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Effects of attractive interactions in the thermodynamic, dynamic and structural anomalies of a two length scale potential

机译:吸引相互作用在热力学,动力学和动力学中的作用   两个长度尺度潜力的结构异常

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摘要

Using molecular dynamic simulations we study a system of particlesinteracting through a continuous core-softened potentials consisting of a hardcore, a shoulder at closest distances and an attractive well at furtherdistance. We obtain the pressure-temperature phase diagram of of this systemfor various depths of the tunable attractive well. Since this is a two lengthscales potential, density, diffusion and structural anomalies are expected. Weshow that the effect of increasing the attractive interaction between themolecules is to shrink the region in pressure in which the density and thediffusion anomalies are present. If the attractive forces are too strong,particle will be predominantly in one of the two length scales and no densityof diffusion anomaly is observed. The structural anomalous region is presentfor all the cases.
机译:使用分子动力学模拟,我们研究了一个通过连续的核心软化电位相互作用的粒子系统,该电位包括一个硬核,一个最近距离的肩和一个更远距离的吸引孔。我们获得了该系统对可调引力井各种深度的压力-温度相位图。由于这是两个长度标尺,因此可以预期密度,扩散和结构异常。我们表明,增加分子之间的吸引力相互作用的作用是缩小存在密度和扩散异常的压力区域。如果吸引力太强,粒子将主要处于两个长度尺度之一,并且不会观察到扩散异常的密度。在所有情况下都存在结构异常区域。

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