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Multiscaling for systems with a broad continuum of characteristic lengths and times: Structural transitions in nanocomposites

机译:具有广泛特征长度和时间连续性的系统的多尺度:纳米复合材料的结构转变

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摘要

The multiscale approach to N-body systems is generalized to address the broad continuum of long time and length scales associated with collective behaviors. A technique is developed based on the concept of an uncountable set of time variables and of order parameters (OPs) specifying major features of the system. We adopt this perspective as a natural extension of the commonly used discrete set of time scales and OPs which is practical when only a few, widely separated scales exist. The existence of a gap in the spectrum of time scales for such a system (under quasiequilibrium conditions) is used to introduce a continuous scaling and perform a multiscale analysis of the Liouville equation. A functional-differential Smoluchowski equation is derived for the stochastic dynamics of the continuum of Fourier component OPs. A continuum of spatially nonlocal Langevin equations for the OPs is also derived. The theory is demonstrated via the analysis of structural transitions in a composite material, as occurs for viral capsids and molecular circuits.
机译:N体系统的多尺度方法被通用化,以解决与集体行为相关的长时间尺度和长度尺度的广泛连续性。基于不可数的时间变量和指定系统主要功能的顺序参数(OP)的概念开发了一种技术。我们采用这种观点作为对常用的离散时间标度和OP集的自然扩展,这在只有几个广泛分离的标度存在时才是可行的。对于这种系统(在准平衡条件下),在时标频谱中存在一定的间隙,可用于引入连续标度并执行Liouville方程的多标度分析。对于傅立叶分量OP的连续体的随机动力学,导出了一个功能微分的Smoluchowski方程。还推导了用于OP的空间非局部Langevin方程的连续体。通过分析复合材料中的结构转变(如病毒衣壳和分子回路)可以证明该理论。

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