Scratching of copper with rough surfaces conducted by diamond tip simulated using molecular dynamics

The process of material removal of single crystal copper with rough surfaces subjected to nanoscale scratching is studied in the present paper. We explore the key material removal mechanism by means of the observed variation of material removal under different surface roughnesses, tool speeds, scratching directions, tip shapes, feeds, double tip, and single tip. The investigation reveals that a higher peak on the surface reduces the local area roughness, and a higher valley enhances the stability of surface structure. The plastic deformation by means of dislocation loop transfers from the surface of substrate to the interior of workpiece with the rough or smooth surface during scratching process. A higher scratching velocity results in the increasing surface smoothness and reducing the impact on the rough surface atoms. The scratching along the critical angle 45° between scratching direction and surface texture orientation makes the surrounding atoms produce the minimal variation structure, helps to improve the structural stability, and plays an important role in protecting the scratching surface. The double-tip and single-tip scratching under different scratching feeds makes the rough surface perpendicular to the scratching direction substantially covered by chips or side flow. For different tip shapes, a cone diamond tip causes less plastic deformation in the subsurface than a prismatic diamond tip due to using different diamond tips with a contact area unequal.

[1]  Jee-Gong Chang,et al.  Molecular dynamics simulation of nano-lithography process using atomic force microscopy , 2002 .

[2]  Tristan Sharp,et al.  Stiffness of contacts between rough surfaces. , 2010, Physical review letters.

[3]  A. Hartmaier,et al.  Mechanisms of anisotropic friction in nanotwinned Cu revealed by atomistic simulations , 2013 .

[4]  A. A. Nazarov,et al.  Continuum and atomistic studies of a disclinated crack in a bicrystalline nanowire , 2006 .

[5]  Fengwei Huo,et al.  Fabrication and size prediction of crystalline nanoparticles of silicon induced by nanogrinding with ultrafine diamond grits , 2012 .

[6]  Zhanqiang Liu,et al.  A numeric investigation of friction behaviors along tool/chip interface in nanometric machining of a single crystal copper structure , 2013 .

[7]  Jörg Stadler,et al.  IMD: A Software Package for Molecular Dynamics Studies on Parallel Computers , 1997 .

[8]  Alexander Hartmaier,et al.  Influence of crystal anisotropy on elastic deformation and onset of plasticity in nanoindentation -- a simulational study , 2008, 0812.1717.

[9]  Liangchi Zhang,et al.  Laser Bending of Silicon Sheet: Absorption Factor and Mechanisms , 2013 .

[10]  Hiroaki Tanaka,et al.  Towards a deeper understanding of wear and friction on the atomic scale—a molecular dynamics analysis , 1997 .

[11]  Xichun Luo,et al.  Multi-scale surface simulation of the KDP crystal fly cutting machining , 2014 .

[12]  H. Lee,et al.  Large scale molecular dynamics study of nanometric machining of copper , 2007 .

[13]  J. Jia,et al.  Adhesion and Friction Studies of Nano-textured Surfaces Produced by Self-Assembling Au Nanoparticles on Silicon Wafers , 2012, Tribology Letters.

[14]  Zhiyu Zhang,et al.  Effect of Nanoparticle Lubrication in Diamond Turning of Reaction-Bonded SiC , 2011, Int. J. Autom. Technol..

[15]  A. A. Nazarov,et al.  Atomistic simulations of the tensile strength of a disclinated bicrystalline nanofilm , 2008 .

[16]  Jean-François Molinari,et al.  Plastic activity in nanoscratch molecular dynamics simulations of pure aluminum , 2014 .

[17]  Xiangqian Jiang,et al.  An atomistic investigation on the mechanism of machining nanostructures when using single tip and multi-tip diamond tools , 2014 .

[18]  H. C. Andersen,et al.  Molecular dynamics study of melting and freezing of small Lennard-Jones clusters , 1987 .

[19]  Tao Sun,et al.  Molecular dynamics study of scratching velocity dependency in AFM-based nanometric scratching process , 2009 .

[20]  A. Stukowski Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool , 2009 .

[21]  F. Ponce,et al.  The effect of nanoscratching direction on the plastic deformation and surface morphology of InP crystals , 2013 .

[22]  James W. G. Tyrrell,et al.  Images of nanobubbles on hydrophobic surfaces and their interactions. , 2001, Physical review letters.

[23]  D. Guo,et al.  A novel model for undeformed nanometer chips of soft-brittle HgCdTe films induced by ultrafine diamond grits , 2012 .

[24]  J. Klafter,et al.  The nonlinear nature of friction , 2004, Nature.

[25]  D. Guo,et al.  Mechanical characteristics of nanocrystalline layers containing nanotwins induced by nanogrinding of soft-brittle CdZnTe single crystals , 2012 .

[26]  Weixing Xu,et al.  On the mechanics and material removal mechanisms of vibration-assisted cutting of unidirectional fibre-reinforced polymer composites , 2014 .

[27]  Mohamed Konneh,et al.  Surface finish prediction models for precision grinding of silicon , 2012 .

[28]  B. Bhushan,et al.  Role of surface roughness and lubricant film thickness in nanolubrication of sliding components in adaptive optics. , 2011, Journal of colloid and interface science.

[29]  Hui Wang,et al.  Molecular Dynamics Study on Friction Due to Ploughing and Adhesion in Nanometric Scratching Process , 2011 .

[30]  Xuesong Han,et al.  Investigation the complex dynamic evolvement mechanism of particle cluster and surface integrity in the chemical mechanical planarization , 2013 .

[31]  K. Cheng,et al.  Multi-scale simulation of the nano-metric cutting process , 2010 .

[32]  Roman Pohrt,et al.  Normal contact stiffness of elastic solids with fractal rough surfaces. , 2012, Physical review letters.

[33]  A. A. Nazarov,et al.  Competing relaxation mechanisms in a disclinated nanowire: temperature and size effects. , 2007, Physical review letters.

[34]  C. Chao,et al.  A novel method of centrifugal processing for the synthesis of lead–bismuth eutectic alloy nanospheres and nanowires , 2007 .

[35]  Zhenyu Zhang,et al.  A maximum in the hardness of nanotwinned cadmium telluride , 2014 .

[36]  Kishore,et al.  Studies on friction and transfer layer: role of surface texture , 2006 .

[37]  Liangchi Zhang,et al.  A molecular dynamics investigation into the mechanisms of subsurface damage and material removal of monocrystalline copper subjected to nanoscale high speed grinding , 2014 .

[38]  Han Huang,et al.  Grinding of silicon wafers using an ultrafine diamond wheel of a hybrid bond material , 2011 .

[39]  R. Kang,et al.  Characterization of microstructural stability for nanotwinned mercury cadmium telluride under cyclic nanoindentations , 2013 .

[40]  F. Fang,et al.  Multiscale simulations of nanoindentation and nanoscratch of single crystal copper , 2012 .

[41]  P. R. Larson,et al.  Friction Study of a Ni Nanodot-patterned Surface , 2007 .

[42]  A. A. Nazarov,et al.  Relaxation of a disclinated tricrystalline nanowire , 2008 .

[43]  Liangchi Zhang,et al.  Polishing of polycrystalline diamond by the technique of dynamic friction, part 4: Establishing the polishing map , 2009 .

[44]  L. Ren,et al.  Influence of double-tip scratch and single-tip scratch on nano-scratching process via molecular dynamics simulation , 2013 .

[45]  Liangchi Zhang,et al.  Dependence of pad performance on its texture in polishing mono-crystalline silicon wafers , 2010 .

[46]  Foiles,et al.  Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys. , 1986, Physical review. B, Condensed matter.

[47]  Liangchi Zhang,et al.  Surface integrity of PCD composites generated by dynamic friction polishing: Effect of processing conditions☆ , 2012 .

[48]  Xichun Luo,et al.  Investigation on the thermal effects during nanometric cutting process while using nanoscale diamond tools , 2014 .

[49]  J. Koplik,et al.  Molecular dynamics simulation of the motion of colloidal nanoparticles in a solute concentration gradient and a comparison to the continuum limit. , 2013, Physical review letters.

[50]  Q. Xue,et al.  Design and fabrication of nanopillar patterned au textures for improving nanotribological performance. , 2010, ACS applied materials & interfaces.