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
  • [21] Density Functional Theory and ab initio molecular dynamics study of the effect of Ti and Zr transition metals in D03 Fe3Al
    Chentouf, Sara
    Raulot, Jean-Marc
    Aourag, Hafid
    Grosdidier, Thierry
    THERMEC 2011, PTS 1-4, 2012, 706-709 : 1095 - +
  • [22] Ab-initio study of C and N point defects in the C14-Fe2Nb phase
    Ladines, A. N.
    Drautz, R.
    Hammerschmidt, T.
    JOURNAL OF ALLOYS AND COMPOUNDS, 2017, 693 : 1315 - 1322
  • [23] Ab-initio study of C and N point defects in the C14-Fe2Nb phase
    Ladines, A.N. (alvin.collado@rub.de), 1600, Elsevier Ltd (693):
  • [24] Computational modelling of atomic configurations of point defects in the D03-superstructure type Fe3Al alloy containing planar defects
    Baranov, MA
    Starostenkov, MD
    Nikiforov, AG
    METALLOFIZIKA I NOVEISHIE TEKHNOLOGII, 1998, 20 (04): : 43 - 51
  • [25] Born effective charges and electric polarization in bulk ε-Fe2O3: An ab-initio approach
    Ahamed, Imran
    Skomski, Ralph
    Kashyap, Arti
    CHEMICAL PHYSICS, 2020, 535
  • [26] The migration and formation energies of N-interstitials near [001] Fe surfaces: an ab initio study
    Autry, L.
    Ramprasad, R.
    JOURNAL OF MATERIALS SCIENCE, 2013, 48 (19) : 6542 - 6548
  • [27] The migration and formation energies of N-interstitials near [001] Fe surfaces: an ab initio study
    L. Autry
    R. Ramprasad
    Journal of Materials Science, 2013, 48 : 6542 - 6548
  • [28] ENTHALPIES OF FORMATION AND STABILIZATION ENERGIES OF ALPHA-SUBSTITUTED AND BETA-SUBSTITUTED PROPYL RADICALS - AN AB-INITIO STUDY
    ARNAUD, R
    GRAND, A
    SUBRA, R
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1993, 102 : 101 - 109
  • [29] Intrinsic defects in and electronic properties of θ-Al13Fe4: an ab initio DFT study
    Fang, C. M.
    Dinsdale, A.
    Que, Z. P.
    Fan, Z.
    JOURNAL OF PHYSICS-MATERIALS, 2019, 2 (01):
  • [30] Interface structure and magnetism of Fe3Si/GaAs(110) multilayers: An ab-initio study
    Herper, H. C.
    Entel, P.
    PHILOSOPHICAL MAGAZINE, 2008, 88 (18-20) : 2699 - 2707