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	A dynamic atomistic-continuum method for the simulation of crystalline materials
	E, WN ; Huang, ZY
	2002
关键词	atomistic-continuum method molecular dynamics dislocation phonons friction crack propagation BOUNDARY-CONDITIONS EQUATIONS FRACTURE SCALE
英文摘要	We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics in crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away from defects and interfaces. We propose a new class of matching conditions between the atomistic and the continuum regions. These conditions ensure the accurate passage of large-scale information between the atomistic and the continuum regions and at the same time minimize the reflection of phonons at the atomistic-continuum interface. They can be made adaptive by choosing appropriate weight functions. We present applications to dislocation dynamics, friction between two-dimensional crystal surfaces, and fracture dynamics. We compare results of the coupled method and of the detailed atomistic model. (C) 2002 Elsevier Science (USA).; http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000179183200010&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=8e1609b174ce4e31116a60747a720701 ; Computer Science, Interdisciplinary Applications; Physics, Mathematical; SCI(E); 58; ARTICLE; 1; 234-261; 182
语种	英语
出处	SCI
出版者	计算物理学杂志
内容类型	其他
源URL	[http://hdl.handle.net/20.500.11897/208008]
专题	数学科学学院
推荐引用方式 GB/T 7714	E, WN,Huang, ZY. A dynamic atomistic-continuum method for the simulation of crystalline materials. 2002-01-01.

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