A new efficient method for molecular dynamics simulation of three-body potential systems

被引：0

作者：

Rycerz, ZA ^{[1
]}

机构：

[1] UNIV WESTERN ONTARIO,DEPT CHEM,LONDON,ON N6A 5B7,CANADA

来源：

MOLECULAR SIMULATION | 1995年 / 15卷 / 06期

关键词：

three-body potentials; molecular dynamics; large systems;

D O I：

10.1080/08927029508022349

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：

An efficient order of N molecular dynamics method for the simulation of two-body and three-body systems is presented. Due to its high speed it enables one to simulate large MD systems on a mainframe and investigate some complex processes in terms which are closer to experimental conditions (e.g. crystal growth or ion implantation on relatively large-by MD standards-substrates).

引用

页码：381 / 390

页数：10

共 23 条

[1] FINITE-TEMPERATURE PHASE-DIAGRAM OF VICINAL SI(100) SURFACES [J].

ALERHAND, OL ;

BERKER, AN ;

JOANNOPOULOS, JD ;

VANDERBILT, D ;

HAMERS, RJ ;

DEMUTH, JE .

PHYSICAL REVIEW LETTERS, 1990, 64 (20) :2406-2409

[2]

BARNET NC, 1991, PHYS REV LETT, V66, P961

[3] INTERATOMIC POTENTIALS FOR SILICON STRUCTURAL ENERGIES [J].

BISWAS, R ;

HAMANN, DR .

PHYSICAL REVIEW LETTERS, 1985, 55 (19) :2001-2004

[4] GENERATION OF AMORPHOUS-SILICON STRUCTURES WITH USE OF MOLECULAR-DYNAMICS SIMULATIONS [J].

BISWAS, R ;

GREST, GS ;

SOUKOULIS, CM .

PHYSICAL REVIEW B, 1987, 36 (14) :7437-7441

[5] THEORY OF HOMOEPITAXY ON SI(001) .1. KINETICS DURING GROWTH [J].

CLARKE, S ;

WILBY, MR ;

VVEDENSKY, DD .

SURFACE SCIENCE, 1991, 255 (1-2) :91-110

[6] LATTICE-DYNAMICS OF SILICON WITH EMPIRICAL MANY-BODY POTENTIALS [J].

COWLEY, ER .

PHYSICAL REVIEW LETTERS, 1988, 60 (23) :2379-2381

[7]

Dodson B. W., 1987, Journal of Materials Research, V2, P805, DOI 10.1557/JMR.1987.0805

[8]

Ewald PP, 1921, ANN PHYS-BERLIN, V64, P253

[9] VECTORIZED LINK CELL FORTRAN CODE FOR MOLECULAR-DYNAMICS SIMULATIONS FOR A LARGE NUMBER OF PARTICLES [J].

GREST, GS ;

DUNWEG, B ;

KREMER, K .

COMPUTER PHYSICS COMMUNICATIONS, 1989, 55 (03) :269-285

[10] PHASE-DIAGRAM OF VICINAL SI(001) SURFACES [J].

PEHLKE, E ;

TERSOFF, J .

PHYSICAL REVIEW LETTERS, 1991, 67 (10) :1290-1293

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