用于对具有短程相互作用的超流星体进行蒙特卡罗模拟的表势垒。

IF 1.3 4区 工程技术 Q3 INSTRUMENTS & INSTRUMENTATION
Harold W Hatch, Gordon W McCann
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引用次数: 0

摘要

我们描述了一种构建具有短程相互作用的超流体的表势的方法,这需要计算这些形状在许多相对位置和方向上的重叠体积。各向异性胶体合成方面的最新进展使得此类粒子的实验实现变得可行,并增加了这些形状系列的基础模拟研究的实际影响。我们最近在超四边形势方面的工作现在扩展到了中间有孔的环状形状系列。在增加超正四面体的同时,我们还增加了为非相同粒子和具有多个互不相连的重叠体积的粒子对制作表格的能力。通过对之前发布的算法进行新开发的扩展,我们为所有这些新情况制作了表格势垒。这项工作中的算法开发将使蒙特卡罗模拟能够预测各种条件下的热力学性质,模拟的形状也将更加多样。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Tabular Potentials for Monte Carlo Simulation of Supertoroids with Short-Range Interactions.

We describe a methodology for constructing tabular potentials of supertoroids with short-range interactions, which requires the calculation of the volume of overlap of these shapes for many relative positions and orientations. Recent advances in the synthesis of anisotropic colloids have made experimental realizations of such particles feasible and have increased the practical impact of fundamental simulation studies of these families of shapes. This extends our recent work on superquadric potentials to now include a family of ring-like shapes with a hole in the middle. Along with the addition of supertoroids, the ability to make tables for nonidentical particles and particle pairs with multiple, disconnected overlap volumes was added. Using newly developed extensions to a previously published algorithm, we produced tabular potentials for all of these new cases. The algorithmic developments in this work will enable Monte Carlo simulations of a wider variety of shapes to predict thermodynamic properties over a range of conditions.

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来源期刊
自引率
33.30%
发文量
10
审稿时长
>12 weeks
期刊介绍: The Journal of Research of the National Institute of Standards and Technology is the flagship publication of the National Institute of Standards and Technology. It has been published under various titles and forms since 1904, with its roots as Scientific Papers issued as the Bulletin of the Bureau of Standards. In 1928, the Scientific Papers were combined with Technologic Papers, which reported results of investigations of material and methods of testing. This new publication was titled the Bureau of Standards Journal of Research. The Journal of Research of NIST reports NIST research and development in metrology and related fields of physical science, engineering, applied mathematics, statistics, biotechnology, information technology.
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