Molecular dynamics simulation of subsurface damage mechanism during nanoscratching of single crystal silicon

被引:37
作者
Dai, Houfu [1 ]
Li, Shaobo [1 ]
Chen, Genyu [2 ]
机构
[1] Guizhou Univ, Coll Mech Engn, Guiyang 550025, Guizhou, Peoples R China
[2] Hunan Univ, State Key Lab Adv Design & Mfg Vehicle Body, Changsha, Hunan, Peoples R China
基金
中国国家自然科学基金;
关键词
Molecular dynamics; phase transformation; dislocation; subsurface damage; scratch; INDUCED PHASE-TRANSFORMATIONS; MONOCRYSTALLINE SILICON; MATERIAL REMOVAL; RAMAN MICROSPECTROSCOPY; PLASTIC-DEFORMATION; CUTTING BEHAVIOR; TOOL; TEMPERATURE; STRESS; MODEL;
D O I
10.1177/1350650118765351
中图分类号
TH [机械、仪表工业];
学科分类号
0802 ;
摘要
Three-dimension molecular dynamics (MD) simulation is employed to investigate the nanoscratching process of monocrystalline silicon with diamond tools. The effects of tool geometry on subsurface damage and scratching surface integrity are investigated by analyzing phase transformation, chip, defect atoms, hydrostatic stress, von Mises stress and workpiece deformation. In addition, a theoretical analytical model to study the subsurface damage mechanism by analyzing the zone size of phase transformation and normal force with diamond tools at different half-apex angles on silicon surfaces is established. The results show that a bigger half apex angle causes a higher hydrostatic stress, a larger chip volume, a higher temperature and a higher potential energy, and increases subsurface damage. The results also reveal that the evolution of crystalline phases is consistent with the distribution of hydrostatic stress and temperature. In addition, tip scratching with a bigger half-apex angle would result in a larger scratching force and a bigger phase transformation zone, which is in good agreement with the results of the theoretical analytical model.
引用
收藏
页码:61 / 73
页数:13
相关论文
共 51 条
[1]  
Belak J, 1990, A MOLECULAR DYNAMICS
[2]   Crack initiation in relation to the tool edge radius and cutting conditions in nanoscale cutting of silicon [J].
Cai, M. B. ;
Li, X. P. ;
Rahman, M. ;
Tay, A. A. O. .
INTERNATIONAL JOURNAL OF MACHINE TOOLS & MANUFACTURE, 2007, 47 (3-4) :562-569
[3]   Influence of temperature on the anisotropic cutting behaviour of single crystal silicon: A molecular dynamics simulation investigation [J].
Chavoshi, Saeed Zare ;
Goel, Saurav ;
Luo, Xichun .
JOURNAL OF MANUFACTURING PROCESSES, 2016, 23 :201-210
[4]   Molecular dynamics simulation of phase transformations in silicon monocrystals due to nano-indentation [J].
Cheong, WCD ;
Zhang, LC .
NANOTECHNOLOGY, 2000, 11 (03) :173-180
[5]   DIRECT OBSERVATION AND ANALYSIS OF INDENTATION CRACKING IN GLASSES AND CERAMICS [J].
COOK, RF ;
PHARR, GM .
JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1990, 73 (04) :787-817
[6]   SILICON NANOPARTICLES Isolation leads to change [J].
Cross, Graham L. W. .
NATURE NANOTECHNOLOGY, 2011, 6 (08) :467-468
[7]   Comparison of subsurface damages on mono-crystalline silicon between traditional nanoscale machining and laser-assisted nanoscale machining via molecular dynamics simulation [J].
Dai, Houfu ;
Li, Shaobo ;
Chen, Genyu .
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 2018, 414 :61-67
[8]   Influence of laser nanostructured diamond tools on the cutting behavior of silicon by molecular dynamics simulation [J].
Dai, Houfu ;
Chen, Genyu ;
Li, Shaobo ;
Fang, Qihong ;
Hu, Bang .
RSC ADVANCES, 2017, 7 (25) :15596-15612
[9]   A molecular dynamics investigation into the mechanisms of material removal and subsurface damage of nanoscale high speed laser-assisted machining [J].
Dai, Houfu ;
Chen, Genyu .
MOLECULAR SIMULATION, 2017, 43 (01) :42-51
[10]   A numerical study of ultraprecision machining of monocrystalline silicon with laser nano-structured diamond tools by atomistic simulation [J].
Dai, Houfu ;
Chen, Genyu ;
Zhou, Cong ;
Fang, Qihong ;
Fei, Xinjiang .
APPLIED SURFACE SCIENCE, 2017, 393 :405-416