Effect of stress on self-diffusion in bcc Fe: An atomistic simulation study

被引：37

作者：

Jang, Je-Wook ^{[1
]}

Kwon, Junhyun ^{[2
]}

Lee, Byeong-Joo ^{[1
]}

机构：

[1] Pohang Univ Sci & Technol, Pohang, South Korea

[2] Korea Atom Energy Res Inst, Nucl Mat Technol R&D Team, Taejon 305353, South Korea

来源：

SCRIPTA MATERIALIA | 2010年 / 63卷 / 01期

关键词：

Stress; Diffusion; bcc Fe; Atomistic simulation; HYDROSTATIC-PRESSURE; VACANCY-FORMATION; FORMATION ENTROPY; SINGLE-CRYSTALS; ALPHA; CU; TEMPERATURE;

D O I：

10.1016/j.scriptamat.2010.02.045

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The effect of stress on self-diffusion in body-centered cubic Fe has been investigated using a molecular dynamics simulation. The diffusivities under hydrostatic, uniaxial and shear stresses are calculated and analyzed to clarify the governing factors that affect diffusion under these stresses. The diffusivity is retarded by compressive pressures, enhanced by shear stresses, and shows an intermediate behavior under uniaxial stresses. The mechanism for these stress dependencies is discussed in terms of the effect of stress on vacancy formation enthalpy and migration energy. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：39 / 42

页数：4

共 31 条

[1] Computer simulation of point defect properties in dilute Fe-Cu alloy using a many-body interatomic potential [J].