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Atomistic simulations of tensile deformation in a CrCoNi medium-entropy alloy with heterogeneous grain structures
Yuan FP(袁福平); Cheng WQ; Zhang SD; Liu XM(刘小明); Wu XL(武晓雷)
Source PublicationMaterialia
2020-09
Volume9Pages:100565
ISSN2589-1529
Abstract

Large-scale molecular dynamics simulations have been applied to investigate the atomistic deformation mechanisms of tensile deformation in a CrCoNi medium-entropy alloy with heterogeneous grain structures. After yielding, the heterogeneous grain structures show strong strain hardening due to grain-to-grain yielding and Masing hardening. The grain-to-grain yielding can be attributed to the various grain sizes and the different Schmidt factors. The HCP transformation and formation of hierarchical deformation nanotwins have been observed in the CrCoNi with heterogeneous grain structures due to the low stacking fault energy at cryogenic temperature. The HCP phase was found to be formed by simultaneous nucleation and propagation of intrinsic stacking faults at adjacent slip planes from grain boundaries (GBs). It was found that there is no equivalent strain partitioning between large grains and small grains in the heterogeneous grain structures, which can be attributed to that GBs of small grains can also accommodate significant shear strains due to the enhanced GB activities for small grains. While tensile strain partitioning between large grains and small grains in the heterogeneous grain structures was observed, and this tensile strain partitioning was found to become more obvious with increasing grain size ratio between large grains and small grains. The simulation results should provide insights of designing heterogeneous structures for achieving better mechanical properties. © 2019 Acta Materialia Inc.

KeywordHigh-entropy alloys Molecular dynamics simulation Phase transformation Plastic deformation mechanisms Strain partitioning Twinning
DOI10.1016/j.mtla.2019.100565
Indexed ByEI
Language英语
Funding OrganizationThe work was supported by the National Key R&D Program of China [grant number 2017YFA0204402] ; the National Natural Science Foundation of China [grant numbers 11672313 , 11572328 and 11790293 ], and the Strategic Priority Research Program of the Chinese Academy of Sciences[grant number XDB22040503]. The simulations reported in the present study were performed at Supercomputing Center of Chinese Academy of Sciences.
Ranking1
ContributorYuan, F.
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Cited Times:38[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/86647
Collection非线性力学国家重点实验室
Affiliation1.State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Science, 15 Beisihuan West Road, Beijing, 100190, China
2.School of Engineering Science, University of Chinese Academy of Sciences, 19A Yuquan road, Beijing, 100049, China
Recommended Citation
GB/T 7714
Yuan FP,Cheng WQ,Zhang SD,et al. Atomistic simulations of tensile deformation in a CrCoNi medium-entropy alloy with heterogeneous grain structures[J]. Materialia,2020,9:100565.
APA Yuan FP,Cheng WQ,Zhang SD,Liu XM,&Wu XL.(2020).Atomistic simulations of tensile deformation in a CrCoNi medium-entropy alloy with heterogeneous grain structures.Materialia,9,100565.
MLA Yuan FP,et al."Atomistic simulations of tensile deformation in a CrCoNi medium-entropy alloy with heterogeneous grain structures".Materialia 9(2020):100565.
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