Correlative reference model and molecular dynamics simulation of dislocation emission process

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	Correlative reference model and molecular dynamics simulation of dislocation emission process
	Tang QH(汤奇恒); Wang ZQ(王自强)
刊名	Computational Materials Science
	1998
卷号	12 期号:2 页码:73-83
ISSN号	0927-0256
通讯作者	Tang, QH (reprint author), Chinese Acad Sci, Inst Mech, LNM, 15 Zhong Guan Cun Rd, Beijing 100080, Peoples R China.
中文摘要	A correlative reference model for computer molecular dynamics simulations is proposed. Based on this model, a flexible displacement boundary scheme is introduced and the dislocations emitted from a crack tip can continuously pass through the border of the inner discrete atomic region and pile up at the outer continuum region. The effect of the emitted dislocations within the plastic zone on the inner atomistic region can be clearly demonstrated. The simulations for a molybdinum crystal show that a full dislocation in a bcc crystal is dissociated into three partial dislocations and interaction between the crack and the emitted dislocations results in gradual decrease of the local stress intensity factor.
学科主题	力学
类目[WOS]	Materials Science, Multidisciplinary
研究领域[WOS]	Materials Science
关键词[WOS]	CRACK-TIP ; NUCLEATION
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:000077552700001
公开日期	2007-06-15 ; 2007-12-05 ; 2009-06-23
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/16551]
专题	力学研究所_力学所知识产出(1956-2008)
推荐引用方式 GB/T 7714	Tang QH,Wang ZQ. Correlative reference model and molecular dynamics simulation of dislocation emission process[J]. Computational Materials Science,1998,12(2):73-83.
APA	汤奇恒,&王自强.(1998).Correlative reference model and molecular dynamics simulation of dislocation emission process.Computational Materials Science,12(2),73-83.
MLA	汤奇恒,et al."Correlative reference model and molecular dynamics simulation of dislocation emission process".Computational Materials Science 12.2(1998):73-83.