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Titlebook: Computational Materials System Design; Dongwon Shin,James Saal Book 2018 Springer International Publishing AG 2018 CALPHAD.Computational T

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發(fā)表于 2025-3-21 18:42:18 | 只看該作者 |倒序瀏覽 |閱讀模式
書目名稱Computational Materials System Design
編輯Dongwon Shin,James Saal
視頻videohttp://file.papertrans.cn/233/232660/232660.mp4
概述Provides a comprehensive guide for utilizing computational tools for materials design and processing.Covers the fundamentals of thermodynamics and kinetics.Explains how thermodynamics and kinetics can
圖書封面Titlebook: Computational Materials System Design;  Dongwon Shin,James Saal Book 2018 Springer International Publishing AG 2018 CALPHAD.Computational T
描述This book provides state-of-the-art computational approaches for accelerating materials discovery, synthesis, and processing using thermodynamics and kinetics. The authors deliver an overview of current practical computational tools for materials design in the field. They describe ways to integrate thermodynamics and kinetics and how the two can supplement each other.
出版日期Book 2018
關(guān)鍵詞CALPHAD; Computational Thermodynamics; Density Functional Theory (DFT); Diffusion Kinetics; First-princi
版次1
doihttps://doi.org/10.1007/978-3-319-68280-8
isbn_softcover978-3-319-88575-9
isbn_ebook978-3-319-68280-8
copyrightSpringer International Publishing AG 2018
The information of publication is updating

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Design of Materials Processing Using Computational Thermodynamics,mputational thermodynamics for the design of new materials and materials processing in reducing the trial-and-error research activities. The evolution of the CALPHAD (CALculation of PHAse Diagrams) approach is discussed from the development of thermodynamic databases and new software to the extensio
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1D Solidification Model for the Prediction of Microstructural Evolution in Light Alloys,kinetics. The present 1D solidification model coupling the CALPHAD-type thermodynamic database and classical solidification theories can reasonably predict the microstructural evolution including solidification path, primary and secondary dendrite arm spacing, microsegregation, and secondary phase f
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Multiscale Crystalline Plasticity for Materials Design,ctive atomic scale approaches through responses of polycrystals. Intermediate forms of models vary from discrete (and often dynamic) methods to statistical and continuum methods. These range from coarse-grained atomistic and microscopic phase field models, discrete dislocation dynamics, dislocation
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發(fā)表于 2025-3-22 18:57:55 | 只看該作者
Ab Initio Molecular Dynamics Studies of Fast Ion Conductors,c conductors that are of immense interest to energy storage and other application. In this chapter, we will first provide an introduction of the theoretical underpinnings of AIMD, including both the Car-Parrinello and Born-Oppenheimer variants and the analysis of such simulations for diffusion prope
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Materials Data Infrastructure and Materials Informatics,e art in materials data infrastructure, focusing in detail on four infrastructure projects spanning academia, government, and industry. We also discuss data standards as an enabling step on the path to community-scale materials data infrastructure. We then introduce materials informatics as a potent
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