微动界面连续干摩擦行为的分子动力学模拟
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摘要
为探究微动界面连续干摩擦过程中的分子运动规律,以晶体硅-金刚石耦合微动摩擦副为研究对象,建立了单凸体固-固接触模型,并以摩擦力响应和摩擦力垂直方向(z向)力学响应为表征量进行了分子动力学模拟分析。结果表明,在多次摩擦接触间隙,微动界面之间存在连续、波动的摩擦力学响应;连续摩擦接触过程中,受黏滑现象、单凸体变形回复以及界面上被磨损原子重新分布释放应力等过程影响,摩擦间隙仍会产生一定的z向力学响应,该力学响应的大小甚至会超过之后摩擦接触状态的力学响应,从而影响到固-固耦合微动界面的摩擦力学特性。
Aimed at exploring the continuous dry friction behavior at fretting interface, targeted at crystalline silicon-diamond coupled interface, the fretting interface model with single asperity for dry friction analysis is set up using LAMMPS(i.e., molecular dynamics simulation tool, MD). The micro-motion process is shown with clear images and symbolized with friction force response and the normal force. It is should be noted that during the whole process, including the intervals between direct friction contacts, there exists continuously turbulent force response. The results indicate that during the continuous single asperity contacts, influenced by the factors of stick-slip effects, deformation-recovery process and stress release of wore atoms, the friction contact intervals show friction response, possibly stronger than that of the direct friction contacts to the extent that the frictional characteristics of the coupled solid fretting interfaces can be affected.
Aimed at exploring the continuous dry friction behavior at fretting interface, targeted at crystalline silicon-diamond coupled interface, the fretting interface model with single asperity for dry friction analysis is set up using LAMMPS(i.e., molecular dynamics simulation tool, MD). The micro-motion process is shown with clear images and symbolized with friction force response and the normal force. It is should be noted that during the whole process, including the intervals between direct friction contacts, there exists continuously turbulent force response. The results indicate that during the continuous single asperity contacts, influenced by the factors of stick-slip effects, deformation-recovery process and stress release of wore atoms, the friction contact intervals show friction response, possibly stronger than that of the direct friction contacts to the extent that the frictional characteristics of the coupled solid fretting interfaces can be affected.
引文
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[3]樊康旗,贾建援.经典分子动力学模拟的主要技术[J].微纳电子技术,2005(3):133-137.FAN Kangqi,JIA Jianyuan.An overview on classical molecular dynamics[J].Micronanoelectric Technology,2005(3):133-137.
[4]文玉华,朱如曾,周复信,等.分子动力学模拟的主要技术[J].力学进展,2003,33(1):65-73.WEN Yuhua,ZHU Ruzeng,ZHOU Fuxin,et al.An overview on molecular dynamics Simulation[J].Advances in Mechanics,2003,33(1):65-73.
[5]李俊烨,董坤,王兴华,等.颗粒微切削表面创成的分子动力学仿真研究[J].机械工程学报,2016,52(17):94-104.LI Junye,DONG Kun,WANG Xinghua,et al.Molecular dynamics simulation research into generative mechanism of particles micro-cutting surface[J].Journal of Mechanical Engineering,2016,52(17):94-104
[6]WU Chengda.Molecular dynamics simulation of nanotribology properties of Cu Zr metallic glasses[J].Applied Physics A-Materials Science&Processing,2016,122:486.
[7]EDER S J,CIHAK-BAYR U,BIANCHI D.Single-asperity contributions to multi-asperity wear simulated with molecular dynamics[J].Materials Science and Engineering.2016,119:p012009.
[8]ARISTIZABAL H D,PARRA P A,LOPEZ P,et al.Atomic-scale simulations of material behaviors and tribology properties for BCC metal film[J].Chinese Physics B,2016,25(1):010204.
[9]ZHENG X,ZHU H T,KOSASIH B,et al.A molecular dynamics simulation of boundary lubrication:The effect of n-alkanes chain length and normal load[J].Wear,2013,301:62-69.
[10]ZHENG X,ZHU H T,KIET T A,et al.Roughness and lubricant effect on 3D atomic asperity contact[J].Tribology Letters,2014,53:215-223.
[11]LIU X M,LIU Z L,WEI Y G.Nanoscale friction behavior of the Ni-film/substrate system under scratching using MD simulation[J].Tribology Letters,2012,46:167-178.
[12]SHA Z D,SORKIN V,BRANICIO P S,et al.Large-scale molecular dynamics simulations of wear in diamond-like carbon at the nanoscale[J].Applied Physics Letters,2013,103:073118.
[13]DAI L,SORKIN V,SHA ZD,et al.Molecular dynamics simulations on the frictional behavior of a perfluoropolyether film sandwiched between diamond-like-carbon coatings[J].Langmuir,2014,30:1573-1579.
[14]VARGONEN M,YANG Y J,HUANG L P,et al.Molecular simulation of tip wear in a single asperity sliding contact[J].Wear,2013,307:150-154.
[15]FENNELL C J,GEZELTER J D.Is the Ewald summation still necessary?Pairwise alternatives to the accepted standard for long-range electrostatics[J].Journal of Chemical Physics,2006,124:234104.
[16]TERSOFF J.Empirical interatomic potential for carbon,with applications to amorphous carbon[J].Physical Review Letters,1988,61:2879-2882.
[17]ERHART P,ALBE K.Analytical potential for atomistic simulations of silicon,carbon and silicon carbon[J].Physical Review B,2005,71:035211.
[18]WANG ZG,ZHENG P,CHEN JX,BAI QS,LIANG YC.Effect of C-C bond breakage on diamond tool wear in nanometric cutting of silicon[J].Acta Physica Sinica,2015,64(19):198104.
[19]XIONG Q L,TIAN X G.Atomistic simulations of interfacial mechanical characteristics of carbon nanotube/silicon nano composites[J].Molecular Simulation,2015,41(13):1051-1059.