Ab initio calculations of elastic properties of Pt-Sc alloys

被引：25
作者：
Razumovskiy, V. I. [1 ,2 ]
Isaev, E. I. [2 ,3 ,4 ]
Ruban, A. V. [1 ]
Korzhavyi, P. A. [1 ]
机构：
[1] Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden
[2] Moscow Steel & Alloys Inst, Dept Theoret Phys, Moscow 119049, Russia
[3] Uppsala Univ, Dept Phys, Condensed Matter Theory Grp, SE-75121 Uppsala, Sweden
[4] Linkoping Univ, Dept Phys Chem & Biol IFM, SE-58183 Linkoping, Sweden
来源：
INTERMETALLICS | 2008年 / 16卷 / 08期
关键词：
intermetallics; miscellaneous; elastic properties; ab initio calculations; aero-engine components; furnace furniture;
D O I：
10.1016/j.intermet.2008.04.016
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：
Elastic properties of substitutionally disordered Pt-rich Pt-Sc alloys and L1(2)-ordered Pt3Sc compound are derived from the first-principles calculations based on the exact muffin-tin orbitals (EMTO) method. We demonstrate that these alloys should exhibit a ductile behavior, which combined with relatively high melting temperature and strong cohesive properties make them a very promising candidate for high-temperature applications. (C) 2008 Elsevier Ltd. All rights reserved.
引用
收藏
页码：982 / 986
页数：5
相关论文
共 39 条
  • [1] Order-N Green's function technique for local environment effects in alloys
    Abrikosov, IA
    Niklasson, AMN
    Simak, SI
    Johansson, B
    Ruban, AV
    Skriver, HL
    [J]. PHYSICAL REVIEW LETTERS, 1996, 76 (22) : 4203 - 4206
  • [2] Locally self-consistent Green's function approach to the electronic structure problem
    Abrikosov, IA
    Simak, SI
    Johansson, B
    Ruban, AV
    Skriver, HL
    [J]. PHYSICAL REVIEW B, 1997, 56 (15) : 9319 - 9334
  • [3] ABINITIO CALCULATIONS OF THE ELECTRONIC TOPOLOGICAL TRANSITION IN LI-MG ALLOYS
    ABRIKOSOV, IA
    VEKILOV, YH
    KORZHAVYI, PA
    RUBAN, AV
    SHILKROT, LE
    [J]. SOLID STATE COMMUNICATIONS, 1992, 83 (11) : 867 - 870
  • [4] [Anonymous], 1960, ZH EKSP TEOR FIZ+
  • [5] THE THEORY OF ELECTRONIC TOPOLOGICAL TRANSITIONS
    BLANTER, YM
    KAGANOV, MI
    PANTSULAYA, AV
    VARLAMOV, AA
    [J]. PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 1994, 245 (04): : 159 - 257
  • [6] BRUNO E, 1994, VEKILOV YUKH PHYS RE, V249, P355
  • [7] Ab initio study of elastic properties of Ir and Ir3X compounds
    Chen, KY
    Zhao, LR
    Tse, JS
    [J]. JOURNAL OF APPLIED PHYSICS, 2003, 93 (05) : 2414 - 2417
  • [8] HIGH-TEMPERATURE ELASTIC-CONSTANTS OF PLATINUM SINGLE-CRYSTALS
    COLLARD, SM
    MCLELLAN, RB
    [J]. ACTA METALLURGICA ET MATERIALIA, 1992, 40 (04): : 699 - 702
  • [9] CORNISH LA, 2003, MAT RES B, V28, P9
  • [10] ON THE ELASTIC-MODULI OF NICKEL RICH NI-AL ALLOY SINGLE-CRYSTALS
    FISHER, ES
    [J]. SCRIPTA METALLURGICA, 1986, 20 (02): : 279 - 284
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