期刊
METALS
卷 6, 期 7, 页码 -出版社
MDPI AG
DOI: 10.3390/met6070156
关键词
gamma-Fe /Cr2N interface; segregation; adhesive behavior; electronchemical property; first-principles
资金
- National Natural Science Foundation of China [51371123]
- National Natural Science Foundation of Shanxi province [2014011002]
- Research Fund for the Doctoral Program of Higher Education of China [20131402110003]
This study investigated the structural stability and electrochemical properties of alloying additives M (M = Mn, V, Ti, Mo, or Ni) at the gamma-Fe(111)/Cr2N(0001) interface by the first-principles method. Results indicated that V and Ti were easily segregated at the gamma-Fe(111)/Cr2N(0001) interface and enhanced interfacial adhesive strength. By contrast, Ni and Mo were difficult to segregate at the gamma-Fe(111)/Cr2N(0001) interface. Moreover, the results of the work function demonstrated that alloying additives Mn reduced local electrochemical corrosion behavior of the gamma-Fe(111)/Cr2N(0001) interface by cutting down Volta potential difference (VPD) between clean gamma-Fe(111) and Cr2N(0001), while alloying additives V, Ti, Mo, and Ni at the gamma-Fe(111)/Cr2N(0001) interface magnified VPD between clean gamma-Fe(111) and Cr2N(0001), which were low-potential sites that usually serve as local attack initiation points.
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