Parallel J-W Monte Carlo simulations of thermal phase changes in finite-size systems

被引：6
|
作者：
Radev, R [1 ]
Proykova, A [1 ]
机构：
[1] Univ Sofia, Fac Phys, BU-1126 Sofia, Bulgaria
来源：
COMPUTER PHYSICS COMMUNICATIONS | 2002年 / 147卷 / 1-2期
关键词：
Monte Carlo method; parallel computing; phase transitions; clusters;
D O I：
10.1016/S0010-4655(02)00255-2
中图分类号：
TP39 [计算机的应用];
学科分类号：
081203 ; 0835 ;
摘要：
The thermodynamic properties of (TeF6)(59) Clusters that undergo temperature-driven phase transitions have been calculated with a canonical J-walking Monte Carlo technique. A parallel code for simulations has been developed and optimized on SUN3500 and CRAY-T3E computers. The Lindemann criterion shows that the clusters transform from liquid to solid and then from one solid structure to another in the temperature region 60-130 K. (C) 2002 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：242 / 245
页数：4
相关论文
共 50 条
  • [41] DIRECT CALCULATION OF ABSOLUTE FREE-ENERGY FOR LATTICE SYSTEMS BY MONTE-CARLO SAMPLING OF FINITE-SIZE DEPENDENCE
    MON, KK
    PHYSICAL REVIEW LETTERS, 1985, 54 (25) : 2671 - 2673
  • [42] Monte Carlo simulations of phase transitions of systems in nanoscopic confinement
    Binder, Kurt
    Horbach, Juergen
    Milchev, Andrey
    Mueller, Marcus
    Vink, Richard
    COMPUTER PHYSICS COMMUNICATIONS, 2007, 177 (1-2) : 140 - 145
  • [43] FINITE-SIZE EFFECTS AND STATISTICAL APPROACH TO NUCLEAR FRAGMENTATION PROCESSES - MONTE-CARLO SIMULATION
    SA, BH
    GROSS, DHE
    NUCLEAR PHYSICS A, 1985, 437 (3-4) : 643 - 668
  • [44] Finite-size errors in continuum quantum Monte Carlo calculations (vol 78, 125106, 2008)
    Drummond, N. D.
    Needs, R. J.
    Sorouri, A.
    Foulkes, W. M. C.
    PHYSICAL REVIEW B, 2014, 90 (15)
  • [45] Size scalability of Monte Carlo simulations applied to oxidized polypyrrole systems
    Helmick, Greg
    Abere, Yoseph
    Blaisten-Barojas, Estela
    COMPUTATIONAL MATERIALS SCIENCE, 2025, 247
  • [46] MONTE-CARLO STUDIES OF FINITE-SIZE EFFECTS AT 1ST-ORDER TRANSITIONS
    CHALLA, MSS
    LANDAU, DP
    BINDER, K
    PHASE TRANSITIONS, 1990, 24-6 (01) : 343 - 369
  • [47] Logarithmic finite-size effects on interfacial free energies: Phenomenological theory and Monte Carlo studies
    Schmitz, Fabian
    Virnau, Peter
    Binder, Kurt
    PHYSICAL REVIEW E, 2014, 90 (01):
  • [48] Thermal transport in finite-size van der Waals materials: Modeling and Simulations
    Barbalinardo, Giuseppe
    Sievers, Charles A.
    Chen, Shunda
    Donadio, Davide
    2018 IEEE 18TH INTERNATIONAL CONFERENCE ON NANOTECHNOLOGY (IEEE-NANO), 2018,
  • [49] A scalable parallel Monte Carlo method for free energy simulations of molecular systems
    Khan, MO
    Kennedy, G
    Chan, DYC
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2005, 26 (01) : 72 - 77
  • [50] Finite-size errors in quantum many-body simulations of extended systems
    Kent, PRC
    Hood, RQ
    Williamson, AJ
    Needs, RJ
    Foulkes, WMC
    Rajagopal, G
    PHYSICAL REVIEW B, 1999, 59 (03): : 1917 - 1929
12345