Understanding the Materials Genome from the Perspective of Computational Thermodynamics and Kinetics
Understanding the Materials Genome from the Perspective of Computational Thermodynamics and Kinetics作者机构：School of Materials Science and Engineering Shanghai University School of Materials Science and Engineering Central South University
出 版 物：《Journal of the Chinese Ceramic Society》 (硅酸盐学报(英文版))
年 卷 期：2014年第1卷第1期
页 面：36-41页
学科分类：08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学]
基 金：financial supports from the Shanghai Oriental Scholar project 085 project launched by the Shanghai municipal education commission
主 题：Materials Genome Initiative computational thermodynamics computational kinetics first-principles calculations database Integrated Computa-tional Materials Engineering
摘 要：A combination of calculations, experiments and databases is intrinsically realized in the methods of computational thermodynamics and kinetics. Together with the dedicated databases assessed from the experimental data, the meso-scale computational thermodynamics and kinetics can be integrated with micro- and macro-scale simulations to establish an integrated platform to accelerate the materials development and deployment. It is valuable and beneficial to understand the concept of materials genome from the perspective of computational thermodynamics and kinetics.
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