为耗散粒子动力学模拟提供更好的积分器

Besold, Vattulainen, Karttunen, Polson
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引用次数: 110

摘要

保留流体力学的粗粒度模型为研究软物质系统的集体特性提供了一种自然的方法。在这里,我们证明了耗散粒子动力学中常用的积分方案会在压缩性和扩散系数等物理量中产生明显的伪影。我们评估了这些整合方案的质量,包括基于最近提出的自一致方法的变体,并检查了它们的相对性能。讨论了积分器诱导效应的含义。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Towards better integrators for dissipative particle dynamics simulations

Coarse-grained models that preserve hydrodynamics provide a natural approach to study collective properties of soft-matter systems. Here, we demonstrate that commonly used integration schemes in dissipative particle dynamics give rise to pronounced artifacts in physical quantities such as the compressibility and the diffusion coefficient. We assess the quality of these integration schemes, including variants based on a recently suggested self-consistent approach, and examine their relative performance. Implications of integrator-induced effects are discussed.

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