ALTERNATE MONTE-CARLO ALGORITHM APPLIED TO A LENNARD-JONES SOLID

被引：5
|
作者：
DAY, MA [1 ]
HARDY, RJ [1 ]
机构：
[1] UNIV NEBRASKA,DEPT PHYS & ASTRON,LINCOLN,NE 68588
来源：
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 1985年 / 46卷 / 04期
关键词：
COMPUTER PROGRAMMING - Algorithms - MATHEMATICAL STATISTICS - Monte Carlo Methods;
D O I：
10.1016/0022-3697(85)90117-9
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Monte Carlo calculations of the thermodynamic properties of a classical nearest neighbor Lennard-Jones solid have been carried out using an alternate to the usual Metropolis algorithm. The new algorithm is particularly convenient for the study of solids. Unbiased estimators are used to obtain values for the properties and their standard deviations. The authors results are combined with recent results of E. R. Cowley to give a set of best estimates.
引用
收藏
页码：487 / 492
页数：6
相关论文
共 50 条
  • [11] MONTE-CARLO STUDIES OF FLUID-SOLID PHASE-TRANSITION IN LENNARD-JONES SYSTEM
    STREETT, WB
    RAVECHE, HJ
    MOUNTAIN, RD
    JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (05): : 1960 - 1969
  • [12] Microcanonical Monte Carlo of Lennard-Jones microclusters
    Lustig, Rolf
    JOURNAL OF CHEMICAL PHYSICS, 2024, 161 (11):
  • [13] STRUCTURE OF A FREE-SURFACE OF A LENNARD-JONES LIQUID - MONTE-CARLO CALCULATION
    ABRAHAM, FF
    SCHREIBER, DE
    BARKER, JA
    JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (05): : 1958 - 1960
  • [14] MONTE-CARLO STUDIES OF FLUID-SOLID PHASE-TRANSITION IN LENNARD-JONES SYSTEM - REPLY
    RAVECHE, HJ
    MOUNTAIN, RD
    STREETT, WB
    JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (11): : 4582 - 4583
  • [15] MONTE-CARLO SIMULATION OF THE CRYSTAL-MELT INTERFACE OF A LENNARD-JONES SUBSTANCE
    BONISSENT, A
    GAUTHIER, E
    FINNEY, JL
    PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 1979, 39 (01): : 49 - 59
  • [16] A DENSITY OF STATES TRANSFORMATION MONTE-CARLO METHOD - THERMODYNAMICS OF THE LENNARD-JONES FLUID
    SHAW, MS
    JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (04): : 2312 - 2323
  • [17] MONTE-CARLO STUDIES OF FLUID-SOLID PHASE-TRANSITION IN LENNARD-JONES SYSTEM - COMMENT
    HANSEN, JP
    POLLOCK, EL
    JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (11): : 4581 - 4582
  • [18] PATH-INTEGRAL MONTE-CARLO STUDY OF CRYSTALLINE LENNARD-JONES SYSTEMS
    MUSER, MH
    NIELABA, P
    BINDER, K
    PHYSICAL REVIEW B, 1995, 51 (05): : 2723 - 2731
  • [19] A MONTE-CARLO STUDY OF THE STRUCTURE AND THERMODYNAMIC BEHAVIOR OF SMALL LENNARD-JONES CLUSTERS
    NAUCHITEL, VV
    PERTSIN, AJ
    MOLECULAR PHYSICS, 1980, 40 (06) : 1341 - 1355
  • [20] QUANTUM MONTE-CARLO CALCULATION OF THE THERMODYNAMIC FUNCTIONS OF A LENNARD-JONES CHAIN OF ATOMS
    MCGURN, AR
    RYAN, P
    MARADUDIN, AA
    WALLIS, RF
    PHYSICAL REVIEW B, 1989, 40 (04): : 2407 - 2413
12345