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物理学报  2011 

Monte Carlo simulations of the relaxation dynamics of the spatial relaxation modes in the molecule-string model
分子串模型中空间弛豫模式的弛豫动力学的蒙特卡罗模拟

Keywords: glass transition,relaxation dynamics,Monte Carlo simulation,molecule string
玻璃化转变
,弛豫动力学,蒙特卡罗模拟,分子串

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Abstract:

According to the molecule-string model for glass transition, a more exact Monte Carlo protocol to simulate all the spatial relaxation modes (SRMs) of the string are proposed. The variations of the simulated relaxation times of the SRMs with temperature and string length are consistent with the predictions of the string relaxation equation of the model, i.e. the theretical predictions and the simulation results verify each other. It should be pointed out that the necessary condition of molecule string used as a collective unit in liquid is that the qualitative characteristics of the SRMs cannot be changed when the inter-string interactions are taken into account. This needs to study the coupling between the SRMs, but till now, the corresponding exact solutions have not been achieved, and only the self-consistent relaxation mean-field method is vailable. Therefore, the present simulation protocol will provide a necessary basis to study the coupling between the SRMs of neighboring strings, including the feasibility of the mean-field method.

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