Effective formation energies of atomic defects in D03-Fe3Al: An ab-initio study

被引:0
|
作者
Max-Planck-Inst fuer Metallforschung, Stuttgart, Germany [1 ]
机构
来源
Intermet | / 597-600期
关键词
D O I
暂无
中图分类号
学科分类号
摘要
14
引用
收藏
相关论文
共 50 条
  • [41] Ab-initio study of mechanical properties of transition-metal aluminides:: a case study for Al3(V,Ti)
    Jahnátek, M
    Krajcí, M
    Hafner, J
    MATERIALS STRUCTURE & MICROMECHANICS OF FRACTURE IV, 2005, 482 : 139 - 142
  • [42] Understanding the stability of Fe incorporation within Mn3N2(001) surfaces: An ab-initio study
    Guerrero-Sanchez, J.
    Mandru, Andrada-Oana
    Takeuchi, Noboru
    Cocoletzi, Gregorio H.
    Smith, Arthur R.
    APPLIED SURFACE SCIENCE, 2016, 363 : 651 - 658
  • [43] Standard Gibbs energies of formation and equilibrium constants from ab-initio calculations: Covalent dimerization of NO2 and synthesis of NH3
    Awasthi, Neha
    Ritschel, Thomas
    Lipowsky, Reinhard
    Knecht, Volker
    JOURNAL OF CHEMICAL THERMODYNAMICS, 2013, 62 : 211 - 221
  • [44] Ab-initio Study of Pressure Evolution of Structural, Mechanical and Magnetic Properties of Cementite (Fe3C) Phase
    Gorai, S.
    Ghosh, P. S.
    Bhattacharya, C.
    Arya, A.
    62ND DAE SOLID STATE PHYSICS SYMPOSIUM, 2018, 1942
  • [45] DRIFTS, XPS, XAS, AND AB-INITIO STUDY OF LANTHANIDE OXIDES SUPPORTED ON GAMMA-AL2O3
    CAPITAN, MJ
    CENTENO, MA
    MALET, P
    CARRIZOSA, I
    ODRIOZOLA, JA
    MARQUEZ, A
    SANZ, JF
    JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (13): : 4655 - 4660
  • [46] AB-INITIO STUDY OF THE COORDINATION MODES OF TETRAHYDROBORATO LIGANDS - STRUCTURE AND REACTIVITY OF THE AL(BH4)3 COMPLEX
    DEMACHY, I
    VOLATRON, F
    INORGANIC CHEMISTRY, 1994, 33 (18) : 3965 - 3969
  • [47] Ab initio study of energy parameters in DO3 phase of Fe-Al alloy
    Dorfman, S
    Liubich, V
    Fuks, D
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1999, 75 (4-5) : 927 - 941
  • [48] A thermodynamic study of the D03-ordered intermetallic compound Fe3Al
    Huang, Yongzhang
    Yuan, Wenxia
    Qiao, Zhiyu
    Semenova, Olga
    Bester, Gabriel
    Ipser, Herbert
    JOURNAL OF ALLOYS AND COMPOUNDS, 2008, 458 (1-2) : 277 - 281
  • [49] Ab-initio calculations of mechanical and thermodynamic properties of TM (transition metal: 3d and 4d)-doped Pt3Al
    Pan, Yong
    Wen, Ming
    VACUUM, 2018, 156 : 419 - 426
  • [50] Optical properties of ideal γ-Al2O3 and with oxygen point defects: an ab initio study
    Papi, H.
    Jalali-Asadabadi, S.
    Nourmohammadi, A.
    Ahmad, Iftikhar
    Nematollahi, J.
    Yazdanmehr, M.
    RSC ADVANCES, 2015, 5 (68) : 55088 - 55099