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Atomistic insights on the influence of pre-oxide shell layer and size on the compressive mechanical properties of nickel nanowires
Aral G1; Islam M2; Wang YJ(王云江)3; Ogata S4,5; van Duin ACT6
Corresponding AuthorAral, Gurcan(gurcanaral@iyte.edu.tr)
Source PublicationJOURNAL OF APPLIED PHYSICS
2019-04-28
Volume125Issue:16Pages:13
ISSN0021-8979
AbstractWe used ReaxFF reactive molecular dynamics simulations to systematically investigate the effects of a pre-oxide shell layer on the mechanical properties of [001]-oriented nickel (Ni) nanowires (NWs) under the uniaxial compressive loading at room temperature. The pristine Ni NWs are considered as references to compare the mechanical properties of the oxide-coated NWs. We found that the mechanical properties of pristine Ni NWs under uniaxial compression are sensitive to both the diameter of the NWs and the pre-oxide shell layer, and their combined effect determines the overall stress and strain behaviors. The compressive strength of the pristine NWs decreases significantly with the decreasing diameter. We observe that the native defected amorphous pre-oxide shell layer with similar to 1.0 nm thickness leads to a lowering of the mechanical compressive resistivity of NWs and causes additional softening. Oxide-coated NWs exhibit a lesser size-dependent unique properties and a lower overall yield strength compared to their pristine counterparts. The reduction of the mechanical compressive yield stress and strain with the decreasing diameter is due to the substantial changes in plastic flow as well as correlated with the existence of the pre-oxide shell layer as compared to its pristine counterpart. Particularly, pre-oxide shell layers have pronounced effects on the initiation of initial dislocations to onset plastic deformation and consequently on the overall plastic response. Published under license by AIP Publishing.
DOI10.1063/1.5080640
URL查看原文
Indexed BySCI ; EI
Language英语
WOS IDWOS:000466779900034
WOS KeywordMOLECULAR-DYNAMICS ; DISLOCATION NUCLEATION ; OXIDATION ; BEHAVIOR ; STRESS ; SCALE ; NI
WOS Research AreaPhysics
WOS SubjectPhysics, Applied
Funding ProjectScientific and Technological Research Council of Turkey (TUBITAK)-BIDEB 2219[1059B191400364] ; Elements Strategy Initiative for Structural Materials (ESISM) ; JSPS KAKENHI[JP18H05453] ; JSPS KAKENHI[JP25630013] ; JSPS KAKENHI[JP17H01238] ; JSPS KAKENHI[JP17K18827]
Funding OrganizationScientific and Technological Research Council of Turkey (TUBITAK)-BIDEB 2219 ; Elements Strategy Initiative for Structural Materials (ESISM) ; JSPS KAKENHI
Classification二类
Ranking3
ContributorAral, Gurcan
Citation statistics
Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/79188
Collection非线性力学国家重点实验室
Affiliation1.Izmir Inst Technol, Dept Phys, TR-35430 Izmir, Turkey;
2.Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA;
3.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China;
4.Osaka Univ, Dept Mech Sci & Bioengn, Osaka 5608531, Japan;
5.Kyoto Univ, Ctr Elements Strategy Initiat Struct Mat ESISM, Kyoto 6068501, Japan;
6.Penn State Univ, Dept Mech & Nucl Engn, State Coll, PA 16801 USA
Recommended Citation
GB/T 7714
Aral G,Islam M,Wang YJ,et al. Atomistic insights on the influence of pre-oxide shell layer and size on the compressive mechanical properties of nickel nanowires[J]. JOURNAL OF APPLIED PHYSICS,2019,125,16,:13.
APA Aral G,Islam M,王云江,Ogata S,&van Duin ACT.(2019).Atomistic insights on the influence of pre-oxide shell layer and size on the compressive mechanical properties of nickel nanowires.JOURNAL OF APPLIED PHYSICS,125(16),13.
MLA Aral G,et al."Atomistic insights on the influence of pre-oxide shell layer and size on the compressive mechanical properties of nickel nanowires".JOURNAL OF APPLIED PHYSICS 125.16(2019):13.
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