To see the other types of publications on this topic, follow the link: Spinodal Decomposition.
Dissertations / Theses on the topic 'Spinodal Decomposition'
Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles
Consult the top 50 dissertations / theses for your research on the topic 'Spinodal Decomposition.'
Next to every source in the list of references, there is an 'Add to bibliography' button. Press on it, and we will generate automatically the bibliographic reference to the chosen work in the citation style you need: APA, MLA, Harvard, Chicago, Vancouver, etc.
You can also download the full text of the academic publication as pdf and read online its abstract whenever available in the metadata.
Browse dissertations / theses on a wide variety of disciplines and organise your bibliography correctly.
1
Izumitani, Tatsuo. "Studies of Spinodal Decomposition of Polymer Blends." 京都大学 (Kyoto University), 2002. http://hdl.handle.net/2433/149438.
Full text
2
Baghsheikhi, Saeed. "Spinodal Decomposition in the Binary Fe-Cr System." Thesis, KTH, Metallografi, 2009. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-37190.
Full textAbstract:
Spinodal decomposition is a phase separation mechanism within the miscibility gap. Its importance in case of Fe-Cr system, the basis of the whole stainless steel family, stems from a phenomenon known as the “475oC embrittlement” which results in a ruin of mechanical properties of ferritic, martensitic and duplex stainless steels. This work is aimed at a better understanding of the phase separation process in the Fe-Cr system. Alloys of 10 to 55 wt.% Cr , each five percent, were homogenized to achieve fully ferritic microstructure and then isothermally aged at 400, 500 and 600oC for different periods of time ranging from 30min to 1500 hours. Hardness of both homogenized and aged samples were measured by the Vickers micro-hardness method and then selected samples were studied by means of Transmission Electron Microscopy (TEM). It was observed that hardness of homogenized samples increased monotonically with increasing Cr content up to 55 wt.% which can be attributed to solution hardening as well as higher hardness of pure chromium compared to pure iron. At 400oC no significant change in hardness was detected for aging up to 1500h, therefore we believe that phase separation effects at 400oC are very small up to this time. Sluggish kinetics is imputed to lower diffusion rate at lower temperatures. At 500oC even after 10h a noticeable change in hardness, for alloys containing 25 wt.% Cr and higher, was observed which indicates occurrence of phase separation. The alloy with 10 wt.% Cr did not show change in hardness up to 200h which suggests that this composition falls outside the miscibility gap at 500oC. For compositions of 15 and 20 wt.% Cr only a small increase in hardness was detected even after 200h of aging at 500oC, which could be due to the small amounts of α´ formed. However, it means that alloys of 15 wt.% Cr and higher are suffering phase separation. For compositions inside the miscibility gap, hardening effect is a result of phase separation either by nucleation and growth or spinodal decomposition. To distinguish between these two mechanisms, TEM studies were performed and we found evidence that at 500oC the Fe-25 wt.% Cr sample decomposes by nucleation and growth while that of 35 wt.% Cr shows characteristics of the spinodal mechanism. For compositions inside the miscibility gap, with increasing Cr content up to 40% the change in hardness generally increased and for 45% and higher it always decreased. This suggests that the composition range corresponding to the spinodal region at 500oC is biased towards the Fe-rich side of the phase diagram. At 600oC only samples of 25, 30 and 35 wt.% Cr were studied because according to the previous studies, the spinodal boundary is most probably located in this composition range. However, no change in hardness was observed even up to 24h. We believe that this means the miscibility line lies below 600oC for alloys containing 35 wt.% Cr and lower. Further investigations are needed to confirm and explain this result.
3
Ullbrand, Jennifer. "Phase field modeling of Spinodal decomposition in TiAlN." Licentiate thesis, Linköpings universitet, Nanostrukturerade material, 2012. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-79611.
Full textAbstract:
TiAlN thin films are used commercially in the cutting tool industry as wear protection of the inserts. During cutting, the inserts are subjected to high temperatures (~ 900 ° C and sometimes higher). The objective of this work is to simulate the material behavior at such high temperatures. TiAlN has been studied experimentally at least for two decades, but no microstructure simulations have so far been performed. In this thesis two models are presented, one based on regular solution and one that takes into account clustering effects on the thermodynamic data. Both models include anisotropic elasticity and lattice parameters deviation from Vegard’s law. The input parameters used in the simulations are ab initio calculations and experimental data.Methods for extracting diffusivities and activation energies as well as Young’s modulus from phase field results are presented. Specifically, strains, von Mises stresses, energies, and microstructure evolution have been studied during the spinodal decomposition of TiAlN. It has been found that strains and stresses are generated during the decomposition i.e. von Mises stresses ranging between 5 and 7.5 GPa are typically seen. The stresses give rise to a strongly composition dependent elastic energy that together with the composition dependent gradient energy determine the decomposed microstructure. Hence, the evolving microstructure depends strongly on the global composition. Morphologies ranging from isotropic, round domains to entangled outstretched domains can be achievedby changing the Al content. Moreover, the compositional wavelength of the evolved domains during decomposition is also composition dependent and it decreases with increasing Al content. Comparing the compositional wavelength evolution extracted from simulations and small angle X-ray scattering experiments show that the decomposition of TiAlN occurs in two stages; first an initial stage of constant wavelength and then a second stage with an increasing wavelength are observed. This finding is characteristic for spinodal decomposition and offers conclusive evidence that an ordering transformation occurs. The Young’s modulus evolution for Ti 0.33 Al 0.67 N shows an increase of 5% to ~398 GPa during the simulated decomposition.
4
Ujihara, Toru. "Nonlinear Effect on Kinetics of Spinodal Decomposition in Alloys." Kyoto University, 2000. http://hdl.handle.net/2433/180965.
Full text
5
Roosmark, Viking. "Modelling of spinodal decomposition in the binary Fe-Cr system." Thesis, KTH, Materialvetenskap, 2016. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-190729.
Full textAbstract:
Spinodal decomposition is a phenomenon which hinders the usage of ferrite containing steels under certain conditions. With a better understanding and knowledge of spinodal decomposition new ferritic and duplex stainless steels could be designed. The project is divided into two parts, an experimental part and a theoretical part. The aim of the theoretical part was to compare simulated values of the amplitude and wavelength of spinodal decomposition, obtained from solving the Cahn-Hilliard equation with other experimental values. The experimental part is performed as to determine the chemical diffusion coefficient and the mobility of Fe and Cr in the binary Fe-Cr system for lower temperatures using the Boltzmann-Matano method from chemical profiles of different samples. Another purpose with the project is to determine if the methods and the approach which are taken is viable and useful for calculating diffusion coefficients and if it can be used in studies to come. The simulations were in good agreement with other data at higher time intervals, but deviates at lower times. The calculated interdiffusion coefficients were in all cases lower than the expected values and as such the conclusion that is drawn is that the methods which are used could need further development.<br>Spinodalt sönderfall är ett fenomen som hindrar användningen av stål som innehåller ferrit under vissa förutsättningar. Med en större förståelse och mer kunskap om spinodalt sönderfall så kan nya ferritiska och duplexa rostfria stål utformas. Projektet är uppdelat i två delar, en experimentell del och en teoretisk del. Syftet med den teoretiska delen var att jämföra simulerade värden av amplituden och våglängden för spinodalt sönderfall, vilka erhölls från att lösa Cahn-Hilliard ekvationen med andra experimentella värden. Den experimentella delen utförs för att bestämma kemiska diffusionskoefficienter för Fe och Cr i det binära Fe-Cr system för lägre temperaturer med hjälp av Boltzmann-Matano metod från kemiska profiler av olika prover. Ett annat syfte med projektet är att ta reda på om de metoder och tillvägagångssätt som tas är livskraftiga och användbara för beräkning av diffusionskoefficienter och om den kan användas i studier framöver. Simuleringarna var i god överensstämmelse med annan experimentel data vid högre tidsintervall, men avviker vid lägre tider. De beräknade Interdiffusion koefficienterna var i samtliga fall lägre än de förväntade värdena och som sådan, dras slutsatsen att de metoder som används kan förbättras.
6
Mainville, Jacques. "A time resolved x-ray study of spinodal decomposition in aluminium-zinc." Thesis, McGill University, 1992. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=39334.
Full textAbstract:
Time resolved small angle x-ray scattering (SAXS) using synchrotron radiation was applied to the study of the kinetics of spinodal decomposition (SD) in an AlZn binary alloy at critical composition quenched into the immiscible region. These millisecond time scale measurements, performed at the National Synchrotron Light Source (Brookhaven National Labs., N.Y.), constitute the first direct experimental verification in a binary alloy of the theory proposed by Langer, Bar-on and Miller in 1975 for SD. A scheme based on the composition distribution functional is proposed to account for the decomposition taking place during the quench. The interatomic mobility, a free energy gradient coefficient and two coefficients that suffice to determine a coarse-grained (intensive) free energy have been obtained in the framework of this theory. The mobilities obtained compare well with tracer diffusion measurements reported in literature. A dependence of the coarse-grained free energy coefficients on the coarse-graining length is found and a procedure is proposed to uniquely choose the values of these coefficients based on the predicted integrated intensity from the equilibrium concentrations and on the measured integrated intensities.<br>Late-stage coarsening regimes were also investigated. In these regimes, growth exponents higher than the value 1/3 predicted by the Lifshitz-Slyozov-Wagner theory are obtained. These higher values, comprised between 0.40 and 0.45 are consistent with predictions that alloys in which elastic effects are important can present a transition regime from a $t sp{1/3}$ growth law to a $t sp{1/2}$ law. The structure factors do not quite scale. They also present a shoulder at high wavevectors, a feature not reported before in metallic alloys.
7
Takenaka, Mikihito. "Scattering Studies of Self-Assembling Processes of Polymer Blends in Spinodal Decomposition." Kyoto University, 1993. http://hdl.handle.net/2433/74617.
Full text
8
Sato, Kaoru. "The development of new TEM approaches for quantification of spinodal decomposition and local segregation." Thesis, University of Cambridge, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.305660.
Full text
9
Pütz, Martin [Verfasser]. "Numerical Studies on Spinodal Decomposition of Liquid-Vapor Systems using Smoothed Particle Hydrodynamics / Martin Pütz." Konstanz : Bibliothek der Universität Konstanz, 2017. http://d-nb.info/1137161655/34.
Full text
10
Murgatroyd, I. J. "TEM/TED studies of spinodal decomposition, atomic ordering and superlattices in group III-V semiconductors." Thesis, University of Oxford, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.379827.
Full text
11
Kojima, Junichi. "Phase behaviors and spinodal decomposition process of polyolefin solutions with supercritical and near-supercritical solvents." 京都大学 (Kyoto University), 2005. http://hdl.handle.net/2433/144523.
Full text
12
Hugues, Jonathan. "Vieillissement thermomécanique d'un acier inoxydable martensitique à durcissement structural." Thesis, Toulouse, INPT, 2014. http://www.theses.fr/2014INPT0068/document.
Full textAbstract:
Les aciers martensitique inoxydables à durcissement structural sont un des matériaux constitutifs des mats réacteurs d'avion. Cette pièce est soumise aussi bien à des contraintes mécaniques qu'à des contraintes thermiques. Cette dernière engendre le vieillissement de ces aciers, du fait de la présence d'une lacune de miscibilité dans le diagramme Fe-Cr. Deux mécanismes sont possibles dans cette lacune de miscibilité, la précipitation d'une phase riche en chrome α' ou une démixtion suivant un mécanisme de décomposition spinodale. Cette thématique est l'objet du projet PREVISIA financé par l'ANR, dont cette thèse fait partie. Des vieillissements ont été effectués sur l'acier 15 5 PH jusqu'à 15 000 h afin d'étudier la cinétique de vieillissement par décomposition spinodale et son effet sur les propriétés mécaniques de l'alliage en traction, résilience et ténacité. Le vieillissement de l'acier engendre ainsi un durcissement et une fragilisation de l'alliage. De plus, des analyses microstructurales ont permis de mettre en lumière les différents stades de vieillissement, qui correspondent aussi bien à la décomposition spinodale qu'à un complément de phase durcissante. La dureté permet aussi bien de suivre le niveau de vieillissement de l'acier que de déterminer les différentes phases de durcissement. L'effet d'une contrainte appliquée tout au long du vieillissement sur la cinétique de vieillissement a été étudié. Une contrainte de type traction semble ainsi augmenter pour des contraintes élevées le durcissement induit par le complément de précipitation de la phase durcissante, mais aussi accélérer le vieillissement sur les temps de vieillissement plus longs. Une analyse multi échelle est ainsi proposée afin d'expliquer ces différents résultats<br>Precipitation hardened martensitic stainless steels are constitutive of aircraft pylons. During there lifetime , these parts are subjected to mechanical loading and work in temperature. This last induces embrittlement of the steels, because of the miscibility gap in the Fe-Cr phase diagram. Two mechanisms are possible to lead to the demixing of the matrix, either precipitation of α', a chromium rich phase, or spinodal decomposition mechanism. This phenomena is the topic of the project PREVISIA, funded by the ANR, this work is part of. Long term agings have been performed on 15 5 PH stainless steel up to 15 000 hours in order to study the aging kinetic and its effect on the mechanical properties in tensile, resilience and toughness. An embrittlement of the alloy is observed. Furthermore, microstructural analyses have been conducted and lead to the definition of different stages of long term aging corresponding to spinodal decomposition and complementary precipitation of hardening phase. Hardness tests is a usefull tool in order to follow the aging and to detect the different stages of aging. The effect of a stress applied during the long term aging has been studied. A tensile stress seems to have an influence on the complementary precipitation of the hardening phase and to increase the rate of hardening. A multi-scale analysise is proposed in order to explain all these results
13
Merkle, Thomas. "The Cahn-Larche system a model for spinodal decomposition in eutectic solder ; modelling, analysis and simulation /." [S.l.] : [s.n.], 2005. http://www.bsz-bw.de/cgi-bin/xvms.cgi?SWB12103659.
Full text
14
Manzanarez, Hervé. "Modélisation et simulation numérique de la dynamique de séparation de phase d’une solution polymère dans le cadre de la formation de membranes poreuses." Thesis, Montpellier, 2017. http://www.theses.fr/2017MONTT159.
Full textAbstract:
Ce travail de thèse vise à modéliser et simuler la séparation de phase d’un système polymère solvant afin de comprendre, prédire et maitriser la dynamique de formation de membranes poreuses. L’équation phénoménologique proposée de Cahn-Hilliard, couplée à un champ de vitesse (Modèle H dans la classification de Hohenberg et Halperin) sera utilisée pour décrire l’inversion de phase induite par un changement de température (procédé TIPS), le système PMMA/cyclohexanol étant pris comme système de référence.Dans un premier temps, nous nous sommes attachés à étudier de façon systématique l’influence du terme de mobilité sur la dynamique de séparation de phase, sans couplage avec l’hydrodynamique en 2D. Un analyse des lois de croissance des structures formées a été réalisée via une analyse des images par transformée de Fourier et une analyse spécifique des patterns a été effectuée via l’analyse originale des descripteurs de Minkowski. Dans une seconde partie de la thèse, nous avons étudié le couplage entre la séparation de phase et l’hydrodynamique, en 2D et 3D. Enfin, nous avons intégré dans une dernière partie le couplage entre la séparation de phase, l’hydrodynamique et les phénomènes de transferts de matière aux interfaces induits notamment par l’évaporation du solvant au cours de la formation d’une membrane<br>The thesis aimed at modeling and simulating the phase separation dynamics of a polymeric system (polymer/solvent or polymer/solvent/non-solvent) for better understanding and controlling the formation mechanisms of porous polymeric membranes. The equation of Cahn and Hilliard (1956)[1] was used and coupled to a hydrodynamic model (H model in the classification of Hohenberg et Halperin (1977)[2]) to simulate the phase inversion in closed system.In a first stage, hydrodynamics was not coupled to Cahn-Hilliard equation and the work focused on the mobility term in the Cahn-Hilliard equation and its influence on the phase separation dynamics (pattern evolution, growth law of the characteristic structures). The patterns were analyzed by Fourier transform and an original analysis was also performed using the Minkowski descriptors.In a second part of the thesis, we coupled the Cahn-Hilliard equations with Navier-Stokes equations and the influence of this coupling on the membrane formation dynamics was investigated.Then, in order to simulate the membrane formation in a context closer to reality, transfer phenomena were simulated at the upper interface of the domain to describe solvent evaporation during demixing process.Finally, the simulations were extended to ternary systems (polymer/solvent/non-solvent) systems since most of industrial polymer membranes involve are prepared from ternary system, with NIPS process (Non-solvent Induced Phase Separation) or dry casting process (differential evaporation between solvent and non-solvent)
15
Lai, Chung-Chuan. "Growth and Phase Stability of Titanium Aluminum Nitride Deposited by High Power Impulse Magnetron Sputtering." Thesis, Linköpings universitet, Plasma och beläggningsfysik, 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-68922.
Full textAbstract:
In this work, we investigate the relation between the diffusion behavior of Ti1-xAlxN at elevated temperatures and the microstructure. Thinfilm samples are synthesized by reactive co-sputtering with two cathodes. One cathode equipped with Ti target is connected to a highpower impulse magnetron sputtering (HiPIMS) power supply, and the other cathode equipped with Al target is operated with a directcurrent power source. The spinodal decomposition of cubic metastable Ti1-xAlxN controlled by thermally activated diffusion is observe fordiffusion behavior. Various HiPIMS pulsing frequencies are used to achieve different microstructure, while altered power applied to Altarget is used to change the Al content in films. In the phase composition analysis achieved by GI-XRD, the right-shift of (111) film peakalong with increasing Al-power is observed. A saturation of the right-shift and h-AlN peaks are also observed at certain Al-power. Thechemical composition determined by ERDA shows trends of reducing Al solubility limit in metastable phase and O contamination upondecreasing the pulsing frequency. More N deficiency is found in samples deposited with higher frequency. In the 500 Hz and 250 Hzsamples deposited into similar composition and thickness, no apparent difference of the microstructure is observed from the SEM crosssectionalimages. From HT-XRD, we observe higher intensity of TiO2 and h-AlN peaks in 500 Hz sample at elevated temperature ascompared with 250 Hz one. From the reduction of O contamination, denser Ti1-xAlxN films are able to be deposited with lower HiPIMSpulsing frequency. In addition, the higher intensity observed in HT-XRD patterns indicates that the 500 Hz sample is more open todiffusion and therefore allows the new formed phases to grow in larger grains.
16
Wang, Changjie. "Polymer Gels: Kinetics, Dynamics Studies and Their Applications as Biomaterials." Thesis, University of North Texas, 2003. https://digital.library.unt.edu/ark:/67531/metadc4379/.
Full textAbstract:
The polymer gels especially hydrogels have a very special structure and useful features such as unusual volume phase transition, compatibility with biological systems, and sensitivity to environmental stimuli (temperature, pH value, electric field, light and more), which lead to many potential applications in physical and biochemical fields. This research includes: (1) the theoretical and experimental studies of polymer gels on swelling kinetics, spinodal decomposition, and solution convection in gel matrix; (2) applications of polymer gels in wound dressing, tissue-simulating optical phantom and gel display. The kinetics of gel swelling has been theoretically analyzed by considering coupled motions of both solvent and polymer network. Analytical solutions of the solvent and the network movement are derived from collective diffusion equations for a long cylindrical and a large disk gel. Kinetics of spinodal decomposition of N-isopropylacrylamide (NIPA) polymer gel is investigated using turbidity and ultrasonic techniques. By probing movement of domains, a possible time-dependent gel structure in the spinodal decomposition region is presented. Theoretical studies of solution convection in gel matrix have been done and more analysis on dimensionless parameters is provided. To enhance the drug uptake and release capacity of silicone rubber (SR), NIPA hydrogel particles have been incorporated into a SR membrane. This SR/NIPA composite gel has promising attributes for wound dressing and other uses. Tissue-simulating optical phantom has been synthesized and studied using NIPA solution trapped inside a hydrogel. Polymer gels with engineered surface patterns were implemented. NIPA gel deposited on the surface of an acrylamide gel can be used as responsive gel display. A dynamically measurement technique of local shear modulus and swelling ratio of gel is presented based on an engineered periodic surface pattern as square array.
17
Testard, Vincent. "Etude par simulations numériques de l'influence de la transition vitreuse sur la séparation de phase liquide-gaz." Thesis, Montpellier 2, 2011. http://www.theses.fr/2011MON20014/document.
Full textAbstract:
Nous réalisons des simulations numériques de décompositions spinodales en dessous de la température de transition vitreuse. Nous étudions l'influence de cette transition sur la séparation de phase liquide-gaz. Ces études ont été motivées pour expliquer un mécanisme de formation de gels à partir de systèmes colloïdaux ayant un potentiel d'attraction à courte portée (systèmes colloïdes/polymères non-adsorbant) mis en évidence lors de récentes expériences mais dont les raisons étaient floues. Nos résultats confirment que la structure des gels est induite par la décomposition spinodale, tandis que l'arrêt de la dynamique due à la transition vitreuse fige le système en une structure bicontinue et empêche la séparation de phase d'arriver à terme. Une étude complète (diagramme des phases, structure, distribution des longueurs, distribution des densités, longueurs caractéristiques, taille des clusters, mécanisme d'évolution) de ces systèmes en fonction du temps, de la température et de la densité est réalisée<br>We realize a numerical study of spinodal decomposition under glass transition. We study the influence of glass transition on liquid-gaz phase separation. Our motivation was to explain a gel formation mecanisim of colloidal systems with short range interaction (colloid/non-adsorbing polymer system) shown in recent experiments. Their authors suggested a mecanisim taht we corroborate in this thesis. Our results confirm that gel structure is shaped by spinodal decomposition, and then glass transition slow dynamics until system get pinned in a bicontinuous structure in one hand, and avoid complete liquid-gas separation in other hand. A complete study (phase diagram, structure, length distributions, density distributions, typical lengths, cluster size, evolution mecanisim) of those systems is done in function of time, temperature and density
18
Forsén, Rikard, M. P. Johansson, Magnus Odén, and Naureen Ghafoor. "Effects of Ti alloying of AlCrN coatings on thermal stability and oxidation resistance." Linköpings universitet, Nanostrukturerade material, 2013. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-93255.
Full textAbstract:
Quaternary cubic (TixCr1 − xAl~ 0.60)1 N1 coatings with 0 < x < 0.33 have been grown using reactive cathodic arc evaporation. When adding Ti the hardness was retained after annealing up to 1100 °C which is a dramatic improvement compared to CrAlN coatings. The coatings showed an age hardening process caused by spinodal decomposition into coherent TiCr- and Al-rich cubic TiCrAlN domains and the formation of hexagonal AlN precipitates and cubic TiCrN domains in the vicinity of the grain boundaries. The improved hardness was attributed to the stabilization of the cubic structure suppressing the formation and growth of hexagonal AlN. Furthermore, the presence of Ti atoms generated incoherent nanometer-sized crystallites within the hexagonal AlN precipitates disrupting the hexagonal lattice during the coarsening process. The addition of Ti promoted the formation of a TiO2 layer over Al2O3 resulting in a lower oxidation resistance. However, by tuning the composition it is possible to design coatings to have both good oxidation resistance and good high temperature mechanical stability.<br><p>Funding Agencies|SSF project Designed multicomponent coatings, MultiFilms||</p>
19
Nag, Soumya. "Influence of Beta Instabilities on the Early Stages of Nucleation and Growth of Alpha in Beta Titanium Alloys." The Ohio State University, 2008. http://rave.ohiolink.edu/etdc/view?acc_num=osu1204570232.
Full text
20
Balois, Thibaut. "Modélisation de croissance de tumeurs : cas particulier des mélanomes." Thesis, Paris Sciences et Lettres (ComUE), 2016. http://www.theses.fr/2016PSLEE033/document.
Full textAbstract:
Le mélanome est un cancer dont la mortalité augmente rapidement avec le temps. Afin d'assurer une détection précoce, des campagnes de sensibilisation ont été menées donnant des critères morphologiques pour le distinguer des grains de beauté. Mais, l'origine des différences d'aspects entre lésions bénignes et malignes reste inconnue. L'objectif est ici de relier les effets des modifications génétiques à l'aspect des tumeurs, en utilisant des outils venus de la physique macroscopique. Les mélanomes ont l'avantage d'être facilement observables et fins, ce qui en font un système idéal. Ce travail commence par rappeler les aspects physiologiques des cancers de la peau. On explique le fonctionnement de la peau saine, puis nous décrivons les différents types de lésions cutanées, et enfin nous donnons un bref aperçu des différents chemins génétiques connus menant au mélanome. Ensuite, nous faisons un rappel des différents modèles mathématiques du cancer. Nous nous attardons sur l'utilisation de la théorie des mélanges comme base théorique de mise en équation des tumeurs. Nous l'appliquons ensuite dans un modèle simplifié à deux phases en deux dimensions. Puis, nous analysons ces équations. Une étude des composantes spatiales montre la possibilité d'un processus de séparation de phases : la décomposition spinodale. L'étude temporelle permet de montrer que ces équations contiennent les ingrédients nécessaires à décrire plusieurs types de mélanomes observés in vivo. Nous terminons par l'étude des effets de la troisième dimension jusqu'alors mis de côté dans le modèle. Nous mettons en équation des mélanomes évoluant sur un épiderme ondulé, au niveau des mains et des pieds<br>Melanoma is a cancer whose mortality grows rapidly with time. In order to insure an early diagnosis, advertising campaigns have emphasized the importance of morphological criteria in order to distinguish moles from melanoma. But, the origins of those criteria are still poorly understood. Our goal is to understand the link between genetic modifications and melanoma patterns using physical tools. As melanoma is easily observable and thin, this makes it an ideal system. This work begins by recalling the physiological aspect of skin cancer. Healthy skin is thoroughly described, then cancerous lesions are depictesd, and melanoma genetic pathways are briefly discussed. Then, continuous mathematical models of cancer are reviewed. We show how mixture theory is used to put cancer into equations. Then, this framework is simplified in a two phases 2D model.Those equations are analysed. The spatial study shows the possibility of a phase separation process: the spinodal decomposition. And, the time study shows thet this model contains the ingredients necessary to describe several melanoma types seen in vivo.Focussing finally on the third dimension. Melanoma evolving on a wavy epidermis (hands and feet skin) are studied. We explain how melanoma patterns should follow the skin ridges (fingerprints)
21
Yamada, Ryo. "Application of Steepest-Entropy-Ascent Quantum Thermodynamics to Solid-State Phenomena." Diss., Virginia Tech, 2018. http://hdl.handle.net/10919/85866.
Full textAbstract:
Steepest-entropy-ascent quantum thermodynamics (SEAQT) is a mathematical and theoretical framework for intrinsic quantum thermodynamics (IQT), a unified theory of quantum mechanics and thermodynamics. In the theoretical framework, entropy is viewed as a measure of energy load sharing among available energy eigenlevels, and a unique relaxation path of a system from an initial non-equilibrium state to a stable equilibrium is determined from the greatest entropy generation viewpoint. The SEAQT modeling has seen a great development recently. However, the applications have mainly focused on gas phases, where a simple energy eigenstructure (a set of energy eigenlevels) can be constructed from appropriate quantum models by assuming that gas-particles behave independently. The focus of this research is to extend the applicability to solid phases, where interactions between constituent particles play a definitive role in their properties so that an energy eigenstructure becomes quite complicated and intractable from quantum models. To cope with the problem, a highly simplified energy eigenstructure (so-called ``pseudo-eigenstructure") of a condensed matter is constructed using a reduced-order method, where quantum models are replaced by typical solid-state models. The details of the approach are given and the method is applied to make kinetic predictions in various solid-state phenomena: the thermal expansion of silver, the magnetization of iron, and the continuous/discontinuous phase separation and ordering in binary alloys where a pseudo-eigenstructure is constructed using atomic/spin coupled oscillators or a mean-field approximation. In each application, the reliability of the approach is confirmed and the time-evolution processes are tracked from different initial states under varying conditions (including interactions with a heat reservoir and external magnetic field) using the SEAQT equation of motion derived for each specific application. Specifically, the SEAQT framework with a pseudo-eigenstructure successfully predicts: (i) lattice relaxations in any temperature range while accounting explicitly for anharmonic effects, (ii) low-temperature spin relaxations with fundamental descriptions of non-equilibrium temperature and magnetic field strength, and (iii) continuous and discontinuous mechanisms as well as concurrent ordering and phase separation mechanisms during the decomposition of solid-solutions.<br>Ph. D.<br>Many engineering materials have physical and chemical properties that change with time. The tendency of materials to change is quantified by the field of thermodynamics. The first and second laws of thermodynamics establish conditions under which a material has no tendency to change; these conditions are called equilibrium states. When a material is not in an equilibrium state, it is able to change spontaneously. Classical thermodynamics reliably identifies whether a material is susceptible to change, but it is incapable of predicting how change will take place or how fast it will occur. These are kinetic questions that fall outside the purview of thermodynamics. A relatively new theoretical treatment developed by Hatsopoulos, Gyftopoulos, Beretta and others over the past forty years extends classical thermodynamics into the kinetic realm. This framework, called steepest-entropy-ascent quantum thermodynamics (SEAQT), combines the tools of thermodynamics with quantum mechanics through a postulated equation of motion. Solving the equation of motion provides a kinetic description of the path a material will take as it changes from a non-equilibrium state to stable equilibrium. To date, the SEAQT framework has been applied primarily to systems of gases. In this dissertation, solid-state models are employed to extend the SEAQT approach to solid materials. The SEAQT framework is used to predict the thermal expansion of silver, the magnetization of iron, and the kinetics of atomic clustering and ordering in binary solid-solutions as a function of time or temperature. The model makes it possible to predict a unique kinetic path from any arbitrary, non-equilibrium, initial state to a stable equilibrium state. In each application, the approach is tested against experimental data. In addition to reproducing the qualitative kinetic trends in the cases considered, the SEAQT framework shows promise for modeling the behavior of materials far from equilibrium.
22
Zhou, Jing. "An Atom-Probe Tomography Study of Phase Separation in Fe-Cr Based Steels." Doctoral thesis, KTH, Metallografi, 2014. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-150796.
Full textAbstract:
Stainless steels are very important engineering materials in a variety of applications such as in the food industry and nuclear power plants due to their combination of good mechanical properties and high corrosion resistance. However, ferrite-containing stainless steels are sensitive to the so-called ‘475°C embrittlement’, which is induced by phase separation of the ferrite phase, where it decomposes into Fe-rich ferrite (α) and Cr-rich ferrite (α'). The phase separation is accompanied with a severe loss of toughness. Therefore, the upper service temperature of ferrite-containing stainless steels in industrial applications has been limited to around 250°. In the present work, Fe-Cr based steels were mainly investigated by atom probe tomography. A new method based on the radial distribution function (RDF) was proposed to quantitatively evaluate both the wavelength and amplitude of phase separation in Fe-Cr alloys from the atom probe tomography data. Moreover, a simplified equation was derived to calculate the amplitude of phase separation. The wavelength and amplitude was compared with evaluations using the auto-correlation function (ACF) and Langer-Bar-on-Miller (LBM) method, respectively. The results show that the commonly used LBM method underestimates the amplitude of phase separation and the wavelengths obtained by RDF shows a good exponential relation with aging time which is expected from the theory. The RDF is also an effective method in detecting the phenomena of clustering and elemental partitioning. Furthermore, atom probe tomography and the developed quantitative analysis method have been applied to investigate the influence of different factors on the phase separation in Fe-Cr based alloys by the help of mainly mechanical property tests and atom probe tomography analysis. The study shows that: (1) the external tensile stress during aging enhances the phase separation in ferrite. (2) Phase separation in weld bead metals decomposes more rapidly than both the heat-affected-zone metals and the base metals mainly due to the high density of dislocations in the welding bead metals which could facilitate the diffusion. (3) The results show that Ni and Mn can enhance the phase separation comparing to the binary Fe-Cr alloy whereas Cu forms clusters during aging. (4) Initial clustering of Cr atoms was found after homogenization. Two factors, namely, clustering of Cr above the miscibility gap and clustering during quenching was suggested as the two responsible mechanisms. (5) The homogenization temperatures significantly influence the evolution of phase separation in Fe-46.5at.%Cr.<br><p>QC 20140910</p><br>Spinodal Project
23
Björström, Svanström Cecilia. "Thin films of polyfluorene:fullerene blends - Morphology and its role in solar cell performance." Doctoral thesis, Karlstad University, Faculty of Technology and Science, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:kau:diva-1243.
Full textAbstract:
<p>The sun provides us daily with large quantities of energy in the form of light. With the world’s increasing demand of electrical energy the prospect of converting this solar light into electricity is highly tempting. In the strive towards mass-production and low cost solar cells, new types of solar cells are being developed, e.g. solar cells completely based on organic molecules and polymers. These materials offer a promising potential of low cost and large scale manufacturing and have the additional advantage that they can be produced on flexible and light weight substrate which opens for new and innovating application areas, e.g. integration with paper or textiles, or as building materials. In polymer solar cells a combination of two materials are used, an electron donor and an electron acceptor. The three dimensional distribution of the donor and acceptor in the active layer of the device, i.e. the morphology, is known to have larger influence of the solar cell performance. For the optimal morphology there is a trade-off between sometimes conflicting criteria for the various steps of the energy conversion process. The dissociation of photogenerated excitons takes place at an interface between the donor and acceptor materials. Therefore an efficient generation of charges requires a large interface between the two components. However, for charge transport and collection at the electrodes, continuous pathways for the charges to the electrodes are required.</p><p>In this thesis, results from morphology studies by atomic force microscopy (AFM) and dynamic secondary ion mass spectrometry (SIMS) of spin-coated blend and bilayer thin films of polyfluorene co-polymers, especially poly[(9,9-dioctylfluorenyl-2,7-diyl)-co-5,5-(4´,7´-di-2-thienyl-2´,1´,3´-benzothiadiazole)] APFO-3, and the fullerene derivative [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) are presented. It is shown that by varying the blend ratio, the spin.-coating solvent, and/or the substrate, different morphologies can be obtained, e.g. diffuse bilayer structures, spontaneously formed multilayer structures and homogeneous blends. The connection between these different morphologies and the performance of solar cells is also analysed. The results indicate that nano-scale engineering of the morphology in the active layer may be an important factor in the optimization of the performance of polymer solar cells.</p>
24
Xiong, Wei. "Thermodynamic and Kinetic Investigation of the Fe-Cr-Ni System Driven by Engineering Applications." Doctoral thesis, KTH, Termodynamisk modellering, 2012. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-96707.
Full textAbstract:
This work is a thermodynamic and kinetic study of the Fe-Cr-Ni system as the core of stainless steels. The Fe-Cr, Fe-Ni and Cr-Ni systems were studied intensively using both computational and experimental techniques, including CALPHAD (CALculation of PHAse Diagrams), phase field simulation, ab initio modeling, calorimetry, and atom probe tomography. The purpose of this thesis is to reveal the complexity of the phase transformations in the Fe-Cr-Ni system via the integrated techniques. Due to the importance of the binary Fe-Cr system, it was fully reassessed using the CALPHAD technique by incorporating an updated description of the lattice stability for Fe down to zero kelvin. The improved thermodynamic description was later adopted in a phase field simulation for studying the spinodal decomposition in a series of Fe-Cr binary alloys. Using atom probe tomography and phase field simulation, a new approach to analyze the composition amplitude of the spinodal decomposition was proposed by constructing an amplitude density spectrum. The magnetic phase diagram of the Fe-Ni system was reconstructed according to the results from both ab initio calculations and reported experiments. Based on the Inden-Hillert-Jarl magnetic model, the thermodynamic reassessment of the Fe-Ni system demonstrated the importance of magnetism in thermodynamic and kinetic investigations. Following this, the current magnetic model adopted in the CALPHAD community was further improved. Case studies were performed showing the advantages of the improved magnetic model. Additionally, the phase equilibria of the Fe-Cr-Ni ternary were discussed briefly showing the need of thermodynamic and kinetic studies at low temperatures. The “low temperature CALPHAD” concept was proposed and elucidated in this work showing the importance of low temperature thermodynamics and kinetics for designing the new generation of stainless steels.<br><p>QC 20120612</p><br>Hero-m
25
Zhou, Jing. "Experimental study of phase separation in Fe-Cr based alloys." Licentiate thesis, KTH, Metallografi, 2013. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-119230.
Full textAbstract:
Duplex stainless steels (DSSs) are important engineering materials due to their combination of good mechanical properties and corrosion resistance. However, as a consequence of their ferrite content, DSSs are sensitive to the so-called ‘475°C embrittlement’, which is induced by phase separation, namely, the ferrite decomposed into Fe-rich ferrite (α) and Cr-rich ferrite (α'), respectively. The phase separation is accompanied with a severe loss of toughness. Thus, the ‘475°C embrittlement’ phenomenon limits DSSs’ upper service temperature to around 250°C. In the present work, Fe-Cr binary model alloys and commercial DSSs from weldments were investigated for the study of phase separation in ferrite. Different techniques were employed to study the phase separation in model alloys and commercial DSSs, including atom probe tomography, transmission electron microscopy and micro-hardness test. Three different model alloys, Fe-25Cr, Fe-30Cr and Fe-35Cr (wt. %) were analyzed by atom probe tomography after different aging times. A new method based on radial distribution function was developed to evaluate the wavelength and amplitude of phase separation in these Fe-Cr binary alloys. The results were compared with the wavelengths obtained from 1D auto-correlation function and amplitudes from Langer-Bar-On-Miller method. It was found that the wavelengths from 1D auto-correlation function cannot reflect the 3D nano-scaled structures as accurate as those obtained by radial distribution function. Furthermore, the Langer-Bar-On-Miller method underestimates the amplitudes of phase separation. Commercial DSSs of SAF2205, 2304, 2507 and 25.10.4L were employed to investigate the connections between phase separation and mechanical properties from different microstructures (base metal, heat-affected-zone and welding bead) in welding. Moreover, the effect of external tensile stress during aging on phase separation of ferrite was also investigated. It was found that atom probe tomography is very useful for the analysis of phase separation in ferrite and the radial distribution function (RDF) is an effective method to compare the extent of phase separation at the very early stages. RDF is even more sensitive than frequency diagrams. In addition, the results indicate that the mechanical properties are highly connected with the phase separation in ferrite and other phenomena, such as Ni-Mn-Si-Cu clusters, that can also deteriorate the mechanical properties.<br><p>QC 20130308</p>
26
Johnson, Lars. "Nanostructuring and Age Hardening in TiSCN, ZrAlN, and TiAlN Thin Films." Licentiate thesis, Linköpings universitet, Tunnfilmsfysik, 2010. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-56221.
Full textAbstract:
This thesis explores nanostructuring in TiSiCN, ZrAlN, and TiAlN thin films deposited by cathodic arc evaporation onto cemented carbide substrates, with intended applications for cutting tools. The three systems were found to exhibit age hardening upon annealing, by different mechanisms, into the superhard regime (≥30 GPa), as determined by a combination of electron microscopy, X-ray diffraction, atom probe tomography, erda, and nanoindentation tech- niques. TiSiCN forms nanocomposite films during growth by virtue of Si segregation to the surface of TiCN nanocrystallites while simultaneously pro- moting renucleation. Thus, the common columnar microstructure of TiCN and low-Si-content (≤5 at. %) TiSiN-films is replaced by a “feather-like” nanos- tructure in high-Si-content (≥10 at. %) TiSiCN films. The presence of C promotes the formation of this structure, and results in an accelerated age hardening beginning at temperatures as low as 700 °C. The thermal stability of the TiSiCN films is, however, decreased compared to the TiSiN system by the loss of Si and interdiffusion of substrate species; C was found to ex- acerbate these processes, which became active at 900 °C. The ZrAlN system forms a two-phase nanostructure during growth consisting of cubic ZrAlN and wurtzite ZrAlN. Upon annealing to 1100 °C, the c-Zr(Al)N portion of the films recovers and semicoherent brick-like w-(Zr)AlN structures are formed. Age hardening by 36 % was obtained before overageing sets in at 1200 °C. As-deposited and annealed solid solution Ti0.33Al0.67N thin films were characterized for the first time by atom probe tomography. The as-deposited film was found to be at the very initial stage of spinodal decomposition, which continued during annealing of the film at 900 °C for 2 h. N preferentially segregates to Al-rich domains in the annealed sample, causing a compositional variation between Ti-rich and Al-rich domains, to maintain the stoichiometry for the developing AlN phase. That effect also compensates for some of the coherency strain formed between cubic domains of TiN and AlN. Finally, a possible Kirkendall effect caused by an imbalance in the metal interdiffusion during the spinodal decomposition was discovered.
27
Zhang, Li. "The study of phase separation in the miscibility gap and ion specific effects on the aggregation of soft matter system." Thesis, Université Paris-Saclay (ComUE), 2016. http://www.theses.fr/2016SACLS106/document.
Full textAbstract:
Le procédé de séparation de phase est importante car elle détermine la structure des matériaux finaux. Il existe de nombreux systèmes qui ont plus d'une phase tels que des mousses et des gels. Les mousses sont des dispersions aqueuses de bulles de gaz dans une phase aqueuse et gels apparaissent lorsque certains microscopique unité de base commence à se rassembler formant un grand réseau solide qui enjambe l'espace macroscopique. Ils ont de nombreuses applications dans l'industrie et la vie quotidienne. Dans cette thèse, tout d'abord, je me concentre sur l'étude de différents types de séparation de phase. Deuxièmement, je étudié les effets spécifiques d'ions sur l'agrégation des particules colloïdales et tensioactif, le but est de faire des mousses stables. Dans la lacune de miscibilité il existe deux types de séparation de phase: la croissance nucléation et la décomposition spinodale, ils ont différents mécanismes et de la cinétique de croissance. Par conséquent, mon premier projet est d'étudier le processus d'évolution d'eux et de leurs effets sur la structure finale du matériau. Les gels peuvent être préparés par l'ajout de sel à la dispersion de particules colloïdales, ils ont un grand nombre d'applications telles que dans les aliments et la science des matériaux. Dans cette thèse, nous utilisons différents types de sels de comparer les propriétés de gel à partir de deux aspects macroscopiques et microscopiques. Obtenir des mousses stables est significatif dans la vue de leur beaucoup d'applications, mais les moyens de les faire sont pour la plupart compliqué. Dans cette thèse, nous pouvons obtenir des mousses stables par l'intermédiaire de deux façons. On est tout simplement en ajoutant des sels de solutions de tensioactifs, à travers lequel nous pouvons faire la mousse ultra-stable. Une autre façon est d'utiliser la phase de gel, nous avons étudié en tant que phase continue dans les mousses à arrêter le vieillissement de la mousse<br>Phase separation process is important as it determines the structure of the final materials. There are many systems that have more than one phase such as foams and gels. Aqueous foams are dispersions of gas bubbles in a water phase and gels appear when some basic microscopic unit starts to aggregate forming a large solid network that spans macroscopic space. They have many applications in industry and daily life. In the present thesis, firstly, I focus on studying different types of phase separation. Secondly, I studied the ion specific effects on the aggregation of colloidal particles and surfactant, the purpose is to make stable foams. In the miscibility gap there are two types of phase separation: Nucleation growth and spinodal decomposition, they have different growth mechanisms and kinetics. Therefore, my first p project is to investigate the evolution process of them and their effects to the final structure of material. Gels can be made by adding salt to the dispersion of colloidal particles, they have a large number of applications such as in food and material science. In this dissertation, we use different types of salts to compare gel properties from both macroscopic and microscopic aspects. Obtaining stable foams is significant in the view of their plenty of applications, but the ways to make them are mostly complicated. In this thesis, we can obtain stable foams via two ways. One is simply by adding salts to surfactant solutions, through which we can make ultrastable foam. Another way is using the gel phase we have studied as the continuous phase in foams to arrest the foam aging
28
Coppari, Gian Marco. "Decomposizione spinodale: analisi del processo e simulazione numerica." Bachelor's thesis, Alma Mater Studiorum - Università di Bologna, 2020. http://amslaurea.unibo.it/21631/.
Full textAbstract:
Il seguente elaborato di tesi è rivolto a dare una descrizione del tutto generale al fenomeno della decomposizione spinodale sulla base dei meccanismi microscopici della diffusione. Attraverso una opportuna correzione della equazione di diffusione di Fick è stata ricavata l'equazione di Cahn-Hilliard, che permette la descrizione corretta del fenomeno diffusivo. Il processo di deduzione dell'equazione passa per la determinazione del profilo di concentrazione all'interfaccia di due fasi come strumento di minimizzazione dell'energia interna del sistema e quindi come procedimento per raggiungere una condizione di equilibrio termodinamico. La soluzione del problema bidimensionale è stata graficata numericamente con un codice in ambiente MATLAB, da cui sono stati ricavati dati a supporto dei risultati teorici dedotti.
29
Couturier, Laurent. "Caractérisation des évolutions microstructurales de l'acier inoxydable martensitique à durcissement structural 15-5PH au cours du vieillissement thermique." Thesis, Grenoble, 2014. http://www.theses.fr/2014GRENI045/document.
Full textAbstract:
L’acier inoxydable martensitique durci par précipitation 15-5PH est utilisé dans le domaine del’aéronautique comme matériau constitutif des pièces liant les réacteurs aux ailes, il est ainsi soumisen utilisation à des températures de l’ordre de 300°C, ce qui entraine sa fragilisation. Cettefragilisation des aciers inoxydables dans ce domaine de températures est causée par la démixtion dufer et du chrome, principaux constituants de la matrice, par décomposition spinodale. De plus, lamicrostructure complexe du 15-5PH contient également des précipités de cuivre assurant ledurcissement initial de l’alliage, de l’austénite de réversion, connue dans ce type d’aciers pourapporter un regain de ductilité, apparaissant lors du traitement de précipitation du cuivre et de laphase G apparaissant au cours du vieillissement. L’évolution de ces phases pourrait égalemententrainer une modification des propriétés mécaniques de l’alliage. Pour observer les différentesévolutions de la microstructure nous avons utilisé une combinaison de techniques apportant desinformations complémentaires afin d’en obtenir une caractérisation la plus complète possible. Nousavons ainsi pu montrer que les modifications de propriétés sont causées par la décompositionspinodale de la matrice. L’évolution de ses caractéristiques microstructurales a pu être décrite pardes lois phénoménologiques, fonctions de la durée et de la température de vieillissement. Nousavons également pu fournir une méthode permettant la mesure indirecte de l’avancée duvieillissement du 15-5PH, validée par les observations microstructurales, ainsi qu’un modèlephénoménologique permettant de prévoir la dureté de l’alliage.Mots clés : acier martensitique, décomposition spinodale, vieillissement, diffusion aux petits angles,sonde atomique tomographique, calorimétrie différentielle à balayage<br>The precipitation hardened martensitic stainless steel grade 15-5PH is used in the airplane industryas constitutive material of parts joining reactors to wings. Due to its application it is subjected totemperatures around 300°C leading to its embrittlement. Stainless steels embrittlement in thistemperature range is due to iron-chromium unmixing by spinodal decomposition. In addition, the 15-5PH grade has a complex microstructure comprising copper precipitates responsible for the initialhardening of the alloy, reversed austenite, known in this kind of steels to improve the toughness,which appears during the precipitation thermal treatment and G phase that precipitates duringaging. The evolutions of these microstructure components could also lead to some modifications ofthe material mechanical properties. In order to study the microstructure evolutions we use acombination of characterization techniques aiming at their most complete description. We show thatthe mechanical properties evolution is controlled by the spinodal decomposition of the matrix whoseevolution we are able to depict by simple phenomenological laws. We propose an indirect methodfor the measurement of aging kinetics of the 15-5PH steel, which we have correlated to directmeasurements, and a phenomenological law allowing the prediction of the alloy hardness based onits thermal history
30
Dinh, Thi Mong Cam. "Influence des conditions d'élaboration sur les transformations de phases dans les couches minces de cobaltites de fer à structure spinelle." Thesis, Toulouse 3, 2019. http://www.theses.fr/2019TOU30090.
Full textAbstract:
Des films minces spinelles de cobaltites de fer Co1,7Fe1,3O4 dont la composition se situe dans la lacune de miscibilité du diagramme de phases CoFe2O4-Co3O4, ont été préparés par pulvérisation cathodique RF au voisinage de la température ambiante. Les films obtenus, dont les épaisseurs de 300 nm ont été fixées, sont constitués de cristallites de diamètre moyen proche de 20 nm. Le traitement à 600 °C pendant plusieurs heures de ces échantillons conduit à la formation de deux phases spinelles, en accord avec le diagramme de phases. Cette transformation a été clairement établie, à la fois par la diffraction des rayons X et la spectroscopie Raman. Dans les cobaltites de fer "massifs" de compositions proches ou identiques, une telle transformation est de type spinodal et se caractérise par une organisation pseudo-périodique à une échelle de quelques dizaines de nanomètres, de phases spinelles riches en fer et riches en cobalt. Dans le but de mettre en évidence cette organisation dans les couches minces, différentes études de microscopie ont été menées. Un procédé de préparation spécifique a même été développé pour découper des lames minces, parallèlement au plan de la couche, par la technique du faisceau d'ions focalisé (FIB). Les cristallites peuvent ainsi être observées et étudiées individuellement. Les analyses n'ont rien révélé cependant, et dans le meilleur des cas, c'est-à-dire pour les cristallites les plus grosses, seule la présence de deux zones de compositions différentes a pu être constatée. L'alternance pseudo-périodique attendue n'a donc pas pu être observée. Il semble ainsi que la taille nanométrique des cristallites empêche l'établissement d'une transformation spinodale telle qu'elle peut être mise en évidence dans les échantillons "massifs". L'observation d'anomalies de composition dans les joints de grains corrobore cette hypothèse qui suggère un effet " nano " sur la transformation de phase. Au cours du présent travail, il a été en outre constaté qu'en plus de la température et du temps de recuit, les conditions de pulvérisation ont également un impact important sur la formation et la décomposition des phases dans les couches minces. Bien que cette étude n'ait pas trouvé les conditions de dépôt qui conduisent directement à la formation de deux phases spinelles dès la pulvérisation, elle montre toutefois que certaines conditions permettent d'écourter les temps de recuit tout en abaissant les températures requises pour effectuer la transformation recherchée. Pour la première fois, des couches de cobaltites de fer ont été soumises à des traitements sous faisceau laser afin de provoquer des transformations de phases en leur sein. Il a été montré que la formation de deux spinelles à partir d'une couche monophasée peut être réalisée dans des temps très courts et sous de faibles puissances, compte tenu probablement d'une élévation rapide et importante de la température locale, due à l'absorption du faisceau laser. Les nombreux paramètres offerts par la machine de photolithogravure mise en œuvre (puissance, vitesse de balayage, incrément du balayage, focalisation...) n'ont pu être explorés de manière exhaustive au cours de cette étude. Cette dernière ne doit donc être considérée que comme un travail préliminaire. Les résultats qu'elle livre sont toutefois prometteurs et font émerger une nouvelle voie de traitement, permettant de réaliser simplement des transformations de phases dans les cobaltites de fer<br>Thin spinel films of Co1.7Fe1.3O4 iron cobaltites, whose composition is in the miscibility gap of the CoFe2O4-Co3O4 phase diagram, were prepared by RF sputtering near room temperature. The films obtained, whose thicknesses were fixed at 300 nm, consist of crystallites with a mean diameter close to 20 nm. The treatment of these samples at 600 °C for several hours leads to the formation of two spinel phases, in agreement with the phase diagram. This transformation was clearly established, both by X-ray diffraction and Raman spectroscopy. In "bulk" iron cobaltites of close or same compositions, such a transformation is of spinodal type and is characterized by a pseudo-periodic organization of rich iron and cobalt-rich spinel phases on a scale of a few tens of nanometers. In order to highlight this organization in the thin films, microscopy studies were carried out. A specific preparation process was even developed in order to cut in-plane thin sections, by the focused ion beam (FIB) technique. Crystallites can thus be observed and studied individually. The analyzes revealed, however, and in the best case (i.e. for the largest crystallites), the presence of only two zones of different compositions. The expected pseudo-periodic alternation could never be observed. It seems that the nanometric size of the crystallites, prevents the spinodal transformation which was highlighted in the "bulk" samples. The observation of local chemical anomalies in grain boundaries corroborates this hypothesis, which suggests a "nano" effect on phase transformation. For the present work, it was furthermore found that in addition to the temperature and the annealing time, the sputtering conditions also have a significant impact on the formation and decomposition of the phases in the thin films. Although this study did not find the deposition conditions that lead directly to the formation of two spinel phases after sputtering, it shows however that certain conditions shorten the annealing times while lowering the temperatures required to perform the targeted transformation. For the first time, iron cobaltite thin films were subjected to laser beam treatments to induce phase transformations within them. It was shown that the formation of two spinels from a single-phase film can be achieved in very short times and at low laser power, probably because of a rapid and high rise of local temperature, due to the absorption of the laser beam. The numerous parameters offered by the photolithography machine used (power, scanning speed, scanning increment, focusing, etc.) could not be exhaustively explored during this study. The latter should therefore be considered only as a preliminary work. The results, however, are promising and seem to bring out a new treatment route, allowing simple phase transformations in iron cobaltites
31
Asp, Grönhagen Klara. "Phase-field modeling of surface-energy driven processes." Doctoral thesis, KTH, Metallografi, 2009. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-11036.
Full textAbstract:
Surface energy plays a major role in many phenomena that are important in technological and industrial processes, for example in wetting, grain growth and sintering. In this thesis, such surface-energy driven processes are studied by means of the phase-field method. The phase-field method is often used to model mesoscale microstructural evolution in materials. It is a diffuse interface method, i.e., it considers the surface or phase boundary between two bulk phases to have a non-zero width with a gradual variation in physical properties such as energy density, composition and crystalline structure. Neck formation and coarsening are two important diffusion-controlled features in solid-state sintering and are studied using our multiphase phase-field method. Inclusion of Navier-Stokes equation with surface-tension forces and convective phase-field equations into the model, enables simulation of reactive wetting and liquid-phase sintering. Analysis of a spreading liquid on a surface is investigated and is shown to follow the dynamics of a known hydrodynamic theory. Analysis of important capillary phenomena with wetting and motion of two particles connected by a liquid bridge are studied in view of important parameters such as contact angles and volume ratios between the liquid and solid particles. The interaction between solute atoms and migrating grain boundaries affects the rate of recrystallization and grain growth. The phenomena is studied using a phase-field method with a concentration dependent double-well potential over the phase boundary. We will show that with a simple phase-field model it is possible to model the dynamics of grain-boundary segregation to a stationary boundary as well as solute drag on a moving boundary. Another important issue in phase-field modeling has been to develop an effective coupling of the phase-field and CALPHAD methods. Such coulping makes use of CALPHAD's thermodynamic information with Gibbs energy function in the phase-field method. With the appropriate thermodynamic and kinetic information from CALPHAD databases, the phase-field method can predict mictrostructural evolution in multicomponent multiphase alloys. A phase-field model coupled with a TQ-interface available from Thermo-Calc is developed to study spinodal decomposition in FeCr, FeCrNi and TiC-ZrC alloys.<br>QC 20100622
32
Dalton, John Christian. "Surface Hardening of Duplex Stainless Steel 2205." Case Western Reserve University School of Graduate Studies / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=case1480696856644048.
Full text
33
Badyka, Romain. "Influence des éléments d'alliage sur la cinétique de vieillissement de la ferrite d'aciers inoxydables austéno-ferritiques moulés." Thesis, Normandie, 2018. http://www.theses.fr/2018NORMR072/document.
Full textAbstract:
Les aciers inoxydables austéno-ferritiques moulés sont utilisés pour certains composants ducircuit primaire des centrales nucléaires de génération II. Aux températures de service (285 °C -325 °C), des modifications de propriétés mécaniques sont observées. Elles sont imputables auxtransformations de phases au sein de la ferrite de ces aciers : la décomposition spinodale (DS) en phaseα (riche en Fe) et α’ (riche en Cr) et la précipitation de la phase G aux interfaces α/α'. S'il est admisque la composition de l’acier influe sur l’évolution des transformations de phase de la ferrite (lesaciers moins riches en Ni et Mo sont moins sensibles au vieillissement), aucune étude, à ce jour, n'apermis de mettre en évidence l'influence du Ni, Mo, Mn et des synergies éventuelles sur levieillissement des aciers ni de déterminer la contribution de la phase G à l'évolution des propriétésmécaniques. Dans cette étude, les cinétiques des transformations de phase de la ferrite d'aciers inoxydable austéno-ferritiques pauvres en Mo et riches en Mo ainsi que de celle d'alliages modèles decomposition ciblée ont été étudiées par sonde atomique tomographique (SAT) et par mesure demicrodureté. Les travaux ont répondu aux trois questions suivantes : - Quantification de la contribution des différentes phases au durcissement : L'utilisation conjointe de modèles de durcissement et des données obtenues par la sonde a montré que, contrairement à ce qui était dit dans la littérature, la phase G est le contributeur majoritaire au durcissement pour les aciers avec Mo. Ce n'est qu'aux temps longs, lorsque la coalescence des particules de phase G intervient et que la DS est plus développée que la contribution de la DS devient prépondérante. Ceci est dû à la forte densité de particules de phase G dans ces aciers. Dans le cas des aciers sans Mo qui contiennent dix fois moins de particules en début de cinétique, la phase G et la DS ont des contributions équivalentes. – Influence du Ni, Mo et Mn : L’étude d’alliage modèles de compositions ciblées a montré que seul le Ni accélère la décomposition spinodale et que le Mn a un rôle prépondérant dans la formation des particules de phase G aux interfaces α/α’. - Efficacité d'un traitement thermique de régénération à 550 °C: Une alternative au remplacement des composants les plus vieillis pourrait être un traitement thermique dit de régénération. Les recuits à 550 °C permettent de restaurer entièrement les aciers sans Mo et partiellement les aciers avec Mo. Ceci est dû au fait que les particules de phase G ne sont pas entièrement dissoutes dans le cas des aciers avec Mo, induisant un durcissement résiduel. Dans tous les cas, la DS est entièrement dissoute<br>Cast austenitic-ferritic stainless steels are used in primary circuit of 2nd generation nuclearpower plants. At operating temperature (285 °C - 325 °C), evolution of mechanical properties isobserved due to the phase transformations occurring within the ferrite: spinodal decomposition (SD)leading to the formation on a Fe rich phase (α) and a Cr rich phase (α ') and the precipitation of the G-phase at α/α' interfaces. This evolution of the mechanical properties can be prohibitive for thecomponents. If it is well known that the steel composition plays an important role on the evolution ofthe properties (steels less rich in Ni and Mo are less sensitive to aging), the role of solute elements asNi, Mo and Mn on the aging kinetics is not yet known so as the contribution of the G-phase on thehardening during the thermal aging. In this study, the aging kinetics of the ferrite of some austenitic-ferritic stainless steels with or without Mo and model alloys with tuned compositions have been studied by atom probe tomography (APT) and by micro hardness measurements. This works answered the three following questions: - Quantification of the contribution of both spinodal decomposition and G-phase precipitation on hardening of the ferrite: combination of hardening models and data obtained with APT permitted to show that G-phase precipitation is clearly the main contributor to ferrite hardness increase at early stage of ageing in Mo-bearing steels. This is due to the high number density of G-phase particles. In Mo-free steels which have ten times less G-phase particles, contributions of both spinodal decomposition and G-phase precipitation are similar. In both cases, when coarsening of G-phase particles occurs and SD is well developed, SD contribution becomes larger. - Influence of Ni, Mo and Mn on aging kinetics: The study of model alloys with tuned composition has shown that only Ni plays a role on SD by enhancing the decomposition. Mn is a key element for the precipitation of G-phase particles at α/α' interfaces. - Efficiency of regeneration heat treatment at 550 °C: an alternative to component replacement is to perform a heat treatment at higher temperature in order to restore the properties of the components. The heat treatments performed permitted to entirely restore the mechanical properties of Mo free steels and partially the properties of Mo bearing ones. This is due to the presence of undissolved G-phase particles in the case of Mo bearing alloys. In each case, SD was totally dissolved
34
Pilemalm, Robert. "TiAlN-based Coatings at High Pressures and Temperatures." Licentiate thesis, Linköpings universitet, Nanostrukturerade material, 2014. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-112213.
Full textAbstract:
TiAlN and TiAlN-based coatings that are used of relevance as protection of cutting tool inserts used in metal machining have been studied. All coatings were deposited by reactive cathodic arc evaporation using industrial scale deposition systems. The metal content of the coatings was varied by using different combinations of compound cathodes. The as-deposited coatings were temperature annealed at ambient pressure and in some cases also at high pressure. The resulting microstructure was first evaluated through a combination of x-ray diffraction and transmission electron microscopy. In addition, mechanical properties such as hardness by nanoindentation were also reported. TiAlN coatings with two different compositions were deposited on polycrystalline boron nitride substrates and then high pressure high temperature treated in a BELT press at constant 5.35 GPa and at 1050 and 1300 °C for different times. For high pressure high temperature treated TiAlN it has been shown that the decomposition is slower at higher pressure compared to ambeint pressure and that no chemical interaction takes place between TiAlN and polycrystalline cubic boron nitride during the experiments. It is concluded that this film has the potential to protect a polycrystalline cubic boron nitride substrate during metal machining due to a high chemical integrity. TiZrAlN coatings with different predicted driving forces for spinodal decomposition were furthermore annealed at different temperatures. For this material system it has been shown that for Zr-poor compositions the tendency for phase separation between ZrN and AlN is strong at elevated temperatures and that after spinodal decomposition stable TiZrN is formed.
35
Verchère, Alexandre. "Génération d’architectures nanométriques intra- et inter-granulaires dans des oxydes pour la conversion thermoélectrique de l’énergie." Thesis, Lyon, 2019. http://www.theses.fr/2019LYSE1196.
Full textAbstract:
Dans ce manuscrit, un travail multidisciplinaire, de la synthèse de précurseurs métalliques à la caractérisation des matériaux est présenté. La première porte sur l’élaboration de poudres d’oxyde TiO2 dopé Nb5+ et d’oxydes mixtes SnO2-TiO2 dopé Nb5+ par une approche Sol-Gel. Leur mise en forme sous forme de pastille par une méthode moderne de frittage flash (SPS) a permis d’étudier leurs propriétés physiques vibrationnelles et thermoélectriques. La deuxième partie de cette étude présente l’élaboration de nouveaux précurseurs d’étain et de tantale adaptés au procédé de dépôt de couches minces par DLI-MOCVD. Afin de répondre aux exigences de ce procédé, des dérivés moléculaires à base de ligand beta-aminoalcool fluoré ou pas ont été élaborées. Les complexes métalliques ont ensuite été entièrement caractérisés à l’état solide et en solution. Le bon comportement thermique (stabilité et volatilité) de certains de ces composés ont conduit à l’élaboration et à la caractérisation de couches minces de SnO2 et SnO2:F<br>In this manuscript, a multidisciplinary work, from the synthesis of metal precursors to the characterization of materials, is presented. The first concerns the development of Nb5+ doped TiO2 oxide powders and Nb5+ doped SnO2-TiO2 mixed oxides by a Sol-Gel approach. Their shaping into a pellet form by a modern flash sintering method (SPS) made it possible to study their physical, vibrational and thermoelectric properties. The second part of this study presents the development of new tin and tantalum precursors adapted to the DLI-MOCVD thin film deposition process. In order to meet the requirements of this process, molecular derivatives based on fluorinated or non-fluorinated beta-aminoalcohol ligand have been developed. The metal complexes were then fully characterized in solid state and in solution. The good thermal behaviour (stability and volatility) of some of these compounds has led to the development and characterization of thin layers of SnO2 and SnO2:F
36
Dahlström, Alexander. "Influence d'une contrainte mécanique sur le vieillissement d'alliages Fe-Cr." Thesis, Normandie, 2019. http://www.theses.fr/2019NORMR039/document.
Full textAbstract:
L’acier inoxydable est un alliage important pour le développement technique d’une société moderne; cela a été découvert au début du 20ème siècle. Cependant, leur système d'alliage de base, Fe-Cr, est affecté par une lacune de miscibilité à basse température (<600 °C) présent dans le diagramme de phases. Les alliages présentant une lacune de miscibilité dans leur diagramme de phase ont tendance à se décomposer. Ce phénomène également connu sous le nom de "fragilisation à 475 °C", est d’une importance technique, car la décomposition modifie les propriétés mécaniques de ces alliages; dans ce cas présente, par la perte de ductilité et de résistance aux chocs. La tendance à la décomposition augmente avec la diminution de la température, ce qui limite la température de service supérieure à environ 300 °C, limitant ainsi la durée de vie de ces alliages. Étant donné que la fragilisation peut provoquer une défaillance soudaine de ces alliages, cet aspect nuit à leur utilisation en tant que composants structurels dans les secteurs du transport et de l’énergie. La décomposition des alliages Fe-Cr pose un défi aux techniques de caractérisation traditionnelles, car les variations de composition se produisent à l'échelle nanométrique. Par conséquent, la sonde atomique tomographique de pointe a été utilisée pour étudier ces variations de composition à l'échelle atomique en 3D. La modélisation atomistique corrélative a été utilisée pour améliorer davantage la compréhension du processus de décomposition dans ces alliages ; ce modèle était basé sur la théorie de la fonction de densité atomique. Pour émuler la décomposition améliorée du matériau, causée par la température et/ou une charge externe, la décomposition dans ce projet est stimulée par une température de service supérieure à la normale. Dont la nécessité de connaître la limite exacte de la lacune de miscibilité. Ainsi, la nécessité d'évaluer la limite supérieure de température de cette décomposition dans le système Fe-Cr est née de résultats non concluants des analyses de la littérature existant. Par conséquent, un four de haute précision en combinaison avec une sonde atomique tomographique a été utilisé pour étudier la décomposition et l’agglomération dans le système Fe-Cr d’une manière plus précise que jamais. En outre, d’explorer en détail l’emplacement de la limite de la lacune de miscibilité. La décomposition de ces alliages au cours du vieillissement modifie les propriétés mécaniques. Ainsi, en raison de leur utilisation en tant que composants structurels, le comportement de décomposition dû au vieillissement a été étudié, ainsi que le vieillissement dû à la charge externe. Cette dernière situation se rencontre également dans des applications réelles pendant le service, émulées par le vieillissement dû à la pression en utilisant une simple force de traction. Afin d'examiner en détail l'effet de la pression externe, l'orientation du grain par rapport à la direction de traction a été prise en compte lors d'un simple vieillissement thermique et lors de l’application d’une force de traction continue. Ainsi, l'orientation cristallographique et les niveaux de charge ont été pris en compte pour leur effet sur le processus de décomposition/dégradation<br>Stainless steel is an important alloy for the technical development of a modern society, they were discovered in the early 20th century. However, their base alloying system, Fe-Cr, is affected by a low temperature (<600°C) miscibility gap present in the phase diagram. Alloys with a miscibility gap in their phase diagram tend to decompose. This phenomenon is also known as the “475°C embrittlement”, it is of technical importance as decomposition alters the mechanical properties of these alloys, in this specific case, by loss of ductility and impact toughness. The tendency to decompose increases with decreasing temperature, restricting the upper service temperature to around 300°C and limiting the service lifetime of these alloys. Because embrittlement can cause sudden failure of these alloys, this phenomenon is detrimental to their use as structural components in transportation and energy industry. The decomposition of Fe-Cr alloys poses a challenge for traditional characterisation techniques, as composition variations occur at the nanoscale. Therefore, the state-of-the-art atom probe tomography have been utilised to study these composition variations at the atomic scale in 3D. Correlative atomistic modelling has been used to further enhance the understanding of the decomposition process in these alloys, this model was based on atomic density function theory. To emulate enhanced decomposition of the material, caused by temperature and/or an external load, decomposition in this work is stimulated by a higher than the normal service temperature. Hence, a need to know the exact limit of the miscibility gap. Thus, a need to evaluate the upper-temperature limit of this decomposition in the Fe-Cr system arose from inconclusive results in the literature. Hence, a high precision furnace in combination with atom probe was utilised to study decomposition and clustering in the Fe-Cr system more accurately than ever before. Furthermore, to explore in detail the location of the limit of the miscibility gap. The decomposition of these alloys during ageing alter the mechanical properties. Thus, due to their use as structural components, the decomposition behaviour during ageing was investigated, as well as ageing during external load. This last situation is also encountered in real applications during service, mimicked by stress-ageing using a simple tensile force. In order to in detail investigate the effect of the external stress, grain orientation with respect to the tensile direction was considered during simple thermal ageing, and during the constantly applied tensile force. Thus, crystallographic orientation and load levels were considered for their effect on the decomposition process
37
Alling, Björn. "Configurational and Magnetic Interactions in Multicomponent Systems." Doctoral thesis, Linköpings universitet, Teoretisk Fysik, 2010. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-60446.
Full textAbstract:
This thesis is a theoretical study of configurational and magnetic interactions in multicomponent solids. These interactions are the projections onto the configurational and magnetic degrees of freedom of the underlying electronic quantum mechanical system, and can be used to model, explain and predict the properties of materials. For example, the interactions govern temperature induced configurational and magnetic order-disorder transitions in Heusler alloys and ternary nitrides. In particular three perspectives are studied. The first is how the interactions can be derived from first-principles calculations at relevant physical conditions. The second is their consequences, like the critical temperatures for disordering, obtained with e.g. Monte Carlo simulations. The third is their origin in terms of the underlying electronic structure of the materials. Intrinsic defects in the half-Heusler system NiMnSb are studied and it is found that low-energy defects do not destroy the important half-metallic property at low concentrations. Deliberate doping of NiMnSb with 3d-metals is considered and it is found that replacing some Ni with extra Mn or Cr creates new strong magnetic interactions which could be beneficial for applications at elevated temperature. A self-consistent scheme to include the effects of thermal expansion and one-electron excitations in the calculation of the magnetic critical temperature is introduced and applied to a study of Ni1−xCuxMnSb. A supercell implementation of the disordered local moments approach is suggested and benchmarked for the treatment of paramagnetic CrN as a disordered magnetic phase. It is found that the orthorhombic-to-cubic phase transition in this nitride can be understood as a first-order magnetic order-disorder transition. The ferromagnetism in Ti1−xCrxN solid solutions, an unusual property in nitrides, is explained in terms of a charge transfer induced change in the Cr-Cr magnetic interactions. Cubic Ti1−xAlxN solid solutions displays a complex and concentration dependent phase separation tendency. A unified cluster expansion method is presented that can be used to simulate the configurational thermodynamics of this system. It is shown that short range clustering do influence the free energy of mixing but only slightly change the isostructural phase diagram as compared to mean-field estimates.
38
Zhang, Steven. "Formation Mechanism and Computational Modelling of Isle of Rum Plagioclase Stellates." Thèse, Université d'Ottawa / University of Ottawa, 2013. http://hdl.handle.net/10393/24068.
Full textAbstract:
We propose a hypothesis and a numerical model for the formation of branching plagioclase textures visible at both macroscopic (∼cm to ∼m) and microscopic scale within melagabbro of the Isle of Rum, Scotland, based on macroscopic, microscopic observations and relevant geological history. The plagioclase crystals are typically linked as twins and form meshes of planar stellate structures (m-scale) with a large range in geometrical organization from patchy to radiating. Evidence of macroscopic crystal aggregation and alignment is attributed to interfacial free energy minimization at the microscopic scale during growth. Accordingly, a binary immiscible Lattice Boltzmann model was developed to simulate diffusion of simplified plagioclase in the melt phase. Isothermal phase transitions modelled via first order chemical reactions are subsequently coupled with stochastic dynamics at the crystal growth front to simulate energy minimization processes including twinning during crystallization in an igneous environment. The solid phase and the liquid phase are coupled with a temporal flexibility that sets the overall ratio between the rate of diffusion and chemical enrichment in the liquid state and the rate of crystallization. The parameter space of the model is explored extensively, followed by a reasonable transcription of physical parameters and an estimation of other parameters to construct realistic simulation scenarios yielding synthetic plagioclase stellates.
The results are presented, analyzed and discussed. They appear to be in reasonable qualitative agreement with observations, and several aspects of the natural stellates such as the stellate spacing and long continuous stretches of plagioclase with epitaxial junctions seem to be in reasonable quantitative agreement with observations.
39
TABACARU, GABRIEL. "Signature fossile d'une decomposition spinodale dans la multifragmentation de systemes nucleaires tres lourds." Paris 11, 2000. http://www.theses.fr/2000PA112268.
Full textAbstract:
Une description dynamique du processus de multifragmentation montre que si le systeme nucleaire forme lors de la collision se trouve dans le domaine des basses densites pendant un temps assez long, les instabilites mecaniques generees vont conduire a la decomposition spinodale du systeme. Le systeme choisi afin de prouver experimentalement cette hypothese a ete xe+sn a 32 mev/a d'energie incidente mesure avec le multidetecteur indra. Les qualites remarquables de detection du multidetecteur ont ete exploitees au maximum en developpant des techniques tres performantes pour l'etalonnage en energie des detecteurs silicium et des scintillateurs csi(t1). Pour la premiere fois la contribution des electrons delta dans le bilan de la lumiere emise par scintillateur a ete prise en compte de facon quantitative. Les evenements de multifragmentation d'un systeme constitue par la quasi-totalite des nucleons de la voie d'entree ont ete selectionnes a l'aide de criteres concernant la detection complete et la forme de l'evenement. Le modele dynamique bob, ou les instabilites spinodale sont simulees d'une facon assez realiste, reproduit bien l'ensemble des observables dynamiques et statiques. Des comparaisons plus exclusives ont ete realisees pour contraindre toujours plus le modele. Les correlations en vitesse reduite des fragments ont ete etudiees. Des informations sur la topologie de fragments au freeze-out ont ete extraites. Les correlations en charge des fragments ont montre l'existence d'une faible proportion des evenements (0. 1 pour-cent) caracterises par une emission de fragments de taille egale. Cela a ete interprete par comparaison au modele comme une signature fossile de la decomposition spinodale dans un systeme fini et comme une preuve indirecte, a travers l'existence d'une zone de coexistence (de type liquide-gaz), d'une transition de phase du premier ordre associee a la multifragmentation des noyaux chauds.
40
Drbohlav, Otakar. "Matériaux magnétiques nanocristallins métastables à base de fer et de cuivre." Grenoble INPG, 1995. http://www.theses.fr/1995INPG0132.
Full textAbstract:
L'objectif de cette these etait de contribuer a l'etude et au developpement des phases et des materiaux metastables nanocristallins ferromagnetiques a base de fer et de cuivre. La formation des solutions solides cufe metastables par mecanosynthese est precedee par une nanocristallisation des constituants vers une taille de grains de 10 a 20 nm. Pour la decomposition de cette solution solide nanocristalline nous avons considere deux mecanismes de retour a l'equilibre: la decomposition spinodale et la germination et croissance. Nous avons pu mettre en evidence que seule une modelisation basee sur la decomposition spinodale est capable de simuler l'ensemble des mesures obtenus y compris le comportement de l'aimantation saturee lors de la decomposition. La solidification rapide des solutions liquides cufe n'a pas permis de retenir le fer en solution mais elle a conduit a retenir une fraction volumique importante de particules de fer- (cfc) de taille micrometrique ou millimetrique a temperature ambiante. Par ailleurs il a ete decouvert que l'addition de bore favorise la formation et la retenue de fer- dans une matrice de cuivre. Ceci conduit a la preparation de quantites considerables de fer- et constitue une nouvelle methode de preparation de fer- metastable. Dans les amorphes de type finemet et fe-zr-b nous avons suivi l'influence de l'addition de cuivre sur la germination du fe-. Nous avons demontre que son role different dans les deux types d'alliages est du aux differentes interactions entre le cu et les constituants des phases amorphes, notamment zr et nb. Le modele de la nanocristallisation base sur le developpement de gradients de concentration nous a conduit a postuler l'existence d'un maximum dans la courbe de temperature de curie t#c de la phase amorphe residuelle en fonction du temps de recuit
41
Gastaud, René. "Mise au point d'un système de traitement d'images : application à l'étude des mélanges binaires critiques hors d'équilibre." Paris 6, 1986. http://www.theses.fr/1986PA066345.
Full textAbstract:
Mise au point d'un système numérique de traitement d'images peu onéreux avec un microordinateur Victor S1 et une carte de numérisation d'images Mid. Application à l'étude du changement de phase de mélanges binaires de fluides du type hexane-nitrobenzène, cyclohexane-méthanol.
42
Renaux, Jeoffrey. "Ιnfluence de l'austénite et des impuretés sur le vieillissement thermique de la ferrite des aciers inοxydables austénο-ferritiques". Electronic Thesis or Diss., Normandie, 2024. http://www.theses.fr/2024NORMR026.
Full textAbstract:
Les aciers austéno-ferritiques utilisés dans la conception de diverses pièces moulées (valves, corps de pompe, etc.) du circuit primaire principal des centrales nucléaires de 2ème génération présentent une évolution de leurs propriétés mécaniques aux températures de service comprises entre 285 °C et 325 °C. Ces alliages biphasés, qui combinent la ferrite et l’austénite, vont présenter un durcissement microstructural qui se produit au sein de la ferrite. Ce durcissement est lié à deux transformations de phases comprenant, d’une part, la décomposition spinodale en une phase α riche en Fe et une phase α’ riche en Cr, et d’autre part, la formation de phase G riche en éléments d’alliage Ni, Si, Mn, Mo. Alors que les aciers austéno ferritiques contenant du Mo présentent un durcissement plus important que les aciers sans Mo, l’observation d’un acier purement ferritique contenant du Mo présentait, au contraire, un durcissement moins important en raison de l'absence de précipitation de la phase G. Cette étude avait pour objectif de comprendre l’influence de l’austénite sur le vieillissement de la ferrite, qui était l’hypothèse principale avancée, pour expliquer la raison du durcissement moins important de l’acier purement ferritique. Pour parvenir à confronter cette hypothèse, l’utilisation d’une méthode électrochimique a permis la dissolution sélective de l’austénite pour obtenir une ferrite sans austénite, de même composition, morphologie et histoire thermo-mécanique que la ferrite avec austénite. L’étude par sonde atomique tomographique de l’évolution microstructurale de ces deux ferrites, ainsi que celle d’un acier purement ferritique pour une condition de vieillissement de 1 000 h à 400 °C, a permis l’étude et la compréhension des points suivant :- Les résultats ont montré que la présence d'austénite induit des contraintes résiduelles de compression sur la ferrite, qui ne sont pas la cause du vieillissement plus rapide des aciers austéno-ferritiques, puisqu’aucune différence significative de microstructure n’était observable entre les ferrites avec et sans austénite.- La caractérisation de l’effet du gradient de composition Cr/Ni à proximité des interfaces α/γ sur l’évolution microstructurale de la ferrite a été réalisée. L’évolution des concentrations en Cr et Ni vers les interfaces α/γ n’impacte pas la décomposition spinodale mais affecte la formation de la phase G, avec comme principal effet une forte diminution de la densité de nanoparticules vers les interfaces α/γ.- Les contraintes résiduelles étant hors de cause, l’hypothèse d’un effet de la composition chimique a été envisagé. Ainsi, les résultats ont montré que la densité numérique des particules de phase G est fortement corrélée à la concentration en impuretés de la ferrite. L’absence d’impuretés dans l’alliage ferritique semble expliquer l’absence de nanoparticules de phase G aux interdomaines α/α’ et donc le vieillissement moindre de l'alliage ferritique<br>Austeno-ferritic steels used in the design of various cast components (valves, pump bodies, etc.) in the primary circuit of second-generation nuclear power plants exhibit changes in their mechanical properties at service temperatures between 285°C and 325°C. These two-phase alloys, which combine ferrite and austenite, exhibit a microstructural hardening that occurs within the ferrite. This hardening is associated with two phase transformations, including, firstly, spinodal decomposition into an α phase rich in Fe and an α' phase rich in Cr, and secondly, the formation of a G phase rich in alloying elements Ni, Si, Mn, Mo. While austeno-ferritic steels containing Mo present a greater hardening than steels without Mo, the observation of a purely ferritic steel containing Mo, on the contrary, showed less hardening due to the absence of G phase precipitation. The aim of this study was to understand the influence of austenite on the aging of ferrite, which was the main hypothesis put forward to explain the reason for the lesser hardening of purely ferritic steel. To confront this hypothesis, the use of an electrochemical method allowed for the selective dissolution of austenite to obtain austenite-free ferrite, with the same composition, morphology, and thermo-mechanical history as the ferrite with austenite. The study by atom probe tomography of the microstructural evolution of these two ferrites, as well as that of a purely ferritic steel under aging conditions of 1,000 hours at 400°C, allowed for the investigation and understanding of the following points:- The results showed that the presence of austenite induces residual compressive stresses on the ferrite, which are not the cause of the enhanced aging of austeno-ferritic steels, as no significant difference in microstructure was observable between ferrites with and without austenite.- The characterization of the effect of the Cr/Ni composition gradient near the α/γ interfaces on the microstructural evolution of ferrite was conducted. The evolution of Cr and Ni concentrations towards the α/γ interfaces does not impact the spinodal decomposition but affects the formation of the G phase, with the main effect being a significant decrease in nanoparticle density towards the α/γ interfaces.- As residual stresses are not the cause of the difference in aging between purely ferritic and austeno-ferritic steels, the hypothesis of a chemical composition effect was considered. The results showed that the number density of G phase particles is strongly correlated with the impurity concentration in the ferrite. The absence of impurities in the ferritic alloy appears to explain the absence of G phase nanoparticles at the α/α’ interdomains and thus the lesser aging of the ferritic alloy
43
Maetz, Jean-Yves. "Évolution de la microstructure d’un acier inoxydable lean duplex lors du vieillissement." Thesis, Lyon, INSA, 2014. http://www.theses.fr/2014ISAL0008/document.
Full textAbstract:
Les aciers inoxydables lean duplex sont une famille d'aciers austéno-ferritiques allégés en nickel et en molybdène, qui s'est développée à la fin des années 1990. Le compromis propriétés mécaniques, propriétés de résistance à la corrosion et coût de matière première place cette famille comme une alternative intéressante aux aciers austénitiques standards, et en particulier aux 304/304L qui représentent actuellement les deux tiers de la production d'acier inoxydable. Cependant, cette famille étant relativement récente, la stabilité en température des aciers lean duplex a été relativement peu étudiée, en particulier lors de maintiens prolongés en température. Dans le cadre de cette thèse, l'évolution microstructurale d'un acier lean duplex 2101 a été étudiée, lors de vieillissements isothermes à des températures comprises entre 20 °C et 850 °C, pour des temps s'échelonnant de quelques minutes à plusieurs mois. Les cinétiques de vieillissement ont été suivies par mesures de pouvoir thermoéléctrique (PTE), à partir desquelles des états vieillis ont été sélectionnés pour être caractérisés par microscopie électronique et par sonde atomique tomographique. A des températures intermédiaires de 350 – 450 °C, la ferrite de l'acier lean duplex 2101 est sujette à la démixtion Fe-Cr et à la formation d'amas enrichis en Ni-Mn-Si-Al-Cu, malgré les faibles teneurs en nickel de cette nuance. Ces phénomènes sont détectés par une forte augmentation du PTE. Pour des températures plus élevées, à 700 °C environ, une approche multi-techniques et multi-échelles a permis de décrire précisément les mécanismes qui régissent les différentes évolutions microstructurales : la germination et la croissance de M23C6 et de Cr2N, observés dès quelques minutes de vieillissement aux joints de phases, la précipitation de la phase σ pour des temps de vieillissement plus importants qui s'accompagne d'une transformation de la ferrite δ en austénite secondaire γ2, et la transformation partielle de l'austénite en martensite lors du refroidissement des échantillons vieillis. L'effet des différentes phases sur le PTE de l'acier lean duplex peut être décrit qualitativement lors du vieillissement par une loi des mélanges<br>Lean duplex stainless steels are austeno-ferritic steels with lower nickel and molybdenum contents, developed in the late 90's. Considering mechanical properties, corrosion resistance and cost of raw material, this family is an interesting alternative to standard austenitic stainless steels, which currently represent two thirds of stainless steel production. However, lean duplex steels are relatively recent and their thermal stability has been relatively little studied, especially during long term aging. In this study, the microstructural evolution of a lean duplex steel 2101 was studied during isothermal aging at temperatures between 20 °C and 850 °C, from few minutes to several months. Aging kinetics were followed by thermoelectric power measurements (TEP), from which aged states were selected to be characterized by electron microscopy and atom probe tomography. At intermediate temperatures of 350 - 450 °C, Fe-Cr demixing and precipitation of Ni-Mn-Al-Si-Cu occur in the ferrite despite the low nickel content of this grade, leading to an increase in the TEP. For higher temperatures, at about 700 °C, the mechanisms which govern the different microstructural evolutions have been described by a multi-scale approach: the nucleation and growth of M23C6 and Cr2N, observed from few minutes of aging and the σ phase precipitation, observed for longer aging time. The latter is accompanied by a transformation of δ ferrite in γ2 secondary austenite, and by the partial transformation of austenite into martensite during cooling. The effect of different phases on the TEP of the lean duplex steel can be qualitatively described during aging by a rule of mixture
44
Nós, Rudimar Luiz. "\"Simulações de escoamentos tridimensionais bifásicos empregando métodos adaptativos e modelos de campo fase\"." Universidade de São Paulo, 2007. http://www.teses.usp.br/teses/disponiveis/45/45132/tde-08052007-143200/.
Full textAbstract:
Este é o primeiro trabalho que apresenta simulações tridimensionais completamente adaptativas de um modelo de campo de fase para um fluido incompressível com densidade de massa constante e viscosidade variável, conhecido como Modelo H. Solucionando numericamente as equações desse modelo em malhas refinadas localmente com a técnica AMR, simulamos computacionalmente escoamentos bifásicos tridimensionais. Os modelos de campo de fase oferecem uma aproximação física sistemática para investigar fenômenos que envolvem sistemas multifásicos complexos, tais como fluidos com camadas de mistura, a separação de fases sob forças de cisalhamento e a evolução de micro-estruturas durante processos de solidificação. Como as interfaces são substituídas por delgadas regiões de transição (interfaces difusivas), as simulações de campo de fase requerem muita resolução nessas regiões para capturar corretamente a física do problema em estudo. Porém essa não é uma tarefa fácil de ser executada numericamente. As equações que caracterizam o modelo de campo de fase contêm derivadas de ordem elevada e intrincados termos não lineares, o que exige uma estratégia numérica eficiente capaz de fornecer precisão tanto no tempo quanto no espaço, especialmente em três dimensões. Para obter a resolução exigida no tempo, usamos uma discretização semi-implícita de segunda ordem para solucionar as equações acopladas de Cahn-Hilliard e Navier-Stokes (Modelo H). Para resolver adequadamente as escalas físicas relevantes no espaço, utilizamos malhas refinadas localmente que se adaptam dinamicamente para recobrir as regiões de interesse do escoamento, como por exemplo, as vizinhanças das interfaces do fluido. Demonstramos a eficiência e a robustez de nossa metodologia com simulações que incluem a separação dos componentes de uma mistura bifásica, a deformação de gotas sob cisalhamento e as instabilidades de Kelvin-Helmholtz.<br>This is the first work that introduces 3D fully adaptive simulations for a phase field model of an incompressible fluid with matched densities and variable viscosity, known as Model H. Solving numerically the equations of this model in meshes locally refined with AMR technique, we simulate computationally tridimensional two-phase flows. Phase field models offer a systematic physical approach to investigate complex multiphase systems phenomena such as fluid mixing layers, phase separation under shear and microstructure evolution during solidification processes. As interfaces are replaced by thin transition regions (diffuse interfaces), phase field simulations need great resolution in these regions to capture correctly the physics of the studied problem. However, this is not an easy task to do numerically. Phase field model equations have high order derivatives and intricate nonlinear terms, which require an efficient numerical strategy that can achieve accuracy both in time and in space, especially in three dimensions. To obtain the required resolution in time, we employ a semi-implicit second order discretization scheme to solve the coupled Cahn-Hilliard/Navier-Stokes equations (Model H). To resolve adequatly the relevant physical scales in space, we use locally refined meshes which adapt dynamically to cover special flow regions, e.g., the vicinity of the fluid interfaces. We demonstrate the efficiency and robustness of our methodology with simulations that include spinodal decomposition, the deformation of drops under shear and Kelvin-Helmholtz instabilities.
45
Colignon, Yann. "Etude par sonde atomique tomographique de la décomposition spinodale dans le système Fe-Cr en couches minces." Thesis, Aix-Marseille, 2015. http://www.theses.fr/2015AIXM4359.
Full textAbstract:
Les cinétiques de décomposition dues à la présence d'une lacune de miscibilité dans le système Fe-Cr sont généralement étudiées dans des alliages Fe-Cr massifs pour lesquels la décomposition se déroule en 3 dimensions. Nous avons étudié les cinétiques de décomposition spinodale dans des couches minces Fe-Cr. Ces couches minces comportent une oscillation de composition de Cr dont le vecteur d'onde est perpendiculaire à la surface de l'échantillon. La décomposition de l'alliage a alors pour conséquence d'augmenter l'amplitude de l'oscillation au cours d'un recuit et donc d'engendrer une décomposition selon une seule dimension. Des échantillons comportant des oscillations de différentes longueurs d'onde ont ainsi été conçus. Des recuits à 500°C sur ces échantillons ont été analysés par sonde atomique tomographique. Ces résultats ont ensuite été comparés à des simulations AKMC et en champ moyen. Des recuits à 500°C d'un échantillon comportant une oscillation de composition d'une longueur d'onde de 22nm ont montré une diminution inattendue de l'amplitude de l'oscillation. Des recuits à 500°C d'un échantillon comportant une oscillation de composition d'une longueur d'onde de 6nm ont montré plusieurs comportements de l'oscillation de composition. En effet, l'oscillation s'est amplifiée par endroits alors qu'elle s'amortie ou encore évolue peu à d'autres. La présence d'O et de joints grains dans les couches minces peuvent rendre compte de ces différents comportements<br>Decomposition kinetics due to the presence of a miscibility gap in the Fe-Cr system are generally studied in Fe-Cr bulk alloys for which the decomposition occurs in three dimensions. We studied the spinodal decomposition kinetics in Fe-Cr thins films. These thin films have a Cr composition oscillation whose wave vector is perpendicular to the sample surface. The decomposition of the alloy lead an increase of the oscillation amplitude during annealing and thus generate a decomposition in a single dimension. Samples having different oscillation wavelengths have been designed. Annealing treatments at 500°C of these samples were analyzed by atom probe tomography. These results were then compared to AKMC and mean field simulations. Annealing treatments at 500°C of a sample having a composition oscillation with a 22nm wavelength showed an unexpected decrease in oscillation amplitude. Annealing treatments at 500°C of a sample having a composition oscillation with a 6nm wavelength showed several behavior of the composition oscillation. Indeed, the oscillation amplifies by places while damps or changes very little in other places. The presence of O and grain boundaries in thin films may explain these different behaviors
46
Plapp, Mathis. "Etude de la dynamique microscopique de quelques modeles de gaz sur reseau en approximation de champ moyen : dynamique d'interfaces, croissance dendritique et decomposition spinodale." Paris 11, 1997. http://www.theses.fr/1997PA112205.
Full textAbstract:
Nous etudions la dynamique microscopique de quelques modeles de gaz sur reseau. Nous developpons une equation cinetique pour les probabilites d'occupation locales par une approximation du type champ moyen de l'equation maitresse microscopique. Cette equation, qui a la forme d'une equation de cahn-hilliard generalisee, est ensuite appliquee a l'etude de la dynamique d'interfaces dans des systemes hors de l'equilibre. Nous montrons qu'il est possible d'obtenir de la croissance dendritique dans un simple modele binaire. Nous calculons la tension de surface ainsi que son anisotropie, et nous montrons que celle-ci est le facteur determinant la selection des directions de croissance. Ensuite, nous analysons la dynamique d'interfaces planes. Nous introduisons une approximation continue qui permet d'obtenir des expressions analytiques pour les coefficients cinetiques associes au mouvement de l'interface. Nous etudions l'influence du reseau sur la dynamique et comparons nos resultats a des simulations numeriques. Nous etudions egalement la decomposition spinodale d'un melange binaire par un mecanisme lacunaire. Nos simulations montrent l'existence de modes de surface dans une interface entre un melange instable et une vapeur stable. Ces modes engendrent des structures regulieres aux surfaces de gouttes du melange. Nous calculons les taux de croissance des modes de surface et de volume et nous en deduisons les echelles caracteristiques des structures ordonnees. Finalement, nous presentons quelques resultats concernant la dynamique de grossissement en presence d'une faible quantite de lacunes.
47
Triki, Abdelhafid. "Relation entre la démixtion et les propriétés mécaniques d'alliages Fe-Cr concentrés." Grenoble INPG, 1990. http://www.theses.fr/1990INPG0055.
Full textAbstract:
La demixtion des alliages fecr par traitement thermique, en deux phases coherentes riches respectivement en fe et cr, s'accompagne d'une forte augmentation de la limite elastique. La demixtion est d'abord etudiee par microscopie electronique et diffusion de neutrons aux petits angles, puis l'influence de cette demixtion sur les proprietes mecaniques est etudiee par tests mecaniques macroscopiques, observation en microscopie d'echantillons deformes, et deformation in situ en microscopie electronique a transmission. Enfin, le durcissement observe est interprete. Les modeles existants, tenant compte essentiellement des effets elastiques, sont en bon accord avec l'alliage a 20% cr ou la demixtion se fait par germination-croissance. Dans le cas des 35% et 50% cr au contraire, qui demixtent par decomposition spinodale, les modeles de la litterature ne tiennent pas compte de l'effet de desordre chimique du au cisaillement par les dislocations. Cette contribution chimique est estimee, et complete les effets elastiques pour donner un bon accord avec l'experience
48
Ornek, Cem. "Performance characterisation of duplex stainless steel in nuclear waste storage environment." Thesis, University of Manchester, 2016. https://www.research.manchester.ac.uk/portal/en/theses/performance-characterisation-of-duplex-stainless-steel-in-nuclear-waste-storage-environment(4db73e9b-c87c-40a6-9778-0b823b1c499f).html.
Full textAbstract:
The majority of UK’s intermediate level radioactive waste is currently stored in 316L and 304L austenitic stainless steel containers in interim storage facilities for permanent disposal until a geological disposal facility has become available. The structural integrity of stainless steel canisters is required to persevere against environmental degradation for up to 500 years to assure a safe storage and disposal scheme. Hitherto existing severe localised corrosion observances on real waste storage containers after 10 years of exposure to an ambient atmosphere in an in-land warehouse in Culham at Oxfordshire, however, questioned the likelihood occurrence of stress corrosion cracking that may harm the canister’s functionality during long-term storage. The more corrosion resistant duplex stainless steel grade 2205, therefore, has been started to be manufactured as a replacement for the austenitic grades. Over decades, the threshold stress corrosion cracking temperature of austenitic stainless steels has been believed to be 50-60°C, but lab- and field-based research has shown that 304L and 316L may suffer from atmospheric stress corrosion cracking at ambient temperatures. Such an issue has not been reported to occur for the 2205 duplex steel, and its atmospheric stress corrosion cracking behaviour at low temperatures (40-50°C) has been sparsely studied which requires detailed investigations in this respect. Low temperature atmospheric stress corrosion cracking investigations on 2205 duplex stainless steel formed the framework of this PhD thesis with respect to the waste storage context. Long-term surface magnesium chloride deposition exposures at 50°C and 30% relative humidity for up to 15 months exhibited the occurrence of stress corrosion cracks, showing stress corrosion susceptibility of 2205 duplex stainless steel at 50°C.The amount of cold work increased the cracking susceptibility, with bending deformation being the most critical type of deformation mode among tensile and rolling type of cold work. The orientation of the microstructure deformation direction, i.e. whether the deformation occurred in transverse or rolling direction, played vital role in corrosion and cracking behaviour, as such that bending in transverse direction showed almost 3-times larger corrosion and stress corrosion cracking propensity. Welding simulation treatments by ageing processes at 750°C and 475°C exhibited substantial influences on the corrosion properties. It was shown that sensitisation ageing at 750°C can render the material enhanced susceptible to stress corrosion cracking at even low chloride deposition densities of ≤145 µm/cm². However, it could be shown that short-term heat treatments at 475°C can decrease corrosion and stress corrosion cracking susceptibility which may be used to improve the materials performance. Mechanistic understanding of stress corrosion cracking phenomena in light of a comprehensive microstructure characterisation was the main focus of this thesis.
49
Zheng, Xiang. "Large Scale Simulation of Spinodal Decomposition." Thesis, 2013. https://doi.org/10.7916/D89W0DZ9.
Full textAbstract:
Spinodal decomposition is a process in which a system of binary mixture eventually evolves to the separation of two macroscopic phases. Such phase separation occurs in a thermodynamically unstable state. A number of binary mixture experiments have demonstrated the phenomenon of spinodal decomposition. Many models have been proposed to describe the evolution of the spinodal decomposition. The Cahn-Hilliard (CH) partial differential equation, which includes an order parameter and a free energy, and evolves to minimize the energy, has frequently been used as a phase field model. Due to random thermal fluctuations that are inevitable in physical systems, the CH equation might be unrealistic for the overall decomposition process. Experimental results demonstrate the existence of Brownian motion in the spinodal decomposition, which suggests that diffusion (deterministic contribution) and the noise (stochastic contribution) both have an essential influence on the rate of spinodal decomposition. Therefore, a stochastic process should be part of a realistic mathematical model of the overall decomposition process. In order to overcome the disadvantage that the CH equation ignores physically significant thermal fluctuation, the CH equation with a thermal fluctuation term has been proposed, where the thermal fluctuation is modeled by a time-space Brownian motion. The CH equation with the thermal fluctuation was first considered by Cook, so the extended CH equation is also known as the Cahn-Hilliard-Cook (CHC) equation. For studying the CHC equation, we are primarily interested in the properties of steady state, such as the energies, statistical moments, and morphology. This motivates our choices for the numerical frameworks for analyzing the CHC equation. The CHC equation is a stochastic partial differential equation involving a biharmonic form and a noise forcing term. When the potential term is a polynomial, the CHC equation is split into a lower order PDE system of two harmonic equations. The space is discretized by the standard finite element method. The evolution of the spinodal decomposition and the effect of the thermal fluctuation are studied in 2D. For obtaining numerical results of the CHC equation with a more realistic logarithmic potential efficiently, especially in 3D, a fully implicit, cell-centered, finite difference scheme in the original biharmonic form, and an adaptive time-stepping strategy are combined to discretize the space and time. The numerical scheme is verified by a comparison with an explicit scheme. At each time step, the parallel NKS algorithm is used to solve a nonlinear spatially discretized system. We discuss various numerical and computational challenges associated with the cell-centered finite difference-based, massively parallel implementation of this framework. We present steady state solutions of the CHC equation in 2D and, for the first time, in 3D. The effect of the thermal fluctuation on the spinodal decomposition process is studied. We demonstrate that the thermal fluctuation is able to accelerate the spinodal decomposition process, and change the final steady morphology. We study the evolution of energies and statistical moments, from the initial stage to the steady state. Next, we study the CHC equation from the statistical perspective. A parallel domain decomposition method, based on the Wiener chaos expansion (WCE) and the Karhunen-Loeve expansion (KLE), is presented. Applying the two expansions to time-space white noise, we transform the CHC equation into a deterministic form. The main advantage of the Wiener chaos approach is that it separates deterministic and random effects, and factors the latter out of the primary stochastic partial differential equation effectively and rigorously. Therefore, the stochastic partial differential equation can be reduced to its propagator: a system of deterministic equations for the coefficients of the Wiener chaos expansion. Formulae for the expansion of high order nonlinear terms are presented, which involve the solutions of the propagator. Compared to the Monte Carlo (MC) method, the Wiener chaos approach does not require the generation of random numbers. The Karhunen-Loeve expansion is able to capture the principal component of the random field. A domain decomposition method is used to solve the equation system, which is discretized by a stabilized implicit cell-centered finite difference scheme. An NKS algorithm is applied to solve the nonlinear system of equations at each time step. The evolution of the spinodal decomposition and respective variances are demonstrated. Numerical results demonstrate that the parallel domain decomposition method scales well to a thousand processor cores. For short time, the Wiener chaos Karhunen-Loeve expansion (WCKLE) method is more efficient than the Monte Carlo simulation. We simulate the whole spinodal decomposition process by the Wiener chaos Karhunen-Loeve expansion Monte Carlo (WKCLE-MC) hybrid method, and obtain the distinctive separation stage for long time.
50
Guskov, Alex. "Spinodal decomposition of solutions during crystallization." 2017. https://ul.qucosa.de/id/qucosa%3A31628.
Full textAbstract:
The modern theory of phase transitions cannot explain the results of many experiments of
interphase mass transfer. One reason for this is the assumption that during crystallization the
solution is in the metastable state. The decomposition of the solution occurs by binodal
scenario in this case. Crystallization nuclei form and grow in solution. The purpose of this
study to show that in many cases the solution during crystallization is in an unstable state. The
unstable condition leads to decomposition the solution by spinodal scenario.