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	Atomistic simulation for configuration evolution and energetic calculation of crack in body-centered-cubic iron
	Cao, Li-Xia ; Wang, Chong-Yu
	2010-05-06 ; 2010-05-06 ; OCT
关键词	MOLECULAR-DYNAMICS SIMULATION TO-DUCTILE TRANSITION DISLOCATION EMISSION ALPHA-IRON ACTIVATION-ENERGY SINGLE-CRYSTALS FRACTURE TIP DEFORMATION CLEAVAGE Materials Science, Multidisciplinary
中文摘要	The molecular dynamics method has been used to simulate mode I cracking in body-centered-cubic iron. Close attention has been paid to the process of the atomic configuration evolution of the cracks. The simulation shows that at low temperatures, partial dislocations are emitted before the initiation of crack propagation, subsequently forming the stacking faults or multilayer twins on {112} planes, and then brittle cleavage and extended dislocation nucleation are observed at the crack tip accompanied by twin extension. These results are in agreement with the experimental observation that twinning and fracture processes cooperate at low temperatures. Furthermore, an energetics analysis has been made on the deformation behavior observed at the crack tip. The effect of temperature on the fracture process is discussed. At the higher temperature, plastic deformation becomes easier, and crack blunting occurs. With increasing temperature, the fracture resistance increases, and the effect of the lattice trapping can be weakened by thermal activation.
语种	英语 ; 英语
出版者	MATERIALS RESEARCH SOCIETY ; WARRENDALE ; 506 KEYSTONE DR, WARRENDALE, PA 15086 USA
内容类型	期刊论文
源URL	[http://hdl.handle.net/123456789/15162]
专题	清华大学
推荐引用方式 GB/T 7714	Cao, Li-Xia,Wang, Chong-Yu. Atomistic simulation for configuration evolution and energetic calculation of crack in body-centered-cubic iron[J],2010, 2010, OCT.
APA	Cao, Li-Xia,&Wang, Chong-Yu.(2010).Atomistic simulation for configuration evolution and energetic calculation of crack in body-centered-cubic iron..
MLA	Cao, Li-Xia,et al."Atomistic simulation for configuration evolution and energetic calculation of crack in body-centered-cubic iron".(2010).

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