Published December 2019 | Version v1
Journal article Metadata-only

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

Creators

  • 1. Key Laboratory of Advanced Functional Materials, Ministry of Education, School of Materials Science and Engineering, Beijing University of Technology, Beijing 100124, PR (China)
  • 2. Faculty of Information Technology, Beijing University of Technology, Beijing 100124, PR (China)
  • 3. School of Automotive and Mechanical Engineering, Changsha University of Science and Technology, Changsha 410114, Hunan Province, PR (China)
  • 4. State Key Laboratory of Tribology, Department of Mechanical Engineering, Tsinghua University, Beijing 100084, PR (China)

Description

(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 γ-Ni/(Ti, Nb)C were systematically analyzed using first principles calculations. TEM results showed that the interface orientation relationship of γ-Ni/(Ti, Nb)C was [01¯0](202)//[001¯](220). For the γ-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 γ-Ni/(Ti, Nb)C may initiate at the interface or close to γ-Ni rather than (Ti, Nb)C. The bonding behavior of γ-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.

Additional details

Identifiers

DOI
10.1016/j.apsusc.2019.143742;
PII
S0169433219325395;

Publishing Information

Journal Title
Applied Surface Science
Journal Volume
496
Journal Page Range
vp.
ISSN
0169-4332
CODEN
ASUSEE

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
55101274
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
CARBON; CHEMICAL BONDS; DENSITY OF STATES; ELECTRONIC STRUCTURE; FRACTURE PROPERTIES; NICKEL
Descriptors DEC
ELEMENTS; MECHANICAL PROPERTIES; METALS; NONMETALS; TRANSITION ELEMENTS

Optional Information

Copyright
Copyright (c) 2019 Elsevier B.V. All rights reserved.