HEATS OF FORMATION OF BCC BINARY-ALLOYS

被引:25
作者
BOZZOLO, G [1 ]
FERRANTE, J [1 ]
机构
[1] NASA,LEWIS RES CTR,CLEVELAND,OH 44135
来源
PHYSICAL REVIEW B | 1992年 / 45卷 / 21期
关键词
D O I
10.1103/PhysRevB.45.12191
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We apply the method of Bozzolo, Ferrante, and Smith for the calculation of alloy energies for bcc elements. The heat of formation of several alloys is computed with the help of the Connolly-Williams method within the tetrahedron approximation. The dependence of the results on the choice of different sets of ordered structures is discussed.
引用
收藏
页码:12191 / 12197
页数:7
相关论文
共 10 条
  • [1] METHOD FOR CALCULATING ALLOY ENERGETICS
    BOZZOLO, G
    FERRANTE, J
    SMITH, JR
    [J]. PHYSICAL REVIEW B, 1992, 45 (01): : 493 - 496
  • [2] DENSITY-FUNCTIONAL THEORY APPLIED TO PHASE-TRANSFORMATIONS IN TRANSITION-METAL ALLOYS
    CONNOLLY, JWD
    WILLIAMS, AR
    [J]. PHYSICAL REVIEW B, 1983, 27 (08): : 5169 - 5172
  • [3] HULTGREN R, 1963, SELECTED VALUES THER
  • [4] OVERVIEW NO-43 - BINARY ORDERING PROTOTYPE PHASE-DIAGRAMS IN THE CLUSTER VARIATION APPROXIMATION
    MOHRI, T
    SANCHEZ, JM
    DEFONTAINE, D
    [J]. ACTA METALLURGICA, 1985, 33 (07): : 1171 - 1185
  • [5] Pearson W.B., 1967, HDB LATTICE SPACINGS
  • [6] ELECTRONIC THEORY OF PHASE-STABILITY IN SUBSTITUTIONAL ALLOYS - THE GENERALIZED PERTURBATION METHOD VERSUS THE CONNOLLY-WILLIAMS METHOD
    SLUITER, M
    TURCHI, PEA
    [J]. PHYSICAL REVIEW B, 1989, 40 (16): : 11215 - 11228
  • [7] EQUIVALENT-CRYSTAL THEORY OF METAL AND SEMICONDUCTOR SURFACES AND DEFECTS
    SMITH, JR
    PERRY, T
    BANERJEA, A
    FERRANTE, J
    BOZZOLO, G
    [J]. PHYSICAL REVIEW B, 1991, 44 (12) : 6444 - 6465
  • [8] EQUIVALENT-CRYSTAL THEORY OF OSCILLATORY SURFACE RELAXATION
    SMITH, JR
    BANERJEA, A
    [J]. PHYSICAL REVIEW B, 1988, 37 (17): : 10411 - 10414
  • [9] ELECTRONIC THEORY FOR PHASE-STABILITY OF 9 AB BINARY-ALLOYS, WITH A=NI, PD, OR PT AND B=CU, AG, OR AU
    TAKIZAWA, S
    TERAKURA, K
    MOHRI, T
    [J]. PHYSICAL REVIEW B, 1989, 39 (09): : 5792 - 5797
  • [10] 1ST-PRINCIPLES CALCULATIONS OF THE PHASE-DIAGRAMS OF NOBLE-METALS - CU-AU, CU-AG, AND AG-AU
    WEI, SH
    MBAYE, AA
    FERREIRA, LG
    ZUNGER, A
    [J]. PHYSICAL REVIEW B, 1987, 36 (08): : 4163 - 4185