NONPERIODIC SOLID-PHASE IN A 2-DIMENSIONAL HARD-DIMER SYSTEM

被引：102

作者：

WOJCIECHOWSKI, KW ^{[1
]}

FRENKEL, D ^{[1
]}

BRANKA, AC ^{[1
]}

机构：

[1] FDN FUNDAMENTAL RES MATTER,INST ATOM & MOLEC PHYS,1009 DB AMSTERDAM,NETHERLANDS

来源：

PHYSICAL REVIEW LETTERS | 1991年 / 66卷 / 24期

关键词：

D O I：

10.1103/PhysRevLett.66.3168

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We report Monte Carlo simulations of a system of two-dimensional, hard, homonuclear dimers. The equation of state and the Gibbs free energy were computed for the fluid phase and several crystalline and noncrystalline (aperiodic) solid structures. We observe that the differences in Gibbs free energy between the various solid structures are much less than the contribution to the entropy due to degeneracy of the "ground state" of the aperiodic solid. Hence, the thermodynamically stable solid structure of the system corresponds to an aperiodic arrangement of the molecular centers of mass and orientations. The melting point determined for this aperiodic solid is located within the observed narrow hysteresis region.

引用

页码：3168 / 3171

页数：4

共 23 条

[1] STATISTICAL MECHANICAL THEORIES OF FREEZING - AN OVERVIEW [J].

BAUS, M .

JOURNAL OF STATISTICAL PHYSICS, 1987, 48 (5-6) :1129-1146

[2]

BELLEMANS A, 1980, MOL PHYS, V39, P781, DOI 10.1080/00268978000100671

[3]

Blinc R., 1986, INCOMMENSURATE PHASE

[4] P-V-T BEHAVIOR OF HARD BODY-FLUIDS - THEORY AND EXPERIMENT [J].

BOUBLIK, T ;

NEZBEDA, I .

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1986, 51 (11) :2301-2432

[5] MECHANICAL SIMULATION OF TWO-DIMENSIONAL SYSTEMS OF HARD DIMERS AND HARD CYCLIC TRIMERS [J].

BRANKA, AC ;

WOJCIECHOWSKI, KW .

MOLECULAR PHYSICS, 1985, 56 (06) :1419-1429

[6] An attempt to extend the statistical theory of perfect solutions. [J].

Fowler, RH ;

Rushbrooke, GS .

TRANSACTIONS OF THE FARADAY SOCIETY, 1937, 33 (02) :1272-1293

[7] THE HARD ELLIPSOID-OF-REVOLUTION FLUID .1. MONTE-CARLO SIMULATIONS [J].

FRENKEL, D ;

MULDER, BM .

MOLECULAR PHYSICS, 1985, 55 (05) :1171-1192

[8] NEW MONTE-CARLO METHOD TO COMPUTE THE FREE-ENERGY OF ARBITRARY SOLIDS - APPLICATION TO THE FCC AND HCP PHASES OF HARD-SPHERES [J].

FRENKEL, D ;

LADD, AJC .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (07) :3188-3193

[9]

GUGGENHEIM EA, 1959, ENCY PHYSICS

[10] MONTE-CARLO SIMULATION OF TWO-DIMENSIONAL DIMERS BETWEEN HARD WALLS BULK EQUATION OF STATE AND SITE-DENSITY PROFILES [J].

HONNELL, KG ;

HALL, CK .

MOLECULAR PHYSICS, 1988, 65 (06) :1281-1300

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