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首页> 外文期刊>The Journal of Chemical Physics >Effects of the attractive interactions in the thermodynamic, dynamic, and structural anomalies of a two length scale potential
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Effects of the attractive interactions in the thermodynamic, dynamic, and structural anomalies of a two length scale potential

机译:吸引力相互作用对两个长度尺度势的热力学,动力学和结构异常的影响

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Using molecular dynamic simulations, we study a system of particles interacting through a continuous core-softened potentials consisting of a hard core, a shoulder at closest distances, and an attractive well at further distance. We obtain the pressure-temperature phase diagram of this system for various depths of the tunable attractive well. Since this is a two length scale potential, density, diffusion, and structural anomalies are expected. We show that the effect of increasing the attractive interaction between the molecules is to shrink the region in pressure in which the density and the diffusion anomalies are present. If the attractive forces are too strong, particle will be predominantly in one of the two length scales and no density of diffusion anomaly is observed. The structural anomalous region is present for 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软化电位相互作用的粒子系统,该电位由硬核,最近距离的肩部和更远距离的吸引孔组成。我们获得了可调引力井各种深度的该系统的压力-温度相位图。由于这是两个长度尺度的电位,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,则颗粒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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