Phase transformations, dislocations and hardening behavior in uniaxially compressed silicon nanospheres

被引：24

作者：

Hale, L. M. ^{[1
]}

Zhou, X. ^{[2
]}

Zimmerman, J. A. ^{[2
]}

Moody, N. R. ^{[3
]}

Ballarini, R. ^{[4
]}

Gerberich, W. W. ^{[1
]}

机构：

[1] Univ Minnesota, Dept Mat Sci, Minneapolis, MN 55455 USA

[2] Sandia Natl Labs, Dept Mech Mat, Livermore, CA 94550 USA

[3] Sandia Natl Labs, Dept Hydrogen & Met Sci, Livermore, CA 94550 USA

[4] Univ Minnesota, Dept Civil Engn, Minneapolis, MN 55455 USA

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2011年 / 50卷 / 05期

基金：

美国国家科学基金会; 美国能源部;

关键词：

Phase transformations; Dislocations; Nanostructure; Molecular dynamics; Silicon; MOLECULAR-DYNAMICS; NANOINDENTATION; SIMULATION; DEFORMATION; INDENTATION; ENERGY;

D O I：

10.1016/j.commatsci.2010.12.023

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Molecular dynamics has been used to simulate the uniaxial compression of single crystal silicon nanospheres using the Tersoff potential. The resulting yield behavior is shown to vary with changes in temperature, sphere size, and crystallographic orientation with respect to the loading direction. Only compression along the [1 0 0] crystallographic direction resulted in the formation of the beta-Sn phase. A temperature dependent hardening response is observed in all orientations independent of the beta-Sn phase transformation. Dislocation activity is detected at elevated temperatures in the largest sphere indicating a critical temperature and size for nucleation. Consequences of these dislocations to simulating strength properties at the nanoscale are discussed. (c) 2011 Elsevier B.V. All rights reserved.

引用

页码：1651 / 1660

页数：10

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