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Dynamic Monte Carlo method
About: Dynamic Monte Carlo method is a research topic. Over the lifetime, 13294 publications have been published within this topic receiving 371256 citations.
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TL;DR: In this article, a new Monte Carlo method for calculating the surface tension of a liquid is described, based on a direct evaluation of the free energy required to create a surface, unlike earlier Monte Carlo calculations which evaluated the surface stress.
Abstract: A new Monte Carlo method for calculating the surface tension of a liquid is described. The method is based on a direct evaluation of the free energy required to create a surface, unlike earlier Monte Carlo calculations which evaluated the surface stress. It is applied to the 6:12 fluid in conditions close to the triple point for argon. The calculated surface tension agrees within statistical uncertainty with previous Monte Carlo estimates, but the statistical uncertainty of the present method is much lower. Agreement with experimental data for argon is not good, as should be expected; estimates of the effects of using a correct pair potential and particularly of including three‐body interactions indicate that they would lead to good agreement.
123 citations
TL;DR: In this article, a self-consistent quantum Schrodinger solver is proposed to account for the size quantization effects that occur at heterojunctions, such as the oxide interface in MOS devices.
Abstract: A full-band Monte Carlo model has been coupled to a Schrodinger equation solver to account for the size quantization effects that occur at heterojunctions, such as the oxide interface in MOS devices. The overall model retains the features of the well-developed semi-classical approach, by treating self-consistently the Schrodinger solution as a correction to the particle-based Monte Carlo. The simulator has been benchmarked by comparing results for MOS capacitors and double gate structures with a self-consistent quantum solution, showing that the proposed approach is efficient and accurate. This quantum correction methodology is extended to device simulation, by accounting for the interplay between confinement and transport through a parameter which we call "transverse" temperature. This approach appears to be valid even for nanometer-scale devices in which nonequilibrium ballistic transport is occurring. We present simulations of a 25-nm MOSFET and compare results obtained with and without the quantum correction.
123 citations
TL;DR: In this paper, an extended version of the 3D Monte Carlo edge plasma transport code EMC3 including more complex physics is presented, and the balance equations for mass, momentum and energies are formulated in a general conservation form suited for direct application of the Monte Carlo solving algorithm.
122 citations
TL;DR: In this article, a review of applications of Monte Carlo simulations to study the dynamical properties of coarse-grained models of polymer melts, emphasizing the crossover from the Rouse model toward reptation, and the glass transition.
Abstract: A brief review is given of applications of Monte Carlo simulations to study the dynamical properties of coarse-grained models of polymer melts, emphasizing the crossover from the Rouse model toward reptation, and the glass transition. The extent to which Monte Carlo algorithms can mimic the actual chain dynamics is critically examined, and the need for the use of coarse-grained rather than fully atomistic models for such simulations is explained. It is shown that various lattice and continuum models yield qualitatively similar results, and the behavior agrees with the findings of corresponding molecular dynamics simulations and experiments, where available. It is argued that these simulations significantly enhance our understanding of the theoretical concepts on the dynamics of dense macromolecular systems. © 1997 John Wiley & Sons, Inc.
122 citations
TL;DR: A pedagogical review of Monte Carlo methods for self-avoiding walks can be found in this article, with emphasis on the extraordinarily efficient algorithms developed over the past decade and a review of the most popular algorithms.
Abstract: This article is a pedagogical review of Monte Carlo methods for the self-avoiding walk, with emphasis on the extraordinarily efficient algorithms developed over the past decade.
122 citations