EFFECT OF LATTICE-VIBRATIONS ON THE ORDERING TENDENCIES IN SUBSTITUTIONAL BINARY-ALLOYS

被引:85
作者
GARBULSKY, GD
CEDER, G
机构
[1] Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge
来源
PHYSICAL REVIEW B | 1994年 / 49卷 / 09期
关键词
D O I
10.1103/PhysRevB.49.6327
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The effect of lattice vibrations on the ordering tendencies and phase stability of substitutional binary alloys is analyzed. The alloy Hamiltonian is cast onto an Ising-like Hamiltonian through a cluster expansion of the vibrational free energy computed in the harmonic approximation. The temperature dependence of the vibrational effective cluster interactions (VECI's) is found for a general d-dimensional alloy. Analytic results for the VECI's for d = 1 are derived. It is argued that the vibrations can have pronounced effects on the phase diagram and on the short-range order at high temperatures.
引用
收藏
页码:6327 / 6330
页数:4
相关论文
共 23 条
[1]  
Abramowitz M., 1965, HDB MATH FUNCTIONS
[2]   VIBRATIONAL ENTROPY OF ORDERED AND DISORDERED NI3AL [J].
ANTHONY, L ;
OKAMOTO, JK ;
FULTZ, B .
PHYSICAL REVIEW LETTERS, 1993, 70 (08) :1128-1130
[3]   THEORETICAL-STUDY OF ALLOY PHASE-STABILITY IN THE CD-MG SYSTEM [J].
ASTA, M ;
MCCORMACK, R ;
DEFONTAINE, D .
PHYSICAL REVIEW B, 1993, 48 (02) :748-766
[4]   NUMERICAL-CALCULATIONS OF THE CHANGE OF THE VIBRATIONAL ENTROPY DUE TO DISORDERING OF A ONE-DIMENSIONAL AND TWO-DIMENSIONAL ORDERED BINARY ALLOY [J].
BAKKER, H .
PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1982, 45 (01) :213-219
[5]  
BINDER K, 1988, MONTE CARLO METHODS
[6]  
Ceder G., 1993, Computational Materials Science, V1, P144, DOI 10.1016/0927-0256(93)90005-8
[7]   DENSITY-FUNCTIONAL THEORY APPLIED TO PHASE-TRANSFORMATIONS IN TRANSITION-METAL ALLOYS [J].
CONNOLLY, JWD ;
WILLIAMS, AR .
PHYSICAL REVIEW B, 1983, 27 (08) :5169-5172
[8]   DETERMINATION OF EFFECTIVE-PAIR INTERACTIONS IN RANDOM ALLOYS BY CONFIGURATIONAL AVERAGING [J].
DREYSSE, H ;
BERERA, A ;
WILLE, LT ;
DEFONTAINE, D .
PHYSICAL REVIEW B, 1989, 39 (04) :2442-2452
[9]  
Ducastelle F., 1991, ORDER PHASE STABILIT
[10]   A THEORY OF COOPERATIVE PHENOMENA [J].
KIKUCHI, R .
PHYSICAL REVIEW, 1951, 81 (06) :988-1003