Elastic-plastic deformation decomposition algorithm for metal clusters at the atomic scale
Yu, Yifan1,2,3; Cui, Junzhi2,3
AbstractThis study proposes a new elastic-plastic deformation decomposition algorithm for metal clusters to calculate micro-nanoscale elastic and plastic deformation gradients. In the macroscopic plasticity theory, the intermediate configuration is usually constructed by the dissection-unloading method. Because an atomic cluster is equivalent to a small element on a macroscopic object, our decomposition algorithm regards the unloaded configuration as the intermediate configuration for atomic clusters. This algorithm uses a new unloading method to obtain the unloaded configuration. This micro-nanoscale unloading method is constructed based on the principle of minimum potential energy and the embedded-atom method. Moreover, this method rigidly fixes atoms around dislocations during unloading. Therefore, the unloading process will not cause new plastic flow. Once the intermediate configuration is obtained, elastic and plastic deformation gradients are calculated by the interpolation method. Numerical examples of Cu nanowire stretching and bending show that the new decomposition algorithm can accurately and rapidly conduct the elastic-plastic decomposition of the total deformation. This algorithm provides a computational basis for multiscale coupling analysis of mechanical behavior of metal materials from the micro-nanoscale to the macroscale.
KeywordMicro-nanoscale Elastic– plastic deformation decomposition algorithm Unloading method Intermediate configuration Principle of minimum potential energy Embedded-atom method
Indexed BySCI
Funding ProjectNational Natural Science Foundation of China[51739007] ; State Key Laboratory of Science and Engineering
WOS Research AreaMathematics ; Mechanics
WOS SubjectMathematics, Interdisciplinary Applications ; Mechanics
WOS IDWOS:000604482200001
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Document Type期刊论文
Corresponding AuthorYu, Yifan
Affiliation1.PLA Acad Mil Sci, Informat Res Ctr Mil Sci, Beijing 100142, Peoples R China
2.Chinese Acad Sci, Acad Math & Syst Sci, ICMSEC, LSEC, Beijing 100190, Peoples R China
3.Univ Chinese Acad Sci, Sch Math Sci, Beijing 100049, Peoples R China
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GB/T 7714
Yu, Yifan,Cui, Junzhi. Elastic-plastic deformation decomposition algorithm for metal clusters at the atomic scale[J]. COMPUTATIONAL MECHANICS,2021:15.
APA Yu, Yifan,&Cui, Junzhi.(2021).Elastic-plastic deformation decomposition algorithm for metal clusters at the atomic scale.COMPUTATIONAL MECHANICS,15.
MLA Yu, Yifan,et al."Elastic-plastic deformation decomposition algorithm for metal clusters at the atomic scale".COMPUTATIONAL MECHANICS (2021):15.
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