论文标题
二进制Lennard-Jones系统中的单参数老化
Single-parameter aging in a binary Lennard-Jones system
论文作者
论文摘要
本文通过计算机模拟2：1 KOB-ANDEREN BINARE LENNARD-JONES混合物研究物理衰老，该系统比标准4：1组成的系统易于结晶。从热平衡状态开始，在温度下和向下监测以下四个数量的时间演变：势能，病毒，平均平方力和势能的拉普拉斯元素。尽管这里研究了与以前的实验相比，研究温度的跃升明显更大，但在近似值中，所有四个量符合单参数 - 与实验中的小跳跃的单参数衰老场景相符[Hecksher等，J。Chem。物理。 142，241103（2015）]。为了进一步确认单参数衰老，并在不同数量的情况下进行了常见的材料时间，因此发现其放松零件在所有温度跳跃中几乎相同。
This paper studies physical aging by computer simulations of a 2:1 Kob-Andersen binary Lennard-Jones mixture, a system that is less prone to crystallization than the standard 4:1 composition. Starting from thermal-equilibrium states, the time evolution of the following four quantities is monitored following up and down jumps in temperature: the potential energy, the virial, the average squared force, and the Laplacian of the potential energy. Despite the fact that significantly larger temperature jumps are studied here than in previous experiments, to a good approximation all four quantities conform to the single-parameter-aging scenario derived and validated for small jumps in experiments [Hecksher et al., J. Chem. Phys. 142, 241103 (2015)]. As a further confirmation of single-parameter aging with a common material time for the different quantities monitored, their relaxing parts are found to be almost identical for all temperature jumps.
