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[期刊论文]

The stability, fracture toughness and electronic structure at gamma-Ni (101)/(Ti, Nb)C (110) interface: A first-principles investigation

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Author:

Sun, Shuting (Sun, Shuting.) | Fu, Hanguang (Fu, Hanguang.) (Scholars:符寒光) | Chen, Shuangye (Chen, Shuangye.) | Unfold

Indexed by:

EI Scopus SCIE

Abstract:

(Ti, Nb)C particles reinforced Ni45 coatings were made by a fiber laser system. The atomic structure, interfacial stability, interfacial fracture toughness, electronic structure and bonding nature of gamma-Ni/(Ti, Nb)C were systematically analyzed using first principles calculations. TEM results showed that the interface orientation relationship of gamma-Ni/(Ti, Nb)C was [0 (1) over bar0](202)//[00 (1) over bar](220). For the gamma-Ni/(Ti, Nb)C interfaces, the stacking sites have much influence than the substitution position of Ti, the center-site stacking interfaces shower higher adhesion work and lower interface energy, indicating the interfacial alloying or new phases were prone to formed. According to the interfacial fracture toughness results, the mechanical failure of gamma-Ni/(Ti, Nb)C may initiate at the interface or close to gamma-Ni rather than (Ti, Nb)C. The bonding behavior of gamma-Ni/(Ti, Nb)C was a blend of covalent bond and partial ionic bond. The chemical bonding properties of interfacial atoms were also discussed in view of electronic structure and partial density of states (PDOS) results.

Keyword:

Interfacial fracture toughness First principles Interface stability gamma-Ni/(Ti, Nb)C interface Electronic structure

Author Community:

  • [ 1 ] [Sun, Shuting]Beijing Univ Technol, Sch Mat Sci & Engn, Key Lab Adv Funct Mat, Minist Educ, Beijing 100124, Peoples R China
  • [ 2 ] [Fu, Hanguang]Beijing Univ Technol, Sch Mat Sci & Engn, Key Lab Adv Funct Mat, Minist Educ, Beijing 100124, Peoples R China
  • [ 3 ] [Ping, Xuelong]Beijing Univ Technol, Sch Mat Sci & Engn, Key Lab Adv Funct Mat, Minist Educ, Beijing 100124, Peoples R China
  • [ 4 ] [Guo, Xingye]Beijing Univ Technol, Sch Mat Sci & Engn, Key Lab Adv Funct Mat, Minist Educ, Beijing 100124, Peoples R China
  • [ 5 ] [Lin, Jian]Beijing Univ Technol, Sch Mat Sci & Engn, Key Lab Adv Funct Mat, Minist Educ, Beijing 100124, Peoples R China
  • [ 6 ] [Lei, Yongping]Beijing Univ Technol, Sch Mat Sci & Engn, Key Lab Adv Funct Mat, Minist Educ, Beijing 100124, Peoples R China
  • [ 7 ] [Chen, Shuangye]Beijing Univ Technol, Fac Informat Technol, Beijing 100124, Peoples R China
  • [ 8 ] [Kuang, Jiacai]Changsha Univ Sci & Technol, Sch Automot & Mech Engn, Changsha 410114, Hunan, Peoples R China
  • [ 9 ] [Deng, Yingjun]Changsha Univ Sci & Technol, Sch Automot & Mech Engn, Changsha 410114, Hunan, Peoples R China
  • [ 10 ] [Wang, Kaiming]Tsinghua Univ, State Key Lab Tribol, Dept Mech Engn, Beijing 100084, Peoples R China

Reprint Author's Address:

  • 符寒光

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

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Source :

APPLIED SURFACE SCIENCE

ISSN: 0169-4332

Year: 2019

Volume: 496

6 . 7 0 0

JCR@2022

ESI Discipline: MATERIALS SCIENCE;

ESI HC Threshold:211

JCR Journal Grade:1

Cited Count:

WoS CC Cited Count: 17

SCOPUS Cited Count: 16

30 Days PV: 3

Online/Total:223/5866424
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