Spanning the continuum to quantum length scales in a dynamic simulation of brittle fracture

被引：263

作者：

Abraham, FF ^{[1
]}

Broughton, JQ

Bernstein, N

Kaxiras, E

机构：

[1] IBM Corp, Almaden Res Ctr, Div Res, San Jose, CA 95120 USA

[2] USN, Res Lab, Complex Syst Theory Branch, Washington, DC 20375 USA

[3] Harvard Univ, Dept Phys, Div Engn & Appl Sci, Cambridge, MA 02138 USA

来源：

EUROPHYSICS LETTERS | 1998年 / 44卷 / 06期

关键词：

D O I：

10.1209/epl/i1998-00536-9

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We have coupled the continuum, the atomistic, and the quantum descriptions of matter for a unified treatment of the dynamic fracture of silicon. We have devised schemes for handshaking between the finite-element, molecular dynamics and semi-empirical tight-binding representations. We illustrate and validate the methodology for brittle crack propagation in silicon.

引用

页码：783 / 787

页数：5

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