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摘要:
The corrosive wear resistance of copper-bearing HHCCI was tested through experiments and HRTEM, combined with first-principles calculations to study the atomic structure, interface fracture work, thermodynamic stability, electronic structure and bonding structure of six Fe3Cr4C3(01 1 0)/gamma-Fe(101) interface models with different termination methods. The HRTEM results show that the interface formed by (01 1 0) of M7C3-type carbide and (101) of the austenite matrix is a coherent interface. The first principles calculation results show that the interface formed by the Fe3Cr4C3(01 1 0)-Cr termination model and the gamma- Fe (101)-2 termination model has the highest interface bonding strength. The Fe-end/7Fe-2 interface model is the most stable. Both the interfacial chemical energy and the interfacial elastic energy will affect the overall thermodynamic stability of the Fe3Cr4C3(01 1 0)/gamma-Fe (101) interface. The fracture work of Fe3Cr4C3(01 1 0) and gamma- Fe (101) is greater than the corresponding interface adhesion work. Moreover, the fracture work on each terminal end of M7C3 along the (01 1 0) surface is higher than that on each terminal end of gamma- Fe along the (101) surface. The failure of HHCCI during corrosive wear may mainly occur in the interface area or the side close to the gamma- Fe matrix. The chemical bonds in the Fe-end/7Fe interface are mainly Fe-Fe metal bonds, Fe-Cr metal bonds and some Fe-C polar covalent bonds. The chemical bonds in the Cr-end/7Fe interface are mainly Cr-Fe metal bonds and some Cr-C polar covalent bonds. The chemical bonds in the C-end/7Fe interface are mainly composed of Cr-Fe metal bonds, C-Fe polar covalent bonds and part of C-Cr polar covalent bonds, as a result, each interface exhibits different corrosive wear resistance potentials.
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INTERMETALLICS
ISSN: 0966-9795
年份: 2024
卷: 175
4 . 4 0 0
JCR@2022
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