Understanding the Materials Genome from the Perspective of Computational Thermodynamics and Kinetics

来源 :Journal of the Chinese Ceramic Society | 被引量 : 0次 | 上传用户:qqwd1
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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. A combination of computations, experiments and databases is intrinsically realized in the methods of computational thermodynamics and kinetics. Together with the database of quantitative computations 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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