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Memory effects and dynamical correlations in liquid selenium

机译:液态硒中的记忆效应和动力学相关性

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The memory-function formulation for the velocity autocorrelation function has been used to study the dynamics of liquid selenium. A simple ansatz, the exponentially decaying memory function, is adopted to determine the autocorrelation function. The parameters occurring in the memory function are determined from the microscopic properties of liquid selenium. Dynamical variables like the power spectrum and mean square displacement are also evaluated. Besides, calculations are also done for the coherent behaviour of system in terms of dynamical structure factor. The frequency corresponding to first maxima of longitudinal current-current correlation is used to determine the wave vector dependence of the frequencies of collective modes. These results of low frequency vibrations are compared with the recently reported Neutron Scattering and Molecular Dynamics (MD) results of glassy and polycrystalline state of selenium, showing a remarkably good agreement with the polycrystalline state. (C) 1998 Elsevier Science B.V. All rights reserved. [References: 15]
机译:速度自相关函数的记忆函数公式已用于研究液态硒的动力学。采用简单的ansatz,即指数衰减记忆函数来确定自相关函数。记忆功能中出现的参数由液态硒的微观性质决定。还评估了功率谱和均方位移等动态变量。此外,还根据动力学结构因子对系统的相干行为进行了计算。与纵向电流-电流相关的第一最大值相对应的频率用于确定集合模式频率的波矢量依赖性。将低频振动的这些结果与最近报道的硒的玻璃态和多晶态的中子散射和分子动力学(MD)结果进行了比较,显示出与多晶态非常吻合。 (C)1998 Elsevier Science B.V.保留所有权利。 [参考:15]

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