Structures and energies of Sigma 3 asymmetric tilt grain boundaries in silicon

Zhao, M; Dang, RQ; Jin, L; Yu, WS

Yu, WS (corresponding author), Xi An Jiao Tong Univ, State Key Lab Strength & Vibrat Mech Struct, Shaanxi Engn Lab Vibrat Control Aerosp Struct, Sch Aerosp Engn, Xian 710049, Peoples R China.

JOURNAL OF MATERIALS RESEARCH, 2021; 36 (10): 2025

Abstract

We optimize 23 silicon Sigma 3 asymmetric tilt grain boundaries (ATGBs) using Stillinger Weber (SW), Tersoff and the optimized Modified Embedded Atom ......

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