Harmonic modes of a disordered zig-zag chain

J. W. Halley, M. Thorpe, A. Walker
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Abstract

We describe the results of a simulation of a model of a random chain embedded as a self-avoiding walk on a diamond lattice. The dynamic model is the same as Kirkwood's. The equation of motion method we use permits such functions as S(k, ω), the dynamic structure factor, to be calculated as easily as the density of states. We present results on the density of states and S(k, ω) for chains of 1000 monomers. The results illustrate a mechanism of harmonic self-stabilization of a chain, which we also discuss in physical terms. We believe that simulations of this type can be useful to experimentalists in relating spectral features to morphology.

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无序之字形链的谐模
我们描述了一个随机链嵌入在钻石晶格上的自回避行走模型的仿真结果。动态模型与柯克伍德的模型相同。我们使用的运动方程方法允许像S(k, ω)这样的函数,即动力结构因子,像计算状态密度一样容易。我们给出了1000个单体链的态密度和S(k, ω)的结果。结果说明了链的谐波自稳定机理,并从物理角度对其进行了讨论。我们相信,这种类型的模拟可以帮助实验者将光谱特征与形态学联系起来。
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