Atomistic insights on the influence of pre-oxide shell layer and size on the compressive mechanical properties of nickel nanowires

doi:10.1063/1.5080640

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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 G 1; Islam M 2; Wang YJ(王云江)3 ; Ogata S 4,5; van Duin ACT 6
通讯作者	Aral, Gurcan(gurcanaral@iyte.edu.tr)
发表期刊	JOURNAL OF APPLIED PHYSICS
	2019-04-28
卷号	125 期号:16 页码:13
ISSN	0021-8979
摘要	We 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.
DOI	10.1063/1.5080640
URL	查看原文
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:000466779900034
关键词[WOS]	MOLECULAR-DYNAMICS ; DISLOCATION NUCLEATION ; OXIDATION ; BEHAVIOR ; STRESS ; SCALE ; NI
WOS研究方向	Physics
WOS类目	Physics, Applied
资助项目	Scientific 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]
项目资助者	Scientific and Technological Research Council of Turkey (TUBITAK)-BIDEB 2219 ; Elements Strategy Initiative for Structural Materials (ESISM) ; JSPS KAKENHI
论文分区	二类
力学所作者排名	3
RpAuthor	Aral, Gurcan
引用统计	被引频次：4[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/311007/79188
专题	非线性力学国家重点实验室
作者单位	1.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
推荐引用方式 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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