Multicanonical methods, molecular dynamics, and Monte Carlo methods: Comparison for Lennard-Jones glasses
نویسندگان
چکیده
منابع مشابه
Multicanonical methods, molecular dynamics, and Monte Carlo methods: Comparison for Lennard-Jones glasses
We applied a multicanonical algorithm to a two-dimensional and a three-dimensional Lennard-Jones system with quasicrystalline and glassy ground states. Focusing on the ability of the algorithm to locate low-lying energy states, we compared the results of the multicanonical simulations with standard Monte Carlo simulated annealing and molecular-dynamics methods. We find slight benefits to using ...
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The liquid-solid phase transition was investigated by the multicanonical Monte Carlo method for a bulk Lennard-Jones fluid system that consists of 256 argon particles. The reliability of the multicanonical weight factor we determined was confirmed by the flatness of the histogram obtained by the multicanonical Monte Carlo production run. The first-order phase transition between solid and liquid...
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The growth factor of a matrix quantifies the amount of potential error growth possible when a linear system is solved using Gaussian elimination with row pivoting. While it is an easy matter [N. J. Higham and D. J. Higham, SIAM J. Matrix Anal. Appl., 10 (1989), pp. 155–164] to construct examples of n × n matrices having any growth factor up to the maximum of 2n−1, the weight of experience and a...
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A kinetic Monte Carlo (KMC) method is used to study the structural properties and dynamics of a supercooled binary Lennard-Jones liquid around the glass transition temperature. This technique permits us to explore the potential energy surface and barrier distributions without suffering the exponential slowing down at low temperature that affects molecular dynamics simulations. In agreement with...
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ژورنال
عنوان ژورنال: Physical Review E
سال: 1998
ISSN: 1063-651X,1095-3787
DOI: 10.1103/physreve.57.2553