Mechanical properties of Fe-rich Si alloy from Hamiltonian

Mechanical properties of Fe-rich Si alloy from Hamiltonian

Abstract The physical origins of the mechanical properties of Fe-rich Si alloys are investigated by combining electronic structure calculations with statistical mechanics means such as the cluster variation method, molecular dynamics simulation, etc, applied to homogeneous and heterogeneous systems....

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Bibliographic Details
Main Authors: Tetsuo Mohri, Ying Chen, Masanori Kohyama, Shigenobu Ogata, Arkapol Saengdeejing, Somesh Kumar Bhattacharya, Masato Wakeda, Shuhei Shinzato, Hajime Kimizuka
Format: Article
Language:English
Published: Nature Publishing Group 2017-03-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-017-0012-4

Internet

https://doi.org/10.1038/s41524-017-0012-4

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