COMPUTER EXPERIMENTS FOR SURFACE-DIFFUSION - THE REAL-TIME IN MONTE-CARLO SIMULATION

被引：20

作者：

CAO, PL ^{[1
]}

机构：

[1] ZHEJIANG UNIV,DEPT PHYS,HANGZHOU 310027,PEOPLES R CHINA

来源：

PHYSICAL REVIEW LETTERS | 1994年 / 73卷 / 19期

关键词：

D O I：

10.1103/PhysRevLett.73.2595

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A new algorithm for real time in Monte Carlo simulations is proposed, and a computer experiment is designed to test its validity. The computational difficulties due to inherent ''noise'' in the data from chemical diffusion coefficient calculations are overcome. Thus smooth curves of the concentration against x and the chemical diffusion coefficient against concentration are obtained with reasonable computational effort. One of the calculated results reveals that the ordered region is related to the minimal chemical diffusion coefficient there.

引用

页码：2595 / 2598

页数：4

共 20 条

[1] COVERAGE DEPENDENCE OF N-BUTANE SURFACE-DIFFUSION ON A STEPPED RU(001) SURFACE [J].

ARENA, MV ;

WESTRE, ED ;

GEORGE, SM .

SURFACE SCIENCE, 1992, 261 (1-3) :129-140

[2]

BINNIG G, 1986, SURF SCI, V169, pL295, DOI 10.1016/0039-6028(86)90596-0

[3] TIME-DEPENDENT MONTE-CARLO STUDIES OF SURFACE-DIFFUSION [J].

BOWLER, AM ;

HOOD, ES .

JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (07) :5162-5171

[4] PROPERTIES OF THE SURFACE-DIFFUSION OF SULFUR ON NICKEL AND THE EFFECTS OF SURFACE-DEFECTS [J].

CAO, PL ;

ZHANG, ZG .

PHYSICAL REVIEW B, 1989, 39 (14) :9963-9966

[5] THEORETICAL-STUDIES OF SURFACE-DIFFUSION - SELF-DIFFUSION IN THE FCC (111) SYSTEM [J].

DOLL, JD ;

MCDOWELL, HK .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (01) :479-483

[6] DIFFUSION IN SURFACE-LAYERS [J].

EHRLICH, G .

CRC CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES, 1982, 10 (04) :391-409

[7] DIFFUSION OF ADSORBATES ON METAL-SURFACES [J].

GOMER, R .

REPORTS ON PROGRESS IN PHYSICS, 1990, 53 (07) :917-1002

[8]

Hill T. L., 1956, STAT MECH, P302

[9] DYNAMIC MONTE-CARLO WITH A PROPER ENERGY BARRIER - SURFACE-DIFFUSION AND TWO-DIMENSIONAL DOMAIN ORDERING [J].

KANG, HC ;

WEINBERG, WH .

JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (05) :2824-2830

[10]

KEHR KW, 1983, TOPICS CURRENT PHYSI, V36

← 1 2 →