ABSTRACT We study a complex mixture with bidispersity in size and polydispersity in energy using computer simulation. The energy polydispersity between the bidisperse particles is introduced by considering random pair-wise interactions. Extensive molecular dynamics simulations are performed to compute potential energy and neighborhood identity ordering (NIO) parameter as a function of temperature for different size-ratios and concentrations of the two species by quenching it from a high-temperature fluid state to a solid state. Our findings demonstrate an enhancement of the neighborhood identity ordering on the addition of particles of different sizes, which also depends on particle concentration. Moreover, a comparatively higher increase in the NIO parameter is achieved by tuning the size-ratio of the particles. We also propose that the NIO parameter is a good marker to differentiate multicomponent systems (below the liquid to solid transition temperature) with different size-ratios and concentrations.

中文翻译：

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具有随机成对相互作用的双分散混合物中颗粒之间增强的吸引力

摘要 我们使用计算机模拟研究了具有大小双分散性和能量多分散性的复杂混合物。双分散粒子之间的能量多分散性是通过考虑随机成对相互作用引入的。执行广泛的分子动力学模拟，通过将两种物质从高温流体态淬火到固态，计算势能和邻域同一性排序 (NIO) 参数作为温度的函数，这两种物质的大小比和浓度不同。我们的研究结果表明，添加不同大小的粒子会增强邻域身份排序，这也取决于粒子浓度。此外，通过调整颗粒的尺寸比，NIO 参数的增加相对较高。