改正 发表于 2025-3-23 11:33:21
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Mina O’Dowdirst-principles molecular dynamics provides a reliable atomic-scale tool to optimize geometries and follow the dynamical evolution at different temperatures. We present three examples of application of first-principles molecular dynamics to the study of finite systems and disordered, bulk networks.流利圆滑 发表于 2025-3-23 23:46:17
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Maureen K. Porterrelations for engineered materials. This chapter first addresses key aspects and implications of structure hierarchy in practical systems of interest. We then proceed to discuss aspirations and challenges for designing materials via tailoring of hierarchical structure. It is emphasized that materialAccomplish 发表于 2025-3-24 16:41:17
Richard Scaglionmputational 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 extensioBRIBE 发表于 2025-3-24 21:28:42
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