含微裂纹钨纳米板拉伸破坏机制的分子动力学研究Molecular dynamics of tensile fracture mechanism of tungsten nano-plate with microcrack
马彬;牛海华;朱林伟;
摘要(Abstract):
以含微裂纹缺陷的钨纳米板为研究对象,采用分子动力学方法模拟其在拉伸荷载作用下的变形破坏过程,揭示微裂纹的破坏机制以及对材料整体力学性能的影响规律。结果表明:含裂纹单晶钨纳米板的应力-应变曲线均可划分为弹性、孪晶、位错、裂纹扩展阶段,其中(010)[001]裂纹构型具有独特的相变平衡阶段。不同晶向裂纹起裂机理为(010)[001]构型裂纹沿结合能最低的相变区域交界处即初始方向起裂;(0-11)[100]构型裂纹沿BCC结构表面能最低的密排面(110)起裂。不同晶向裂纹的扩展方向在宏观意义上均与初始方向一致,(010)[001]构型裂纹沿相变后FCC结构原子的密排面(111)和(-111)开始交替扩展,裂口呈锯齿状,而(0-11)[100]构型裂纹裂口整齐平滑。(010)[001]构型裂纹的破坏形式为韧性破坏,(0-11)[100]构型裂纹的破坏形式为脆性破坏。
关键词(KeyWords): 钨纳米板;中心裂纹;力学性能;破坏机制;分子动力学
基金项目(Foundation): 广西高校中青年教师基础能力提升项目(2017KY0194)
作者(Author): 马彬;牛海华;朱林伟;
Email:
DOI: 10.14024/j.cnki.1004-244x.20190621.002
参考文献(References):
- [1]ZHANG Yongfeng,HUANG Hanchen.Do twin boundaries always strengthen metal nanowires?[J].Nanoscale Res Lett,2009,4(1):34-38.
- [2]LEE Y H,CHOI C H,JANG Y T,et al.Tungsten nanowires and their field emission properties[J].Appl Phys A,2003,77(1):159-161.
- [3]SINGH J P,KARABACAK T,LU T M,et al.Field ionization of argon usingβ-phase W nanorods[J].Applied Physics Letters,2004,85(15):3226-3228.
- [4]COSTA P M,FANG X,WANG S,et al.Two-probe electrical measurements in transmission electron microscopes-behavioral control of tungsten microwires[J].Microscopy Research and Technique,2009,72(2):93-100.
- [5]VADDIRAJU S,CHANDRASEKARAN H,SUNKARA M K.Vapor phase synthesis of tungsten nanowires[J].J Am Chem Soc,2003,125(36):10792-10793.
- [6]GUISE O L,AHNER J W,JUNG M C,et al.Reproducible electrochemical etching of tungsten probe tips[J].Nano Letters,2002,2(3):191-193.
- [7]KARABACAK T,WANG P L,WANG G C,et al.Phase transformation of single crystalβ-tungsten nanorods at elevated temperatures[J].Thin Solid Films,2005,493:293-296.
- [8]WANG S L,CHEN G L,HUANG H,et al.Vapor-phase synthesis,growth mechanism and thickness-independent elastic modulus of single-crystal tungsten nanobelts[J].Nanotechnology,2013,24:505705.
- [9]HUANG H,WU Y Q,WANG S L,et al.Mechanical properties of single crystal tungsten microwhiskers characterized by nanoindentation[J].Materials Science and Engineering A,2009,523:193-198.
- [10]VOLKER C,CLAUS-CHRISTIAN R,PEZOLDT J,et al.Nanomechanics of single crystalline tungsten nanowires[J].Journal of Nanomaterials,2008:638947.
- [11]MA Bin,RAO Qiuhua,HE Yuehui.Effect of crystal orientation on tensile mechanical properties of single-crystal tungsten nanowire[J].Transactions of Nonferrous Metals Society of China,2014,24(9):2904-2910.
- [12]MA Bin,RAO Qiuhua,HE Yuehui.Molecular dynamics simulation of temperature effect on tensile mechanical properties of single crystal tungsten nanowire[J].Computational Material Science,2016,117:40-44.
- [13]SAHA S,MOTALAB M A,MAHBOOB M.Investigation on mechanical properties of polycrystalline W nanowire[J].Computational Materials Science,2017,136:52-59.
- [14]FENG Y X,SHANG J X,QIN S J,et al.Twin and dislocation mechanisms in tensile W single crystal with temperature change:A molecular dynamics study[J].Phys Chem Chem Phys,2018,20:17727-17738.
- [15]XU Shouzhi,CHAVOSHI S Z.Uniaxial deformation of nanotwinned nanotubes in body-centered cubic tungsten[J].Current Applied Physics,2018,18:114-121.
- [16]SAHA S,MOTALAB M.Nature of creep deformation in nanocrystalline tungsten[J].Computational Materials Science,2018,149:360-372.
- [17]MARICHAL C,SWYGENHOVEN H V,PETEGEM S V,et al.{110}slip with{112}slip traces in bcc tungsten[J].Scientific Reports,2013,3:2547.
- [18]ZHOU X W,JOHNSON R A,WADLEY H N G.Misfit-energy-increasing dislocations invapor-deposited CoFe/NiFe multilayers[J].Phys Rev B,2004,69:144113.
- [19]ZHOU X W,WADLEY H N G.Atomistic simulation of the vapor depositionof Ni/Cu/Ni multilayers:Incident adatomangle effects[J].J Appl Phys,2000,87:553-563.
- [20]ZHOU X W,WADLEY H N G,JOHNSON R A,et al.Atomic scale structure of sputtered metal multilayers[J].Acta Mater,2001,49:4005-4015.
- [21]ALLEN M P,TILDESLEY D J.Computer simulation of liquids[M].Oxford:Clarendon Press,1987:78.
- [22]HOOVER W G.Canonical dynamics:Equilibrium phase-space distributions[J].Phys Rev A Gen Phys,1985,31(3):1695-1697.
- [23]WU H A.Molecular dynamics study of the mechanics of metal nanowires at finite temperature[J].Eur J Mech A Solids,2006,25:370-377.
- [24]TSUZUKI H,BRANICIO P S,RINO J P.Structural characterization of deformed crystals by analysis of common atomic neighborhood[J].Comput Phys Comm,2007,177:518-523.
- [25]CUI C B,BEOM H G.Molecular dynamics simulation of edge cracks in copper and aluminum single crystals[J].Material Science&Engineering A,2014,609:102-109.