TY - JOUR
T1 - Molecular dynamics simulation of nano-indentation of (111) cubic boron nitride with optimized Tersoff potential
AU - Zhao, Yinbo
AU - Peng, Xianghe
AU - Fu, Tao
AU - Huang, Cheng
AU - Feng, Chao
AU - Yin, Deqiang
AU - Wang, Zhongchang
N1 - Funding Information:
The authors gratefully acknowledge the financial support through National Natural Science Foundation of China (Grant nos. 11332013 and 11272364 ), the Chongqing Graduate Student Research Innovation Project (grant no. CYB15029 ), the Scientific Research (B) (grant no. 15H04114 ), the Challenging Exploratory Research (grant no. 15K14117 ), the JSPS and CAS under Japan-China Scientific Cooperation Program , Shorai Foundation for Science and Technology and Chongqing Research Program of Basic Research and Frontier Technology (No. cstc2015jcyjA50008 ).
Publisher Copyright:
© 2016 Elsevier B.V. All rights reserved.
PY - 2016/9/30
Y1 - 2016/9/30
N2 - We conduct molecular dynamics simulation of nanoindentation on (111) surface of cubic boron nitride and find that shuffle-set dislocations slip along <112> direction on {111} plane at the initial stage of the indentation. The shuffle-set dislocations are then found to meet together, forming surfaces of a tetrahedron. We also find that the surfaces are stacking-fault zones, which intersect with each other, forming edges of stair-rod dislocations along <110> direction. Moreover, we also calculate the generalized stacking fault (GSF) energies along various gliding directions on several planes and find that the GSF energies of the <112>{111} and <110>{111} systems are relatively smaller, indicating that dislocations slip more easily along <110> and <112> directions on the {111} plane.
AB - We conduct molecular dynamics simulation of nanoindentation on (111) surface of cubic boron nitride and find that shuffle-set dislocations slip along <112> direction on {111} plane at the initial stage of the indentation. The shuffle-set dislocations are then found to meet together, forming surfaces of a tetrahedron. We also find that the surfaces are stacking-fault zones, which intersect with each other, forming edges of stair-rod dislocations along <110> direction. Moreover, we also calculate the generalized stacking fault (GSF) energies along various gliding directions on several planes and find that the GSF energies of the <112>{111} and <110>{111} systems are relatively smaller, indicating that dislocations slip more easily along <110> and <112> directions on the {111} plane.
KW - Cubic boron nitride
KW - Dislocation slip
KW - Molecular dynamics simulation
KW - Nano-indentation
KW - Stacking fault energy
KW - Tersoff potential
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U2 - 10.1016/j.apsusc.2016.04.054
DO - 10.1016/j.apsusc.2016.04.054
M3 - Article
AN - SCOPUS:84965134618
VL - 382
SP - 309
EP - 315
JO - Applied Surface Science
JF - Applied Surface Science
SN - 0169-4332
ER -