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作者:

Sun, Shuting (Sun, Shuting.) | Liu, Yangzhen (Liu, Yangzhen.) | Fu, Hanguang (Fu, Hanguang.) (学者:符寒光) | Guo, Xingye (Guo, Xingye.) | Ma, Shengqiang (Ma, Shengqiang.) | Lin, Jian (Lin, Jian.) | Guo, Gencai (Guo, Gencai.) | Lei, Yongping (Lei, Yongping.) (学者:雷永平) | Wang, Ruzhi (Wang, Ruzhi.) (学者:王如志)

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EI Scopus SCIE

摘要:

The mechanical properties and electronic structures of TiC and TiN with different doping ratio of vanadium (V) are studied in this work using the first principles calculations. The simulation results show that Ti1-xVxN has lower formation energy than Ti1-xVxC, suggesting higher chemical stability of Ti1-xVxN. Ti0.25V0.75C and TiN show larger hardness than other Ti1-xVxC and Ti1-xVxN compounds. The anisotropic Young's modulus of Ti1-xVxC and Ti1-xVxN models are plotted in 3D surface constructions, and VN exhibited the strongest anisotropy. The uniaxial tensile simulation of Ti1-xVxC and Ti1-xVxN are conducted along [111] direction. The tensile strength of Ti1-xVxN is stronger than Ti1-xVxC. The tensile strength increases with the increasing of V-doping ratio. Furthermore, the electronic structures of Ti1-xVxC and Ti1-xVxN are estimated. The modeling techniques used in this work and the calculation results are helpful for systematically understanding the properties of Ti1-xVxC and Ti1-xVxN in nanoscale.

关键词:

anisotropic Young's modulus mechanical properties Ti1-xVxC Ti1-xVxN first principles calculations

作者机构:

  • [ 1 ] [Sun, Shuting]Beijing Univ Technol, Sch Mat Sci & Engn, 100 Pingle Garden, Beijing 100124, Peoples R China
  • [ 2 ] [Fu, Hanguang]Beijing Univ Technol, Sch Mat Sci & Engn, 100 Pingle Garden, Beijing 100124, Peoples R China
  • [ 3 ] [Guo, Xingye]Beijing Univ Technol, Sch Mat Sci & Engn, 100 Pingle Garden, Beijing 100124, Peoples R China
  • [ 4 ] [Lin, Jian]Beijing Univ Technol, Sch Mat Sci & Engn, 100 Pingle Garden, Beijing 100124, Peoples R China
  • [ 5 ] [Guo, Gencai]Beijing Univ Technol, Sch Mat Sci & Engn, 100 Pingle Garden, Beijing 100124, Peoples R China
  • [ 6 ] [Lei, Yongping]Beijing Univ Technol, Sch Mat Sci & Engn, 100 Pingle Garden, Beijing 100124, Peoples R China
  • [ 7 ] [Wang, Ruzhi]Beijing Univ Technol, Sch Mat Sci & Engn, 100 Pingle Garden, Beijing 100124, Peoples R China
  • [ 8 ] [Liu, Yangzhen]Xi An Jiao Tong Univ, Sch Mat Sci & Engn, Xian 710049, Shaanxi, Peoples R China
  • [ 9 ] [Ma, Shengqiang]Xi An Jiao Tong Univ, Sch Mat Sci & Engn, Xian 710049, Shaanxi, Peoples R China
  • [ 10 ] [Ma, Shengqiang]Virginia Tech, Dept Mech Engn, Blacksburg, VA 24061 USA

通讯作者信息:

  • 符寒光 王如志

    [Fu, Hanguang]Beijing Univ Technol, Sch Mat Sci & Engn, 100 Pingle Garden, Beijing 100124, Peoples R China;;[Wang, Ruzhi]Beijing Univ Technol, Sch Mat Sci & Engn, 100 Pingle Garden, Beijing 100124, Peoples R China

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来源 :

ADVANCED ENGINEERING MATERIALS

ISSN: 1438-1656

年份: 2018

期: 10

卷: 20

3 . 6 0 0

JCR@2022

ESI学科: MATERIALS SCIENCE;

ESI高被引阀值:260

被引次数:

WoS核心集被引频次: 13

SCOPUS被引频次: 13

ESI高被引论文在榜: 0 展开所有

万方被引频次:

中文被引频次:

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