LONG-RANGE FINNIS-SINCLAIR POTENTIALS FOR FCC METALLIC ALLOYS

被引：257
作者：
RAFIITABAR, H
SUTTON, AP
机构：
[1] Department of Materials, Oxford University, Oxford
来源：
PHILOSOPHICAL MAGAZINE LETTERS | 1991年 / 63卷 / 04期
关键词：
D O I：
10.1080/09500839108205994
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Many-body, long-range potentials of a Finnis-Sinclair type are formulated for the atomistic description of binary f.c.c. metallic alloys. These potentials are generalizations of the scheme constructed by Sutton and Chen (1990), for the atomistic modelling of f.c.c. elemental metals. The parameters for the alloy potentials are obtained directly from the parameters for the elemental metals, without any further adjustable fitting. Lattice parameters, elastic constants and enthalpy of formation of 45 binary, random f.c.c. alloys are calculated.
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页码：217 / 224
页数：8
相关论文
共 19 条
[1]   MANY-BODY POTENTIALS AND ATOMIC-SCALE RELAXATIONS IN NOBLE-METAL ALLOYS [J].
ACKLAND, GJ ;
VITEK, V .
PHYSICAL REVIEW B, 1990, 41 (15) :10324-10333
[2]   SIMPLE N-BODY POTENTIALS FOR THE NOBLE-METALS AND NICKEL [J].
ACKLAND, GJ ;
TICHY, G ;
VITEK, V ;
FINNIS, MW .
PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1987, 56 (06) :735-756
[3]   MIXTURE RULES FOR MIE (N, 6) INTERMOLECULAR PAIR POTENTIAL AND DYMOND-ALDER PAIR POTENTIAL [J].
CALVIN, DW ;
REED, TM .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (09) :3733-&
[4]  
CALVIN DW, 1971, J CHEM PHYS, V56, P6262
[5]   AU (100) SURFACE RECONSTRUCTION [J].
ERCOLESSI, F ;
TOSATTI, E ;
PARRINELLO, M .
PHYSICAL REVIEW LETTERS, 1986, 57 (06) :719-722
[6]   A SIMPLE EMPIRICAL N-BODY POTENTIAL FOR TRANSITION-METALS [J].
FINNIS, MW ;
SINCLAIR, JE .
PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1984, 50 (01) :45-55
[7]  
FOILES SM, 1986, PHYS REV B, V33, P7983, DOI 10.1103/PhysRevB.33.7983
[8]  
HEINE V, 1980, SOLID STATE PHYS, V35, P1
[9]  
Huang K., 1968, DYNAMICAL THEORY CRY
[10]  
HULTGREN R, 1963, SELECTED VALUES THER
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