TY - JOUR
T1 - First-principles calculations of the twin boundary energies and adhesion energies of interfaces for cubic face-centered transition-metal nitrides and carbides
AU - Li, Tengfei
AU - Liu, Tianmo
AU - Wei, Hongmei
AU - Hussain, Shahid
AU - Wang, Jinxing
AU - Zeng, Wen
AU - Peng, Xianghe
AU - Wang, Zhongchang
N1 - Publisher Copyright:
© 2015 Elsevier B.V. All rights reserved.
PY - 2015/11/15
Y1 - 2015/11/15
N2 - The twin boundary energies of TiN, ZrN, HfN, TiC, ZrC, HfC, VC, NbC and TaC and the adhesion energies of twin interfaces and interfaces of TiN/ZrN, VC/TiC and TiN/TiC were calculated using first-principles methods. A new route in the preparation of mechanically superhard films has been proposed by introducing twin into the multilayer of transition-metal nitrides and carbides.
AB - The twin boundary energies of TiN, ZrN, HfN, TiC, ZrC, HfC, VC, NbC and TaC and the adhesion energies of twin interfaces and interfaces of TiN/ZrN, VC/TiC and TiN/TiC were calculated using first-principles methods. A new route in the preparation of mechanically superhard films has been proposed by introducing twin into the multilayer of transition-metal nitrides and carbides.
KW - First-principle calculation
KW - Hardness
KW - Interface structure
KW - Multilayer thin films
KW - Twinning
UR - https://www.scopus.com/pages/publications/84944312830
U2 - 10.1016/j.apsusc.2015.07.189
DO - 10.1016/j.apsusc.2015.07.189
M3 - 文章
AN - SCOPUS:84944312830
SN - 0169-4332
VL - 355
SP - 1132
EP - 1135
JO - Applied Surface Science
JF - Applied Surface Science
ER -