Atomistic simulation on the nano-scale oxidation of Fe-Cr alloy surfaces and the diffusion behavior of oxygen

被引:4
|
作者
Yang, Xiaoyue [1 ,2 ]
Xu, Shuang [1 ,2 ]
Liu, Lisheng [1 ,2 ]
Chen, Zhihong [2 ]
Liu, Jili [1 ,2 ]
机构
[1] Wuhan Univ Technol, Hubei Key Lab Theory & Applicat Adv Mat Mech, Wuhan 430070, Peoples R China
[2] Wuhan Univ Technol, Sch Sci, Wuhan 430070, Peoples R China
关键词
Molecular dynamics; Fe-Cr alloy; Oxidation resistance; Diffusion; FERRITIC-MARTENSITIC STEELS; OXIDE; ENVIRONMENTS; PLATINUM; FE(110); STRESS; NICKEL;
D O I
10.1016/j.cplett.2023.140833
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The oxidation of Fe-Cr alloy surfaces was performed by reactive molecular dynamics (MD) simulations. The results shown that the addition of Cr caused a slow internal diffusion of oxygen with a thinner oxide layer in the Fe-Cr alloy, indicating improved oxidation resistance. Furthermore, the achievement of the saturation point in the diffusion flux of oxygen in Fe-Cr alloy was closely linked to the oxide structure, the formation of FeO may inhibit further oxidation by preventing more oxygen ions from reaching the unoxidized interior. Therefore, the evolution of oxide structure played a crucial role in improving the oxidation resistance of Fe-Cr alloys.
引用
收藏
页数:6
相关论文
共 50 条
  • [41] The oxidation resistance behavior of the new type Fe-Cr based superalloys
    Han, MF
    Yang, CB
    Peng, SP
    RARE METAL MATERIALS AND ENGINEERING, 2005, 34 : 372 - 375
  • [42] Effect of Cr content and water vapor on fracture behavior of the scales formed on Fe and Fe-Cr alloy
    Yanagihara, K.
    Renusch, D.
    Roehrig, M.
    Schuetze, M.
    HIGH-TEMPERATURE OXIDATION AND CORROSION 2005, 2006, 522-523 : 497 - 504
  • [43] Features of primary radiation damage in Fe-Cr alloy near free surfaces
    Korchuganov, A. V.
    Zolnikov, K. P.
    Kryzhevich, D. S.
    XXXII INTERNATIONAL CONFERENCE ON INTERACTION OF INTENSE ENERGY FLUXES WITH MATTER (ELBRUS 2017), 2018, 946
  • [44] OXIDATION BEHAVIOR OF FE-CR ALLOYS AFTER COATING BY INORGANIC SALTS
    GONCEL, OT
    JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 1981, 128 (03) : C74 - C74
  • [45] Improvement of Oxidation Resistance of Fe-Cr Ferritic Alloy Sheets for SOFC Interconnects
    Uehara, Toshihiro
    Yasuda, Nobutaka
    Ohno, Takehiro
    Toji, Akihiro
    ELECTROCHEMISTRY, 2009, 77 (02) : 131 - 133
  • [46] Improvement of Oxidation Resistance of Fe-Cr Ferritic Alloy Sheets for SOFC Interconnects
    Yasuda, N.
    Uehara, T.
    Okamoto, M.
    Aoki, C.
    Ohno, T.
    Toji, A.
    SOLID OXIDE FUEL CELLS 11 (SOFC-XI), 2009, 25 (02): : 1447 - 1453
  • [47] First-principles study of chromium diffusion in the ferritic Fe-Cr alloy
    Wang, Li-Peng
    Yang, Wen
    Ma, Zhang-Bo
    Zhu, Jia-Hong
    Li, Yong-Tang
    COMPUTATIONAL MATERIALS SCIENCE, 2020, 181
  • [48] EVIDENCE FROM XANES FOR THE PRESENCE OF CR(VI) IN THE OXIDE SCALE ON AN FE-CR ALLOY SURFACE
    LONG, GG
    KRUGER, J
    TANAKA, D
    JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 1987, 134 (01) : 264 - 265
  • [49] Effect of admixtures of oxygen on the oxidation of iron and Fe-Cr alloys in lead melts
    Fedirko, VM
    Eliseeva, OI
    Kalyandruk, VI
    Lopushans'kyi, VA
    MATERIALS SCIENCE, 1997, 33 (03) : 358 - 363
  • [50] Effect of grain boundaries on the formation of oxide scale in Fe-Cr alloy for SOFCs
    Horita, Teruhisa
    Kishimoto, Haruo
    Yamaji, Katsuhiko
    Xiong, Yueping
    Sakai, Natsuko
    Bri'to, Manuel E.
    Yokokawa, Harumi
    SOLID STATE IONICS, 2008, 179 (27-32) : 1320 - 1324