Temperature-dependent deformation in silver-particle-covered copper nanowires by molecular dynamics simulation  

作　　者：Pengtao Li Y.Q.Yang Vladimir Koval Xian Luo Jianxin Chen Wei Zhang E.Emily Lin Bowen Wang Haixue Yan 

机构地区：[1]State Key Laboratory of Solidification Processing,Northwestern Polytechnical University,Xi'an,710072,China [2]Institute of Materials Research,Slovak Academy of Sciences,Kosice,04001,Slovakia [3]School of Chemistry and Chemical Engineering,Northwestern Polytechnical University,Xi'an,71072,China [4]Northwest Institute for Nonferrous Metal Research,Xi'an,710016,China [5]School of Engineering&Material Science,Queen Mary University of London,Mile End Road,E14NS,London,United Kingdom

出　　处：《Journal of Materiomics》2022年第1期68-78,共11页无机材料学学报（英文）

基　　金：financial support of the National Natural Science Foundation of China(51901184,21975204);the 111 Project of China(B08040);the Natural Science Foundation of Shannxi Province(2021JM-061);supported by High Performance Computing Center of NPU;supported by the QMUL ITS Research;the support of the China Scholarship Council(CSC No.201806290286);the Grant Agency of the Slovak Academy of Sciences(Grant No.2/0038/20).

摘　　要：Cu nanowires covered by Ag particles is studied for potential applications in the next-generation microelectronics.To date,the deformation mechanism in the Cu-Ag core-particle is not clear.Here,molecular dynamics simulation is used to describe the Cu-Ag core-particle system.The results show that the equilibrium structure of Ag particles is reconstructed,when the particle≤1.0 nm.At low temperature(1 K)indicate that three different deformation processes take part in the core-particle structure,depending on the size of Ag particles.When the particle diameter≤2.0 nm,the prevailing deformation mechanism is the emission of dislocations from the Cu surface.For the particle diameters ranging from 3.0 to 6.0 nm,the emission of misfit dislocations from the Ag-Cu interface is the dominant deformation mechanism.If the Ag particle≥6.0 nm,the deformation mechanism can be characterized by the slip band,consisting of the dislocations and amorphous atoms.For elevated temperatures(2-400 K),the mechanical properties of the Ag-Cu core-shell system are nearly independent of temperature,whereas the structure with particles larger than 2.0 nm showed a strong dependence of its mechanical properties on temperature.Based on the results,the diameter-temperature plastic deformation map is proposed.

关 键 词：NANOWIRES DEFORMATION CU-AG Nano particle DISLOCATION 

分 类 号：TB383[一般工业技术—材料科学与工程]