Mechanical properties of Fe-rich Si alloy from Hamiltonian

Mohri, T; Chen, Y; Kohyama, M; Ogata, S; Saengdeejing, A; Bhattacharya, SK; Wakeda, M; Shinzato, S; Kimizuka, H

Mohri, T (reprint author), Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan.

NPJ COMPUTATIONAL MATERIALS, 2017; 3 ( ):

Abstract

The physical origins of the mechanical properties of Fe-rich Si alloys are investigated by combining electronic structure calculations with statistica......

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