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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.
Source PublicationSCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY
2012-09-01
Volume55Issue:9Pages:1657-1663
ISSN1674-7348
AbstractIn 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.
KeywordMolecular 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
Subject Area损伤、破坏机理和微结构演化
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Indexed BySCI ; EI
Language英语
WOS IDWOS:000307719500021
Funding OrganizationThis 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).
DepartmentLNM材料介观力学性能的表征
Classification二类/Q3
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Cited Times:18[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/46671
Collection非线性力学国家重点实验室
Corresponding AuthorYuan, FP; Chinese Acad Sci, State Key Lab Nonlinear Mech, Inst Mech, Beijing 100190, Peoples R China.
Recommended Citation
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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