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.

我们使用计算机模拟研究了一种具有大小双分散性和能量多分散性的复杂混合物。通过考虑随机的成对相互作用来引入双分散颗粒之间的能量多分散性。进行了广泛的分子动力学模拟，通过将其从高温流体状态淬灭为固态，计算出不同尺寸比和两种物质的浓度随温度变化的势能和邻域身份排序（NIO）参数。我们的发现表明，通过添加不同大小的粒子（也取决于粒子浓度）可以增强邻域身份顺序。此外，通过调整颗粒的尺寸比，可以实现NIO参数的相对较高的增长。