Diffusion of noninteracting and interacting lattice gases on heterogeneous surfaces: The bivariate random barrier model

被引:7
作者
Uebing, C
Pereyra, V
Zgrablich, G
机构
[1] UNIV NACL SAN LUIS,CTR LATINOAMER ESTUDIOS ILYA PRIGOGINE,RA-5700 SAN LUIS,ARGENTINA
[2] UNIV NACL SAN LUIS,DEPT FIS,RA-5700 SAN LUIS,ARGENTINA
关键词
D O I
10.1063/1.474001
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
The Monte Carlo technique is used to model surface diffusion on energetically heterogeneous surfaces. Simulations are performed for the bivariate barrier model with a concentration c(H) of high barriers distributed at random. The variation of the chemical and tracer diffusion coefficients with particles coverage and with c(H) is discussed both for interacting and noninteracting particles. Two different regimes are found for c(H) below and above the critical concentration for bond percolation. Above percolation the diffusion coefficients are found to vary as c(H)(-1/T), a result which is not predicted by effective medium approximation (EMA). (C) 1997 American Institute of Physics.
引用
收藏
页码:9320 / 9326
页数:7
相关论文
共 27 条
  • [1] [Anonymous], 1992, ADSORPTION GASES HET, DOI DOI 10.1016/B978-0-12-601690-1.50015-1
  • [2] DIFFUSION OF ADSORBATES ON METAL-SURFACES
    GOMER, R
    [J]. REPORTS ON PROGRESS IN PHYSICS, 1990, 53 (07) : 917 - 1002
  • [3] TRANSPORT IN A DISORDERED MEDIUM - ANALYSIS AND MONTE-CARLO SIMULATION
    HAUS, JW
    KEHR, KW
    KITAHARA, K
    [J]. ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER, 1983, 50 (02): : 161 - 169
  • [4] KEHR KW, 1987, APPL MONTE CARLO MET
  • [5] DUAL SITE-BOND DESCRIPTION OF HETEROGENEOUS SURFACES
    MAYAGOITIA, V
    ROJAS, F
    RICCARDO, JL
    PEREYRA, VD
    ZGRABLICH, G
    [J]. PHYSICAL REVIEW B, 1990, 41 (10): : 7150 - 7155
  • [6] A MONTE-CARLO STUDY OF DIFFUSION IN A MODEL OF AN ORDERED ADSORBATE
    MURCH, GE
    [J]. PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1981, 43 (04): : 871 - 882
  • [7] SURFACE-DIFFUSION AND CONTINUOUS-PHASE TRANSITIONS IN ADSORBED OVERLAYERS
    MYSHLYAVTSEV, AV
    STEPANOV, AA
    UEBING, C
    ZHDANOV, VP
    [J]. PHYSICAL REVIEW B, 1995, 52 (08) : 5977 - 5984
  • [8] NAKAZATO N, 1980, PROG THEOR PHYS, V64, P2261
  • [9] Crystal statistics I A two-dimensional model with an order-disorder transition
    Onsager, L
    [J]. PHYSICAL REVIEW, 1944, 65 (3/4): : 117 - 149
  • [10] GENERAL EQUATIONS FOR DESCRIBING DIFFUSION ON THE HETEROGENEOUS SURFACE AT FINITE COVERAGES
    PEREYRA, V
    ZGRABLICH, G
    ZHDANOV, VP
    [J]. LANGMUIR, 1990, 6 (03) : 691 - 694