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Multiscaling for Systems with a Broad Continuum of Characteristic Lengths and Times: Structural Transitions in Nanocomposites

机译:具有广泛连续特征的系统的多尺度处理   长度和时间: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 broadcontinuum of long time and length scales associated with collective behaviors.A technique is developed based on the concept of an uncountable set of timevariables and of order parameters (OPs) specifying major features of thesystem. We adopt this perspective as a natural extension of the commonly useddiscrete set of timescales and OPs which is practical when only a few,widely-separated scales exist. The existence of a gap in the spectrum oftimescales for such a system (under quasiequilibrium conditions) is used tointroduce a continuous scaling and perform a multiscale analysis of theLiouville equation. A functional-differential Smoluchowski equation is derivedfor the stochastic dynamics of the continuum of Fourier component orderparameters. A continuum of spatially non-local Langevin equations for the OPsis also derived. The theory is demonstrated via the analysis of structuraltransitions in a composite material, as occurs for viral capsids and molecularcircuits.
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连续尺度的广泛连续性。基于不可数的时间变量和指定参数主要特征的阶数参数(OP)的概念开发了一种技术。系统。我们采用这种观点作为对常用的离散时间标度和操作集的自然扩展,这在只有少数几个高度分开的标度存在时才是可行的。对于此类系统(在准平衡条件下),在时标频谱中存在一定的差距,可用于引入连续标度并执行Liouville方程的多标度分析。对于傅立叶分量阶参数连续体的随机动力学,推导了一个泛函-Smoluchowski方程。还导出了OPsis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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