Atomistic simulation study of tensile deformation in bulk nanocrystalline bcc iron

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	Atomistic simulation study of tensile deformation in bulk nanocrystalline bcc iron
	Yuan FP(袁福平); Yuan, FP; Chinese Acad Sci, State Key Lab Nonlinear Mech, Inst Mech, Beijing 100190, Peoples R China.
发表期刊	SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY
	2012-09-01
卷号	55 期号:9 页码:1657-1663
ISSN	1674-7348
摘要	In the present work, the mechanical properties of bulk nanocrystalline (NC) bcc Fe under tensile deformation have been studied by molecular dynamics (MD) simulations. Average flow stress was found to decrease with grain refinement below 13.54 nm, indicating a breakdown in the Hall-Petch relation. A change from grain boundary (GB) mediated dislocation activities to GB activities may be a possible explanation of the breakdown in the Hall-Petch relation. The results also indicate that the average flow stress increases with increasing strain rates and decreasing temperatures. Stress induced phase transformations were observed during the tensile deformation of NC Fe, and such phase transformations were found to be reversible with respect to the applied stress. The maximum fraction of the cp atoms was also found to increase with increasing applied stress. Significant phase transformation occurred in the stacking fault zone due to dislocation activities for large grain size (13.54 nm), while significant phase transformation occurred in the GBs due to GB activities for small grain size (3.39 nm). At deformation temperature of 900 K and above, no apparent phase transformation occurred because all atoms at GBs and grain interior could easily rearrange their position by thermal activation to form local vacancies/disordered structures rather than ordered close packed (cp) structures.
关键词	Molecular Dynamics Simulation Phase Transformation Dislocation Activities Grain Boundary Diffusion Iron Grain-boundary Diffusion Molecular-dynamics Mechanical-behavior High-pressure Fcc Metals Dislocations Transition Nucleation Strength Aluminum
学科领域	损伤、破坏机理和微结构演化
URL	查看原文
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:000307719500021
项目资助者	This work was supported by the National Basic Research Program of China (Grant Nos. 2012CB932203 and 2012CB937500) and the National Natural Science Foundation of China (Grants No. 11002151, 10721202 and 11072243).
课题组名称	LNM材料介观力学性能的表征
论文分区	二类/Q3
引用统计	被引频次：28[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/46671
专题	非线性力学国家重点实验室
通讯作者	Yuan, FP; Chinese Acad Sci, State Key Lab Nonlinear Mech, Inst Mech, Beijing 100190, Peoples R China.
推荐引用方式 GB/T 7714	Yuan FP,Yuan, FP,Chinese Acad Sci, State Key Lab Nonlinear Mech, Inst Mech, Beijing 100190, Peoples R China.. Atomistic simulation study of tensile deformation in bulk nanocrystalline bcc iron[J]. SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY,2012,55,9,:1657-1663.
APA	袁福平,Yuan, FP,&Chinese Acad Sci, State Key Lab Nonlinear Mech, Inst Mech, Beijing 100190, Peoples R China..(2012).Atomistic simulation study of tensile deformation in bulk nanocrystalline bcc iron.SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY,55(9),1657-1663.
MLA	袁福平,et al."Atomistic simulation study of tensile deformation in bulk nanocrystalline bcc iron".SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY 55.9(2012):1657-1663.

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