Log in

Relevant bibliographies by topics / CALPHAD modeling / Dissertations / Theses

To see the other types of publications on this topic, follow the link: CALPHAD modeling.

Dissertations / Theses on the topic 'CALPHAD modeling'

Author: Grafiati

Published: 21 February 2024

Last updated: 26 July 2025

Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles

Select a source type:

Consult the top 30 dissertations / theses for your research on the topic 'CALPHAD modeling.'

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

Smith, Andrew Logan Mr. "Thermodynamic Evaluation and Modeling of Grade 91 Alloy and its Secondary Phases through CALPHAD Approach." FIU Digital Commons, 2018. https://digitalcommons.fiu.edu/etd/3773.

Full text

Abstract:

Grade 91 (Gr.91) is a common structural material used in boiler applications and is favored due to its high temperature creep strength and oxidation resistance. Under cyclic stresses, the material will experience creep deformation eventually causing the propagation of type IV cracks within its heat-affected-zone (HAZ) which can be a major problem under short-term and long-term applications. In this study, we aim to improve this premature failure by performing a computational thermodynamic study through the Calculation of Phase Diagram (CALPHAD) approach. Under this approach, we have provided a

APA, Harvard, Vancouver, ISO, and other styles

2

Di, Napoli Paolo. "Modélisation des évolutions microstructurales par changement de phases dans les alliages de titane [bêta] - métastables." Thesis, Vandoeuvre-les-Nancy, INPL, 2010. http://www.theses.fr/2010INPL070N/document.

Full text

Abstract:

Un modèle a été développé pour prédire les cinétiques de transformation de phase beta → alpha dans les alliages de titane multi constitués au cours de chemins thermiques complexes. Il repose sur : (i) une simplification de la représentation géométrique des différentes morphologies communément observées dans ces alliages (grains parents bêta, phase α(allotriomorphe) aux joints des grains parents, colonies de phase α, précipités α intragranulaires) ; (ii) des lois analytiques de germination et de croissance pour les diverses morphologies de phase α; (iii) l’hypothèse d'équilibre local aux inter

APA, Harvard, Vancouver, ISO, and other styles

3

Sachi, Savya. "Coupling solidification model with CALPHAD data for the prediction of macrosegregation and solidification structures." Electronic Thesis or Diss., Université de Lorraine, 2022. http://www.theses.fr/2022LORR0086.

Full text

Abstract:

Le présent travail vise à affiner les modèles existants dans SOLID® pour une meilleure prédiction des macroségrégations et des structures de solidification. Les modèles de solidification mis en œuvre dans le code SOLID® sont multiphasiques et multiéchelles. Les équations de transport qui le constituent sont fermées par des termes de transfert interphase régis par des relations constitutives microscopiques. Ces termes de transfert interphase reposent sur la représentation aussi précise que possible des phénomènes microstructuraux tels que la morphologie des grains,le profil des solutés dans les

APA, Harvard, Vancouver, ISO, and other styles

4

Ricciardi, Denielle E. "Uncertainty Quantification and Propagation in Materials Modeling Using a Bayesian Inferential Framework." The Ohio State University, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=osu1587473424147276.

Full text

APA, Harvard, Vancouver, ISO, and other styles

5

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 text

Abstract:

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 struc

APA, Harvard, Vancouver, ISO, and other styles

6

Lu, Xiao-Gang. "Theoretical modeling of molar volume and thermal expansion." Doctoral thesis, Stockholm, 2005. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-252.

Full text

APA, Harvard, Vancouver, ISO, and other styles

7

Ucci, Russell. "Investigation of Interface Diffusion on the Reliability of AlGaN/GaN High Electron Mobility Transistor by Thermodynamic Modeling." Miami University / OhioLINK, 2012. http://rave.ohiolink.edu/etdc/view?acc_num=miami1344529070.

Full text

APA, Harvard, Vancouver, ISO, and other styles

8

Dalton, John Christian. "Thermodynamics of Paraequilibrium Carburization and Nitridation of Stainless Steels." Case Western Reserve University School of Graduate Studies / OhioLINK, 2014. http://rave.ohiolink.edu/etdc/view?acc_num=case1386586585.

Full text

APA, Harvard, Vancouver, ISO, and other styles

9

Lin, Kang-Yi. "The Dissolution of Iron from Automotive Steel Sheets in a Molten Zinc Bath and the Kinetics of the Nucleation and Growth of Dross Particles." Case Western Reserve University School of Graduate Studies / OhioLINK, 2011. http://rave.ohiolink.edu/etdc/view?acc_num=case1307733545.

Full text

APA, Harvard, Vancouver, ISO, and other styles

10

Paulus, Kyle. "Combined CALPHAD and Machine Learning for Property Modelling." Thesis, KTH, Materialvetenskap, 2020. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-278149.

Full text

Abstract:

Techniques to improve the speed at which materials are researched and developed has been conducted by investigating the machine learning methodology. These techniques offer solutions to connect the length scales of material prop- erties from atomistic and chemical features using materials databases generated from collected data. In this assessment, two material informatics methodologies are used to predict material properties in steels and nickel based superalloys using this approach. Martensite start temperature and sigma phase amount as a function of input composition has been modelled with

APA, Harvard, Vancouver, ISO, and other styles

11

Cui, Jinjiang. "Approche thermodynamique des interactions chimiques dans les systèmes Zr-Cr-O et U-Cr-O à hautes températures pour l'évaluation des combustibles ATF (Accident Tolerant Fuel) en conditions accidentelles." Electronic Thesis or Diss., Université de Lille (2022-....), 2023. http://www.theses.fr/2023ULILR045.

Full text

Abstract:

Le développement de matériaux combustibles tolérants aux accidents (ATF) est un moyen d'améliorer la sûreté des réacteurs à eau légère. L'alliage de zirconium recouvert de Cr (M5) et le combustible UO2 dopé à l'oxyde de chrome Cr2O3 figurent parmi les solutions à court terme les plus prometteuses. L'objectif de cette thèse était de réaliser une étude expérimentale des relations de phase, des propriétés thermodynamiques des systèmes ternaires Zr-Cr-O et U-Cr-O, et sur cette base expérimentale, de développer une modélisation thermodynamique de ces systèmes qui pourrait aider à évaluer le comport

APA, Harvard, Vancouver, ISO, and other styles

12

König, Hans-Henrik. "Calphad data handling for generic precipitation modelling coupled with FEM." Thesis, KTH, Materialvetenskap, 2020. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-280039.

Full text

Abstract:

To enable a generic modelling tool for precipitation kinetics in non-homogeneous components, an efficient data-handling is required to facilitate the integration of models on different length scales, and to decrease the computational time and the use of resources. In this work an automated method to generate, curate and transform Calphad- based thermodynamic and kinetic data to facilitate precipitation models integrated in FEM codes is developed and tested. The open-source Python library, pycalphad, is employed to access Calphad databases. Python scripts are utilized to calculate the thermodyn

APA, Harvard, Vancouver, ISO, and other styles

13

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

APA, Harvard, Vancouver, ISO, and other styles

14

Yang, Yang. "Investigation of vanadium-containing oxide systems : CALPHAD and experiments." Doctoral thesis, KTH, Termodynamisk modellering, 2016. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-197292.

Full text

Abstract:

Fundamental studies on thermodynamic properties of vanadium-containing oxides systems are essential to understand practical vanadium metallurgical process. The CALPHAD technique is here applied to the thermodynamic modelling of the V-O, Ca-V-O and Ti-V-O systems. The compound energy formalism is used for all the solution phases. All optimization processes and calculations are performed using the Thermo-Calc software package. The present work attempts to develop a self-consistent thermodynamic database of all phases in the studied systems. The obtained datasets can be used to calculate thermody

APA, Harvard, Vancouver, ISO, and other styles

15

Palanivel, Sivanesh. "Thermomechanical Processing, Additive Manufacturing and Alloy Design of High Strength Mg Alloys." Thesis, University of North Texas, 2016. https://digital.library.unt.edu/ark:/67531/metadc849628/.

Full text

Abstract:

The recent emphasis on magnesium alloys can be appreciated by following the research push from several agencies, universities and editorial efforts. With a density equal to two-thirds of Al and one-thirds of steel, Mg provides the best opportunity for lightweighting of metallic components. However, one key bottleneck restricting its insertion into industrial applications is low strength values. In this respect, Mg-Y-Nd alloys have been promising due to their ability to form strengthening precipitates on the prismatic plane. However, if the strength is compared to Al alloys, these alloys are no

APA, Harvard, Vancouver, ISO, and other styles

16

Cardon, Clément. "Modélisation de la diffusion multi-composants dans un bain de corium diphasique oxyde-métal par une méthode d'interface diffuse." Thesis, Université Paris-Saclay (ComUE), 2016. http://www.theses.fr/2016SACLX096/document.

Full text

Abstract:

Ce travail de thèse porte sur la modélisation de la cinétique de stratification des phases liquides oxyde et métallique dans un bain de corium (système U-O-Zr-acier) du point de vue de la diffusion multi-composants et multiphasique. Cette démarche de recherche s’inscrit dans le cadre du développement d’une modélisation « fine » du comportement d’un bain de corium basée sur une approche CFD (« Computational Fluid Dynamics ») de la thermo-hydraulique. Elle vise à améliorer la compréhension des phénomènes mis en jeu et construire des lois de fermetures adéquates pour des modèles macroscopiques in

APA, Harvard, Vancouver, ISO, and other styles

17

Tosin, Paese Lucas. "Investigation of Cathode Materials for Lithium-Ion Batteries by Thermodynamic Modelling." Electronic Thesis or Diss., université Paris-Saclay, 2024. http://www.theses.fr/2024UPASF002.

Full text

Abstract:

Les batteries lithium-ion utilisent généralement comme électrode positive les NMC, qui contiennent du nickel, du manganèse et du cobalt comme métaux de transition, dans le système chimique Li(Ni,Mn,Co)O₂—(Ni,Mn,Co)O₂. Dans la quête d'une capacité accrue et d'une technologie de l'énergie plus verte, des efforts importants sont entrepris pour réduire la teneur en cobalt tout en garantissant l'intégrité et les performances de la batterie. Notre objectif est de développer un modèle thermodynamique pour ce système en utilisant l'approche CALPHAD. Ce modèle nous permettra d'explorer les compositions

APA, Harvard, Vancouver, ISO, and other styles

18

Desseaux, Mathias. "Thermodynamique haute température et haute pression des systèmes Mg - métaux de transition. Acquisition de données et modélisation Calphad." Electronic Thesis or Diss., Lyon 1, 2024. http://www.theses.fr/2024LYO10312.

Full text

Abstract:

L’étude expérimentale des systèmes présentant des interactions fortement répulsives, ce qui est le cas pour beaucoup de systèmes Mg-X (X = Fe, Cr, Zr …), représente un défi majeur, car elle nécessite soit de travailler à basse température dans des domaines où les solubilités sont très faibles et les analyses quantitatives difficiles, soit de monter en température et d’être alors confronté à la vaporisation et la réactivité du magnésium. Pour le cas particulier du système Mg-Fe, des données disponibles dans la littérature montrent qu’à très haute pression, il serait possible d’augmenter signifi

APA, Harvard, Vancouver, ISO, and other styles

19

Kumpati, Joshva. "Thermodynamic Modelling and Experimental Investigation of Tungsten Partitioning in Nickel Based Alloys." Thesis, KTH, Materialvetenskap, 2018. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-235643.

Full text

Abstract:

Thermo-Calc software AB develops high quality thermodynamic and kinetic databases to predict and simulate accurately multi-component phase behaviour in complex systems. One problem with their Ni-based alloys and superalloy solutions database (TCNI8) is poor description of tungsten partitioning for multi-component nickel based alloys. This work investigates the thermodynamic description of some lower-order systems i.e., Ni-W, Al-Ni-W and Cr-Ni-W by performing key experiments on three binary Ni-W alloys, and two ternary alloys (Al-Ni-W and Cr-Ni-W). Experiments at four different temperatures wer

APA, Harvard, Vancouver, ISO, and other styles

20

OSTROWSKA, MARLENA. "Thermodynamic modelling and experimental validation of High Entropy Alloys containing Al, Co, Cr, Fe, Mo, Ni, Ta and W for high-temperature applications." Doctoral thesis, Università degli studi di Genova, 2021. http://hdl.handle.net/11567/1046937.

Full text

Abstract:

The aim of the current project is to contribute to the design of novel High Entropy Alloys (HEAs) which meet targeted industrial needs, for instance the request for new high-temperature alloys. HEAs attracted a lot of attention due to their promising high temperature mechanical performance. Taking into account a very wide range of alloys that fall into this group of materials, using only experimental investigations would be insufficient in finding new compositions with attractive properties. The objective is achieved by thermodynamic modelling of the Al-Co-Cr-Fe-Mo-Ni-Ta-W system, through t

APA, Harvard, Vancouver, ISO, and other styles

21

Bratberg, Johan. "Phase equilibria and thermodynamic properties of high-alloy tool steels : theoretical and experimental approach." Doctoral thesis, Stockholm, 2005. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-453.

Full text

APA, Harvard, Vancouver, ISO, and other styles

22

Kjellqvist, Lina. "Studies of Steel/Slag Equilibria using Computational Thermodynamics." Licentiate thesis, Stockholm Stockholm : Materialvetenskap, 2006. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-3914.

Full text

APA, Harvard, Vancouver, ISO, and other styles

23

Kjellqvist, Lina. "Thermodynamic description of the Fe-C-Cr-Mn-Ni-O system." Doctoral thesis, Stockholm : Skolan för industriell teknik och management, Kungliga Tekniska högskolan, 2009. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-11100.

Full text

APA, Harvard, Vancouver, ISO, and other styles

24

Mao, Huahai. "Thermodynamic modelling and assessment of some alumino-silicate systems." Doctoral thesis, Stockholm, 2005. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-251.

Full text

APA, Harvard, Vancouver, ISO, and other styles

25

Pham, thi Tam ngoc. "Caractérisation et modélisation du comportement thermodynamique du combustible RNR-Na sous irradiation." Thesis, Aix-Marseille, 2014. http://www.theses.fr/2014AIXM4044/document.

Full text

Abstract:

Au-dessus d'un taux de combustion seuil ≥ 7 at %, les produits de fission volatils Cs, I, et Te ou métalliques (Mo) sont partiellement relâchés hors du combustible et finissent par constituer une couche de composés de PF qui remplit progressivement le jeu existant entre la périphérie de la pastille et la surface interne de la gaine en acier inoxydable. Nous appelons cette couche JOG pour Joint Oxyde-Gaine. Mon sujet de thèse est axé sur l'étude thermodynamique du système (Cs, I, Te, Mo, O) + (U, Pu) ainsi que sur l'étude de la diffusion de ces produits de fission à travers le combustible vers

APA, Harvard, Vancouver, ISO, and other styles

26

Shu-changWu and 吳舒昌. "Ab initio-aided CALPHAD thermodynamic modeling of the Mo-Nb-Re ternary system." Thesis, 2014. http://ndltd.ncl.edu.tw/handle/298xaf.

Full text

Abstract:

碩士<br>國立成功大學<br>材料科學及工程學系<br>102<br>Conventionally, Ni-based superalloys have been employed as the high-temperature materials for engines that directly determine their efficiency. Rare-earth elements, such as Mo, Nb, Re, etc, are usually alloyed in next-generation superalloys to increase their melting temperatures as well as to enhance their high-temperature mechanical properties. In this works, we employed ab initio-aided CALPHAD modeling for developing the thermodynamic description for the Mo-Nb-Re ternary system. With the computation-assisted materials design, only a few experimental verifi

APA, Harvard, Vancouver, ISO, and other styles

27

AnsharMakhraja, Muhammad, and 馬牧輝. "Ab initio-aided CALPHAD thermodynamic modeling for the Mo-V and Mo-Zr binary systems." Thesis, 2015. http://ndltd.ncl.edu.tw/handle/60275159162292791763.

Full text

Abstract:

碩士<br>國立成功大學<br>材料科學及工程學系<br>103<br>Superalloys are current used materials for high temperature application. Recently, a new type of alloy called high entropy alloys are found to have a great potential to replace superalloys as material for high temperature application. Investigation on high entropy alloys are mostly done by experiment which is time consuming and costly. In the future, computational method to design High Entropy alloys (HEAs) will be very useful. Computational method need to be done accurately for lower order system before going into high-order alloy system. A well-known compu

APA, Harvard, Vancouver, ISO, and other styles

28

Shin, Dongwon. "Thermodynamic properties of solid solutions from special quasirandom structures and CALPHAD modeling application to Al-Cu-Mg-Si and Hf-Si-O /." 2007. http://www.etda.libraries.psu.edu/theses/approved/WorldWideIndex/ETD-1734/index.html.

Full text

APA, Harvard, Vancouver, ISO, and other styles

29

Gulapura, Hanumantharaju Arun Kumar. "Thermodynamic modelling ofmartensite start temperature in commercial steels." Thesis, 2018. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-221719.

Full text

Abstract:

Firstly, an existing thermodynamic model for the predicting of martensite start temperature of commercial steels has been improved to include more elements such as N, Si, V, Mo, Nb, W, Ti, Al, Cu, Co, B, P and S and their corresponding composition ranges for Martensitic transformation. The predicting ability of the existing model is improved considerably by critical assessment of different binary and ternary systems i.e. CALPHAD approach which is by wise selection of experimental data for optimization of the interaction parameters. Understanding the degree of variation in multi-component comme

APA, Harvard, Vancouver, ISO, and other styles

30

Saenko, Ivan. "Thermodynamic modelling as applied to the development of TRIP-Matrix-Composite materials: The Fe–Mg–Mn–Ti–Zr–O system." 2020. https://tubaf.qucosa.de/id/qucosa%3A73318.

Full text

Abstract:

This thesis performed within the Collaborative Research Center 799 describes a development of the metal-ceramic thermodynamic databases as applied to the design of the TRIP-Matrix-Composite materials. A wide range of theoretical and experimental investigations have been carried out in the relevant systems of Fe–Mg–Zr–O, Mg–Ti–Zr–O and Mg–Mn–Zr–O. Thermodynamic data were obtained using experimental methods of calorimetry and ab-initio calculations. Phase relations in the constituent binary and ternary systems have been studied using different types of static and dynamic methods. The obtained re

APA, Harvard, Vancouver, ISO, and other styles

We offer discounts on all premium plans for authors whose works are included in thematic literature selections. Contact us to get a unique promo code!