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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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发表于 2025-3-21 18:42:18 | 显示全部楼层 |阅读模式
书目名称Computational Materials System Design
编辑Dongwon Shin,James Saal
视频video
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
图书封面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
关键词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
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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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