Cu/Ni孪晶多层膜纳米划痕的分子动力学模拟
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- 英文论文题名：Molecular Dynamics Simulation of Nanoscratching on Cu/Ni Nanotwinned Multilayer Films
- 论文作者：李锐 ; 刘腾 ; 刘琳 ; 陈翔
- 英文论文作者：LI Rui ; LIU Teng ; LIU Lin ; CHEN Xiang ; Engineering Research Center of Automotive Electronics and Embedded System ; Chongqing University of Posts and Telecommunications
- 年：2016
- 作者机构：重庆邮电大学汽车电子与嵌入式系统工程研究中心;
- 论文关键词：原子尺度 ; 孪晶 ; 分子动力学 ; 纳米刻划
- 英文论文关键词：atomic scale ; twinning ; molecular dynamics ; nanoscratching
- 会议召开时间：2016-11-18
- 会议录名称：第一届先进材料前沿学术会议论文集（《材料导报》2016年第30卷第Z1期）
- 语种：中文
- 分类号：TB383.1
- 学会代码：CLDB
- 会议名称：第一届先进材料前沿学术会议
- 会议地点：中国陕西西安
- 主办单位：《材料导报》杂志社
- 学会名称：材料导报编辑部
- 页数：4
- 文件大小：952k
- 原文格式：O
- 会议级别：全国
摘要
实验方法无法直接观测纳米尺度刻划过程中材料内部的微结构演化规律,而计算机数值模拟方法可以从原子尺度对其进行分析。利用分子动力学方法对具有共格(连贯性)孪晶界面Cu/Ni多层膜的刻划过程进行模拟。在保持刻划速度90 m/s及刻划深度10 A条件下,研究共格孪晶界面Cu/Ni多层膜微结构塑性形变机理。仿真结果表明,部分孪晶界面会平行于原有孪晶界面移动,且划头划过之后的孪晶界面会吸收大量的堆垛层错。通过对不同厚度的孪晶样品进行纳米刻划模拟仿真,结果显示孪晶厚度越薄,样品所受平均摩擦力和平均摩擦系数越小。
It can not directly observe the evolution of microstructures in materials during nanoscale scratching by experiment,but computer numerical simulation can be used to analyze from atomic scale.The nanoscratching of the Cu/Ni multi-layer with coherent twin interfaces was simulated by molecular dynamics method.Under the scratching speed of 90 m/s and scratching depth of 10 A,the micros tructure plastic deformation mechanism of Cu/Ni multi-layer is studied.The simulation results show that some twin boundaries move in parallel with the original twin boundaries,and the twin boundaries after scratching will absorb a lot of stacking faults.The results also show that the average friction force and friction coefficient of specimens decrease with the twinning thickness becoming thinner.
It can not directly observe the evolution of microstructures in materials during nanoscale scratching by experiment,but computer numerical simulation can be used to analyze from atomic scale.The nanoscratching of the Cu/Ni multi-layer with coherent twin interfaces was simulated by molecular dynamics method.Under the scratching speed of 90 m/s and scratching depth of 10 A,the micros tructure plastic deformation mechanism of Cu/Ni multi-layer is studied.The simulation results show that some twin boundaries move in parallel with the original twin boundaries,and the twin boundaries after scratching will absorb a lot of stacking faults.The results also show that the average friction force and friction coefficient of specimens decrease with the twinning thickness becoming thinner.
引文
1黄高山,梅永丰.纳米薄膜及相应三维结构的构建,特性及应用[J].中国科学:技术科学,2016,46(2):142.
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9 Peng P,Liao G,Shi T,et al.Molecular dynamic simulations of nanoindentation in aluminum thin film on silicon substrate[J].Appl Surf Sci,2010,256(21):6284.
10 Chang W Y,Fang T H,Lin S J,et al.Nanoindentation response of nickel surface using molecular dynamics simulation[J].Molecular Simulation,2010,36(11):815.
11 Liyanage LSI,Houze J,Kim S,et al.Structural,elastic and thermal properties of cementite(FeMYM_3MYMC)calculated using modified embedded atom method[J].Phys Rev B,2014,89(9):106.
12 Fu T,Peng X,Weng S,et al.Molecular dynamics simulation of effects of twin interfaces on Cu/Ni multilayers[J].Mater Sci Eng A,2016,658:1.
2 Cheng D,Yan Z J,Yan L.Misfit dislocation network in Cu/Ni multilayers and its behaviors during scratching[J].Thin Solid Films,2007,515(7):3698.
3 Imran M,Hussain F,Rashid M,et al.Molecular dynamics study of the mechanical characteristics of Ni/Cu bilayer using nanoindentation[J].Chin Phys B,2012,21(12):389.
4 Wang J,Misra A.An overview of interface-dominated deformation mechanisms in metallic multilayers[J].Current Opinion Solid State Mater Sci,2011,15(1):20.
5 Weng S,Ning H,Hu N,et al.Strengthening effects of twin interface in Cu/Ni multilayer thin films—A molecular dynamics study[J].Mater Des,2016,111:1.
6 Fu T,Peng X,Chen X,et al.Molecular dynamics simulation of nanoindentation on Cu/Ni nanotwinned multilayer films using a spherical indenter[J].Sci Rep,2016,6:35665.
7 Foiles S M,Baskes M I,Daw M S.Erratum:Embedded-atommethod functions for the fcc metals Cu,Ag,Au,Ni,Pd,Pt,and their alloys[J].Phys Rev B,1986,33(12):7983.
8 Johnson R A.Alloy models with the embedded-atom method[J].Phys Rev B,1989,39(17):12554.
9 Peng P,Liao G,Shi T,et al.Molecular dynamic simulations of nanoindentation in aluminum thin film on silicon substrate[J].Appl Surf Sci,2010,256(21):6284.
10 Chang W Y,Fang T H,Lin S J,et al.Nanoindentation response of nickel surface using molecular dynamics simulation[J].Molecular Simulation,2010,36(11):815.
11 Liyanage LSI,Houze J,Kim S,et al.Structural,elastic and thermal properties of cementite(FeMYM_3MYMC)calculated using modified embedded atom method[J].Phys Rev B,2014,89(9):106.
12 Fu T,Peng X,Weng S,et al.Molecular dynamics simulation of effects of twin interfaces on Cu/Ni multilayers[J].Mater Sci Eng A,2016,658:1.