期刊
PHILOSOPHICAL MAGAZINE
卷 90, 期 7-8, 页码 1001-1018出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/14786430903117133
关键词
atomistic simulation; dislocation dynamics; dislocation interactions; dislocation theory; irradiation effects; thermal activation of deformation
类别
资金
- Division of Materials Sciences and Engineering and the Office of Basic Energy Sciences, US Department of Energy
- UK Engineering and Physical Sciences Research Council [FI60-CT-2003-208840, GR/S81162/01]
Given the time and length scales in molecular dynamics (MD) simulations of dislocation-defect interactions, quantitative MD results cannot be used directly in larger scale simulations or compared directly with experiment. A method to extract fundamental quantities from MD simulations is proposed here. The first quantity is a critical stress defined to characterise the obstacle resistance. This mesoscopic parameter, rather than the obstacle 'strength' designed for a point obstacle, is to be used for an obstacle of finite size. At finite temperature, our analyses of MD simulations allow the activation energy to be determined as a function of temperature. The results confirm the proportionality between activation energy and temperature that is frequently observed by experiment. By coupling the data for the activation energy and the critical stress as functions of temperature, we show how the activation energy can be deduced at a given value of the critical stress.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据