DENSITY FUNCTIONAL THEORY FOR THE FREEZING OF LENNARD-JONES BINARY-MIXTURES

被引：65

作者：

RICK, SW

HAYMET, ADJ

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1989年 / 90卷 / 02期

关键词：

D O I：

10.1063/1.456175

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：

引用

页码：1188 / 1199

页数：12

共 54 条

[1] DENSITY-FUNCTIONAL THEORY OF FREEZING OF HARD-SPHERE MIXTURES INTO SUBSTITUTIONAL SOLID-SOLUTIONS [J].

BARRAT, JL ;

BAUS, M ;

HANSEN, JP .

PHYSICAL REVIEW LETTERS, 1986, 56 (10) :1063-1065

[2] A DENSITY FUNCTIONAL CALCULATION OF THE LIQUID SOLID-PHASE DIAGRAM OF A CHARGED-HARD-SPHERES MODEL OF A SALT [J].

BARRAT, JL .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1987, 20 (08) :1031-1040

[3] FREEZING OF BINARY HARD-SPHERE MIXTURES INTO DISORDERED CRYSTALS - A DENSITY FUNCTIONAL-APPROACH [J].

BARRAT, JL ;

BAUS, M ;

HANSEN, JP .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1987, 20 (10) :1413-1430

[4] THE FREEZING OF HARD-SPHERES - THE DENSITY FUNCTIONAL THEORY REVISITED [J].

BAUS, M ;

COLOT, JL .

MOLECULAR PHYSICS, 1985, 55 (03) :653-677

[5] DENSITY FUNCTIONAL THEORY OF NONUNIFORM POLYATOMIC SYSTEMS .1. GENERAL FORMULATION [J].

CHANDLER, D ;

MCCOY, JD ;

SINGER, SJ .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (10) :5971-5976

[6] LENNARD-JONES 12=6 PARAMETERS FOR 10 SMALL MOLECULES [J].

CLIFFORD, AA ;

GRAY, P ;

PLATTS, N .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS I, 1977, 73 :381-382

[7] MELTING IN ARGON AT HIGH TEMPERATURES [J].

CRAWFORD, RK ;

DANIELS, WB .

PHYSICAL REVIEW LETTERS, 1968, 21 (06) :367-&

[8] DENSITY-FUNCTIONAL THEORY AND FREEZING OF SIMPLE LIQUIDS [J].

CURTIN, WA ;

ASHCROFT, NW .

PHYSICAL REVIEW LETTERS, 1986, 56 (26) :2775-2778

[9] WEIGHTED-DENSITY-FUNCTIONAL THEORY OF INHOMOGENEOUS LIQUIDS AND THE FREEZING TRANSITION [J].

CURTIN, WA ;

ASHCROFT, NW .

PHYSICAL REVIEW A, 1985, 32 (05) :2909-2919

[10]

CURTIN WA, 1986, PHYS REV LETT, V57, P1192, DOI 10.1103/PhysRevLett.57.1192.6

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