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Relevant bibliographies by topics / Crystal size prediction

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Journal articles
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Academic literature on the topic 'Crystal size prediction'

Author: Grafiati

Published: 14 March 2023

Last updated: 31 July 2025

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Journal articles on the topic "Crystal size prediction"

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Hirose, Koichiro, Koji Fukudome, Hiroya Mamori, and Makoto Yamamoto. "Three-Dimensional Trajectory and Impingement Simulation of Ice Crystals Considering State Changes on the Rotor Blade of an Axial Fan." Aerospace 11, no. 1 (2023): 2. http://dx.doi.org/10.3390/aerospace11010002.

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Ice crystal icing occurs in jet engine compressors, which can severely degrade jet engine performance. In this study, we developed an ice crystal trajectory simulation, considering the state changes of ice crystals with a forced convection model, indicating a significant difference in impinging ice crystal content on the blade for tiny ice crystals. Then, ice crystal trajectory simulations were performed for the rotor blade of an axial fan to investigate the effects of ice crystal size and relative humidity on collision characteristics. The results indicate that the surrounding air affects the

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Соколовский, А. С., М. Н. Лубов, Н. А. Беседина, Ю. В. Трушин та М. В. Дубина. "Кинетическая модель формирования кристаллов белка в капиллярах методом контрдиффузии". Письма в журнал технической физики 44, № 11 (2018): 105. http://dx.doi.org/10.21883/pjtf.2018.11.46203.17068.

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AbstractA kinetic model of crystallization of lysozyme is proposed, and computer calculations of this process are carried out. The conditions for the formation of such crystals are determined. Under these conditions, individual crystals were grown that were suitable for X-ray examination. The developed model enables prediction of the quantity, size, and place of crystal nucleation inside the capillary.

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Chen, Dongju, Shupei Li, and Jinwei Fan. "Effect of KDP-Crystal Material Properties on Surface Morphology in Ultra-Precision Fly Cutting." Micromachines 11, no. 9 (2020): 802. http://dx.doi.org/10.3390/mi11090802.

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To study the effect of material properties on the surface morphology of potassium dihydrogen phosphate (KDP) crystals, an ultra-precision fly cutting machine tool with a single-point diamond tool was used to perform a cutting experiment on (100) crystal plane of the KDP crystal. The elastic modulus, shear modulus, hardness, and dislocation of KDP crystals are taken into the cutting force model by introducing the strain gradient plasticity theory. Since the size effect and dynamic response will affect the surface roughness during ultra-precision machining, the surface roughness of workpieces in

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Mahmoud, Hanan Ahmed Hosni. "Transfer Learning in Inorganic Compounds’ Crystal Structure Classification." Crystals 13, no. 1 (2023): 87. http://dx.doi.org/10.3390/cryst13010087.

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Deep learning consists of deep convolutional layers and an unsupervised feature selection phase. The feature selection of deep learning on a large size dataset can be employed in correlated prediction models with small size datasets. This methodology is titled deep transfer learning model and enhances prediction model generalization. In this research, we proposed a prediction model for the crystal structure classification of inorganic compounds. Deep learning models in structure classification are usually trained using a large size dataset of 300 K compounds from different quantum compounds da

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Hashino, Tempei, and Gregory J. Tripoli. "The Spectral Ice Habit Prediction System (SHIPS). Part IV: Box Model Simulations of the Habit-Dependent Aggregation Process." Journal of the Atmospheric Sciences 68, no. 6 (2011): 1142–61. http://dx.doi.org/10.1175/2011jas3667.1.

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Abstract The purpose of this paper is to assess the prediction of particle properties of aggregates and particle size distributions with the Spectral Ice Habit Prediction System (SHIPS) and to investigate the effects of crystal habits on aggregation process. Aggregation processes of ice particles are critical to the understanding of precipitation and the radiative signatures of cloud systems. Conventional approaches taken in cloud-resolving models (CRMs) are not ideal to study the effects of crystal habits on aggregation processes because the properties of aggregates have to be assumed beforeh

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McDonald, Matthew A., Andreas S. Bommarius, Martha A. Grover, and Ronald W. Rousseau. "Direct Observation of Growth Rate Dispersion in the Enzymatic Reactive Crystallization of Ampicillin." Processes 7, no. 6 (2019): 390. http://dx.doi.org/10.3390/pr7060390.

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Prediction and control of crystal size distributions, a prerequisite for production of consistent crystalline material in the pharmaceutical industry, requires knowledge of potential non-idealities of crystal growth. Ampicillin is one such medicine consumed in crystal form (ampicillin trihydrate). Typically it is assumed that all crystals of the same chemical and geometric type grow at the same rate, however a distribution of growth rates is often observed experimentally. In this study, ampicillin produced enzymatically is crystallized and a distribution of growth rates is observed as individu

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Zhang, Yongchun, and Michael F. Doherty. "Simultaneous prediction of crystal shape and size for solution crystallization." AIChE Journal 50, no. 9 (2004): 2101–12. http://dx.doi.org/10.1002/aic.10182.

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Xia, Deyu, Ning Li, Pengju Ren, and Xiaodong Wen. "Prediction Of Material Properties By Neural Network Fusing The Atomic Local Environment And Global Description: Applied To Organic Molecules And Crystals." E3S Web of Conferences 267 (2021): 02059. http://dx.doi.org/10.1051/e3sconf/202126702059.

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Machine learning has brought great convenience to material property prediction. However, most existing models can only predict properties of molecules or crystals with specific size, and usually only local atomic environment or molecular global descriptor representation be used as the characteristics of the model, resulting in poor model versatility and cannot be applied to multiple systems. We propose a method that combines the description of the local atomic environment and the overall structure of the molecule, a fusion model consisting of a graph convolutional neural network and a fully co

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Tu, Yuhui, Seán B. Leen, and Noel M. Harrison. "A high-fidelity crystal-plasticity finite element methodology for low-cycle fatigue using automatic electron backscatter diffraction scan conversion: Application to hot-rolled cobalt–chromium alloy." Proceedings of the Institution of Mechanical Engineers, Part L: Journal of Materials: Design and Applications 235, no. 8 (2021): 1901–24. http://dx.doi.org/10.1177/14644207211010836.

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The common approach to crystal-plasticity finite element modeling for load-bearing prediction of metallic structures involves the simulation of simplified grain morphology and substructure detail. This paper details a methodology for predicting the structure–property effect of as-manufactured microstructure, including true grain morphology and orientation, on cyclic plasticity, and fatigue crack initiation in biomedical-grade CoCr alloy. The methodology generates high-fidelity crystal-plasticity finite element models, by directly converting measured electron backscatter diffraction metal micro

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Dixon, Anthony G., and Robert W. Thompson. "Prediction of the zeolite crystal size distribution in batchwise hydrothermal synthesis." Zeolites 6, no. 3 (1986): 154–60. http://dx.doi.org/10.1016/0144-2449(86)90041-2.

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Dissertations / Theses on the topic "Crystal size prediction"

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HARGUINDEGUY, MAITE. "Infrared thermography for freeze-drying applications: from ice crystal size prediction to primary drying process monitoring and design space determination." Doctoral thesis, Politecnico di Torino, 2022. http://hdl.handle.net/11583/2959955.

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Conn, Brian E. "Revealing the Magic in Silver Magic Number Clusters: The Development of Size-Evolutionary Patterns for Monolayer Coated Silver-Thiolate Nanoclusters." University of Toledo / OhioLINK, 2016. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1481294367098454.

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Skyner, Rachael Elaine. "Hydrate crystal structures, radial distribution functions, and computing solubility." Thesis, University of St Andrews, 2017. http://hdl.handle.net/10023/11746.

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Solubility prediction usually refers to prediction of the intrinsic aqueous solubility, which is the concentration of an unionised molecule in a saturated aqueous solution at thermodynamic equilibrium at a given temperature. Solubility is determined by structural and energetic components emanating from solid-phase structure and packing interactions, solute–solvent interactions, and structural reorganisation in solution. An overview of the most commonly used methods for solubility prediction is given in Chapter 1. In this thesis, we investigate various approaches to solubility prediction and so

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Afsi, Nawel. "Contrôle des procédés représentés par des équations aux dérivées partielles." Thesis, Lyon, 2020. http://www.theses.fr/2020LYSE1033.

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L’objectif de ce travail est le contrôle des procédés représentés par des équations aux dérivées partielles. Deux procédés ont été considérés. Le premier procédé est un procédé de cristallisation en batch. L’objectif du contrôle est la génération d’une distribution des tailles de cristaux (DTC) ayant une taille moyenne adéquate. Tout d’abord, nous avons utilisé observateur à grand gain en cascade pour estimer cette taille moyenne en utilisant que la température du cristallisoir et la concentration du soluté. Ensuite, différents scénarios ont été testés afin de comparer les performances des dif

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Book chapters on the topic "Crystal size prediction"

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Wu, Wenxiao, Ronglin Pan, Chao Zeng, et al. "Effectiveness of Argon Gas for Inhibiting Na Volatilization in GaN Crystal Growth by the Na-Flux Method." In Advances in Transdisciplinary Engineering. IOS Press, 2023. http://dx.doi.org/10.3233/atde230964.

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This study investigates the growth of GaN crystals under different atmospheres through numerical simulations and experiments. To achieve large-sized, high-quality GaN single crystals, extended liquid phase epitaxy is necessary. However, the volatilization of Na in the solvent reduces nitrogen solubility during the later stages of growth, impeding long-term crystal growth and severely limiting the crystal size. To mitigate this, we introduced argon to increase the overall gas pressure and suppress Na volatilization. When the nitrogen pressure was set at 3 MPa, the gas-liquid interface exhibited

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Bihun, Roman, and Bohdan Koman. "NANOSCALE METAL FILM ELECTRONICS." In Traditions and new scientific strategies in the context of global transformation of society. Publishing House “Baltija Publishing”, 2024. http://dx.doi.org/10.30525/978-9934-26-406-1-1.

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The purpose of work is the development of technique for the deposition of nanoscale metal condensates of fine-crystalline structure of Au, Ag, Cu and transition (Mn, Hi, Pd and Cr) metals on the surface of amorphous glass or carbon substrate, and such surfaces pre-coated with wetting weakly conductive underlayers of Ge, Sb or Si, with mass thicknesses up to 8 nm.With predicted, controlled structure and electrophysical properties of metal films by use the combination of "quench deposition" technology and wetting underlayers with subsequent thermal stabilization in the interval of the first temp

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Akisheva, Alina, and Iryna Valivodz. "DOCKING ANALYSIS OF THE INTERACTION OF PROPOXAZEPAM WITH BIOTARGETS THAT REGULATE ITS MECHANISM OF ACTION AND PHARMACOLOGICAL ACTIVITY." In Science, technology and innovation in the modern world. Publishing House “Baltija Publishing”, 2023. http://dx.doi.org/10.30525/978-9934-26-364-4-7.

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One of 1.4-benzodiazepine 3-alcoxy derivatives – propoxazepam, possessing high analgetic action, also effectively suppresses experimental seizures of different etiology. Unexpected combination of pharmacological spectrum components suggests its different binding sites of GABAA receptor subunits.The aim of the work was docking analysis of the interaction of Propoxazepam with biotargets that mediate its mechanism of action and pharmacological activity (using experimental data of the propoxazepam conformation and calculated data for the three-dimensional structure of the ligand-binding site and s

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Stephens, Graeme. "Cirrus, Climate, and Global Change." In Cirrus. Oxford University Press, 2002. http://dx.doi.org/10.1093/oso/9780195130720.003.0024.

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Understanding the climate of Earth and the way climate varies in time requires a quantitative understanding of the way water cycles back and forth between the atmosphere and at the Earth's surface. The exchanges of water between the surface and atmosphere establish the hydrological cycle, and it is the influence of this cycle on the energy budget of Earth that is central not only to understanding present climate but also to the prediction of climate change. Processes relating to the smallest of the reservoirs of water—namely, the atmospheric branch of the hydrological cycle—play an especially

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Conference papers on the topic "Crystal size prediction"

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Arumugam, Sridhar, Nima Tajallipour, and Patrick J. Teevens. "Modeling the Influence of Iron Carbonate Scale Morphology in Sweet Corrosion Prediction." In CORROSION 2014. NACE International, 2014. https://doi.org/10.5006/c2014-3975.

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Abstract This paper presents a new approach to model the growth mechanism of the sweet corrosion product (i.e. iron carbonate scale) and to study the influence of the corrosion product morphology on the uniform corrosion rates. Corrosion rates were defined as the iron ion flux rate leaving the metal surface which is governed by the thickness and volumetric porosity of the corrosion product (scale). Nucleation and crystal growth were treated as the two committed steps in forming the scale. The population number and the critical size of the iron carbonate nuclei were determined using the classic

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Lima, Fernando Arrais R. D., Amyr Crissaff Silva, Marcellus G. F. de Moraes, et al. "Development of a Hybrid Model for the Paracetamol Batch Dissolution in Ethanol Using Universal Differential Equations." In The 35th European Symposium on Computer Aided Process Engineering. PSE Press, 2025. https://doi.org/10.69997/sct.131534.

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Crystallization is a relevant process in the pharmaceutical industry for product purification and particle production. An efficient crystallization is characterized by crystals produced with the desired attributes. Therefore, modeling this process is a key point to achieve this goal. In this sense, the objective of this work is to propose a hybrid model to describe paracetamol dissolution in ethanol. The universal differential equations methodology is considered in the development of this model, using a neural network to predict the dissolution rate combined with the population balance equatio

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Sanni, Olujide, Thibaut Charpentier, Nikil Kapur, and Anne Neville. "Study of Surface Deposition and Bulk Scaling Kinetics in Oilfield Conditions Using an In-situ Flow Rig." In CORROSION 2015. NACE International, 2015. https://doi.org/10.5006/c2015-05916.

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Abstract Scale management is often a complex mixture of prediction, inhibition and sometimes removal strategies. Recent investigations have shown that crystals formed on the surface are not always the result of a secondary deposition process after the precipitation mechanism which occurs in the bulk solution, in contrast to popular thinking. This study assesses CaCO3 scale precipitation and deposition in-situ and in real-time measured in a once-through flow rig that allows for consideration and assessment of various scaling indices, temperatures, flow velocities, inhibitor concentrations and d

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Ashraf, Farhan, Eralp Demir, Mehdi Mokhtarishirazabad, Mahmoud Mostafavi, and David Knowles. "Prediction of Tensile Behaviour of Electron Beam Welded SS316L Using Crystal Plasticity Framework." In ASME 2024 Pressure Vessels & Piping Conference. American Society of Mechanical Engineers, 2024. http://dx.doi.org/10.1115/pvp2024-123363.

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Abstract Electron beam welding (EBW) is particularly attractive to the nuclear sector for joining future components due to its characteristic features, efficiency, and high productivity. In terms of its characteristics feature, EBW creates a narrow heat-affected zone and uniform energy density that minimize distortion and residual stresses in the weldment. Moreover, EBW can join thick components with uniform chemistry, however, it creates significant microstructural heterogeneities and different texture inducing directional properties in the weldment. The weld microstructure consisted of large

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Castelluccio, Gustavo M., and David L. McDowell. "Fatigue Life Prediction of Microstructures." In ASME 2012 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/imece2012-85710.

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The formation and early growth of fatigue cracks in the high cycle fatigue regime is influenced by microstructuctural features such as grain size and morphological and crystallographic texture. However, most fatigue models do not predict the influence of the microstructure on early stages of crack formation, or they employ parameters that should be calibrated with experimental data from specimens with microstructures of interest. These post facto strategies are adequate to characterize materials, but they are not fully appropriate to aid in the design of fatigue-resistant engineering alloys. T

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Ruilan Liu and Yang Xu. "Soft sensor based on least square support vector machine with limited memory for crystal particle size prediction in PTA purification process." In 2008 7th World Congress on Intelligent Control and Automation. IEEE, 2008. http://dx.doi.org/10.1109/wcica.2008.4594479.

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Chen, Hongqiang, Jeffrey W. Kysar, Y. Lawrence Yao, and Youneng Wang. "Experimental Characterization and Simulation of Three Dimensional Plastic Deformation Induced by Microscale Laser Shock Peening." In ASME 2004 International Mechanical Engineering Congress and Exposition. ASMEDC, 2004. http://dx.doi.org/10.1115/imece2004-59661.

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Different experimental techniques and 3D FEM simulations are employed to characterize and analyze the three dimensional plastic deformation and residual strain/stress distribution for single crystal Aluminum under microscale laser shock peening assuming finite geometry. Single pulse shock peening at individual locations was studied. X-ray micro-diffraction techniques based on a synchrotron light source affords micron scale spatial resolution and is used to measure the residual stress spatial distribution along different crystalline directions on the shocked surface. Crystal lattice rotation du

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Wang, Jian, and Caizhi Zhou. "A Meso-Scale Fretting Fatigue Simulation Method Based on Submodelling Technique." In ASME 2021 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2021. http://dx.doi.org/10.1115/imece2021-68754.

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Abstract This work developed a macro-microscopic coupled simulation method for fretting fatigue simulations. The crystal plasticity finite element (CPFE) mode was used to predict the hotspot of crack nucleation in fretting fatigue loading. Our model has considered the microstructure features of metals, such as the grain size, grain orientations and dislocation slips, in the fretting fatigue simulations, most of which have been ignored in previous work. And the submodel approach has been adopted in our work to overcome the size limitation and minimize the effect of boundary constrains. After ca

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Zhao, Xinglong, Joa˜o Quinta da Fonseca, Andrew Sherry, and David Lidbury. "Grain-Scale Heterogeneity Effect on Mechanistic Modelling of Cleavage Fracture of a Ferritic RPV Steel Forging Material." In ASME 2008 Pressure Vessels and Piping Conference. ASMEDC, 2008. http://dx.doi.org/10.1115/pvp2008-61569.

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Improving brittle fracture prediction is crucial for structural integrity assessment. In current safety assessments, fracture mechanics treats polycrystalline steels as homogeneous continua. In reality, deformation of structural steels is heterogeneous. Part of this heterogeneity is due to the elastic and plastic anisotropy of their constituent (often randomly orientated) grains. This paper will compare the predicted failure stresses from tensile tests performed on a ferritic pressure vessel steel using the crystal plasticity finite element approach alongside measured carbide distribution and

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Owolabi, Gbadebo M., and David L. McDowell. "Microstructure-Sensitive Fatigue Design for Notched Components." In ASME 2009 International Mechanical Engineering Congress and Exposition. ASMEDC, 2009. http://dx.doi.org/10.1115/imece2009-10860.

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The current drive for the discovery and use of advanced materials in safety-critical components necessitates the development of reliable fatigue design tools. However, most of the current tools require a number of approximations based on heuristics and phenomenological data rather than solid theoretical underpinning and still yield unsatisfactory and inconsistent results when applied to complex components under in service loads. Microstructural inhomogeneities in the materials induce notch size effects, but are not explicitly accounted for in phenomenological methods. Accordingly, notch sensit

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