Efficiency of rejection-free methods for dynamic Monte Carlo studies of off-lattice interacting particles

Guerra, Marta L.; Novotny, M. A.; Watanabe, Hiroshi; Ito, Nobuyasu

Type

Article

Authors

Guerra, Marta L.
Novotny, M. A.
Watanabe, Hiroshi
Ito, Nobuyasu

KAUST Grant Number

KUK-I1-005-04

Date

2009-02-23

Permanent link to this record

http://hdl.handle.net/10754/598095

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Abstract

We calculate the efficiency of a rejection-free dynamic Monte Carlo method for d -dimensional off-lattice homogeneous particles interacting through a repulsive power-law potential r-p. Theoretically we find the algorithmic efficiency in the limit of low temperatures and/or high densities is asymptotically proportional to ρ (p+2) /2 T-d/2 with the particle density ρ and the temperature T. Dynamic Monte Carlo simulations are performed in one-, two-, and three-dimensional systems with different powers p, and the results agree with the theoretical predictions. © 2009 The American Physical Society.

Citation

Guerra ML, Novotny MA, Watanabe H, Ito N (2009) Efficiency of rejection-free methods for dynamic Monte Carlo studies of off-lattice interacting particles. Phys Rev E 79. Available: http://dx.doi.org/10.1103/PhysRevE.79.026706.

Sponsors

The authors thank P. A. Rikvold for helpful discussions. The computation was partially carried out in the ISSP of the University of Tokyo and in the HPC2 Center for Computational Sciences at Mississippi State University. This work was partially supported by the COE program on "Frontiers of computational science" of Nagoya University, U.S. NSF Grant Nos. DMR-0426488 and DMR-0444051, the Sustainable Energy Research Center at Mississippi State University which is supported by the Department of Energy under Grant No. DE-FG3606GO86025, by Grants-in-Aid for Scientific Research (Contract Nos. 19740235 and 19540400 ), and by KAUST GRP(KUK-I1-005-04).