论文标题
动态邻居：一种表征相变的工具的建议
Dynamic neighbors: a proposal of a tool to characterize phase transitions
论文作者
论文摘要
对于硬粒子的分子动力学模拟，我们将动态邻居定义为在特定时间间隔内与给定参考文献相撞的不同颗粒。该定义使我们能够确定动态邻居数量，平均值和其标准偏差的分布。我们将证明，无论用于识别动态邻居的时间窗口如何，它们的分布都与扩散系数，结构和配置熵相关。因此，动态邻居数量的分布可能被用作洞悉硬系统动态行为的另一种工具。我们在由硬盘和球体的单分散和二元混合物组成的2D和3D系统上测试了这种方法。结果表明，实施动态邻居来定义订单参数可以锐化发生过渡的信号。
For molecular dynamics simulations of hard particles, we define dynamic neighbors as the distinct particles that collide with a given reference one during a specific time interval. This definition allows us to determine the distribution of the number of dynamic neighbors, its average, and its standard deviation. We will show that regardless of the time window used to identify dynamic neighbors, their distribution is correlated with diffusion coefficients, structure, and configurational entropy. Thus, it is likely that the distribution of the number of dynamic neighbors may be employed as another tool to gain insights into the dynamic behavior of hard systems. We tested this approach on 2D and 3D systems consisting of monodisperse and binary mixtures of hard disks and spheres. Results show that implementing dynamic neighbors to define order parameters can sharpen the signals where transitions take place.
