MOLECULAR-DYNAMICS STUDY OF THE STRUCTURE, BINDING-ENERGY, AND MELTING OF SMALL CLUSTERS OF FULLERENE MOLECULES USING GIRIFALCO SPHERICAL MODEL

被引：61

作者：

REY, C

GALLEGO, LJ

ALONSO, JA

机构：

[1] UNIV SANTIAGO DE COMPOSTELA,FAC FIS,DEPT FIS MAT CONDENSADA,SANTIAGO,SPAIN

[2] UNIV VALLADOLID,FAC CIENCIAS,DEPT FIS TEOR,VALLADOLID,SPAIN

来源：

PHYSICAL REVIEW B | 1994年 / 49卷 / 12期

关键词：

D O I：

10.1103/PhysRevB.49.8491

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Girifalco's intermolecular potential between two C60 molecules has been used, in conjunction with molecular dynamics, to study the stability of small (C60)N ClUsters up to N = 25. In agreement with experiment, 13-membered clusters were found to be particularly stable. The melting behavior in these clusters differs from that characteristic of inert gas clusters.

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页码：8491 / 8494

页数：4

相关论文

共 22 条

[1] RARE-GAS CLUSTERS - SOLIDS, LIQUIDS, SLUSH, AND MAGIC NUMBERS [J].

BECK, TL ;

JELLINEK, J ;

BERRY, RS .

JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (01) :545-554

[2] PREDICTION OF THE PHASE-DIAGRAM OF RIGID C-60 MOLECULES [J].

CHENG, A ;

KLEIN, ML ;

CACCAMO, C .

PHYSICAL REVIEW LETTERS, 1993, 71 (08) :1200-1203

[3] MELTING AND FREEZING IN ISOTHERMAL AR13 CLUSTERS [J].

DAVIS, HL ;

JELLINEK, J ;

BERRY, RS .

JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (11) :6456-6464

[4] MAGIC NUMBERS FOR SPHERE PACKINGS - EXPERIMENTAL-VERIFICATION IN FREE XENON CLUSTERS [J].

ECHT, O ;

SATTLER, K ;

RECKNAGEL, E .

PHYSICAL REVIEW LETTERS, 1981, 47 (16) :1121-1124

[5] COMPRESSIBILITY OF SOLID C60 [J].

FISCHER, JE ;

HEINEY, PA ;

MCGHIE, AR ;

ROMANOW, WJ ;

DENENSTEIN, AM ;

MCCAULEY, JP ;

SMITH, AB .

SCIENCE, 1991, 252 (5010) :1288-1290

[6] PHENOMENOLOGICAL MODEL OF MELTING IN LENNARD-JONES CLUSTERS [J].

GARZON, IL ;

BORJA, MA ;

BLAISTENBAROJAS, E .

PHYSICAL REVIEW B, 1989, 40 (07) :4749-4759

[7] ENERGY OF COHESION, COMPRESSIBILITY, AND THE POTENTIAL ENERGY FUNCTIONS OF THE GRAPHITE SYSTEM [J].

GIRIFALCO, LA ;

LAD, RA .

JOURNAL OF CHEMICAL PHYSICS, 1956, 25 (04) :693-697

[8] INTERACTION POTENTIAL FOR C60 MOLECULES [J].

GIRIFALCO, LA .

JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (14) :5370-5371

[9] MOLECULAR-PROPERTIES OF C-60 IN THE GAS AND SOLID-PHASES [J].

GIRIFALCO, LA .

JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (02) :858-861

[10]

HAGEN MHJ, UNPUB