AI 中文总结
研究二元 Lennard-Jones 混合物大幅温度跃升后的物理老化，针对 Tool-Narayanaswamy 概念在处理此类跃升时效果不佳的问题，通过为各可观测值分配单独材料时间来改进，发现均方位移改善最明显。
AI 中文摘要
我们分析了从平衡的、缓慢弛豫状态经历大幅温度跃升后的物理老化模拟。具体而言，我们考虑二元 Lennard-Jones 混合物中从温度 T = 0.43 和 T = 0.37 跃升至 T = 0.48 的情况。Tool-Narayanaswamy（TN）通用材料时间概念最近被证明在合理化此类大幅跃升的老化响应方面效果不佳。在此，我们研究通过为每个可观测值分配单独的材料时间，TN 形式主义的性能是否能得到改善。我们研究了势能时间自相关函数、自中间散射函数和时间相关均方位移。作为研究一部分，我们详细分析了材料时间存在的必要条件——三角关系的满足程度。我们发现，对于所有这三个性质，当每个性质由其自身的材料时间参数化时，能得到最佳的数据塌缩。然而，可观测值之间的改善程度差异很大；均方位移的改善最为明显。
英文摘要
We analyze simulations of physical aging following large temperature up-jumps from equilibrated, slowly relaxing states. Specifically, we consider up-jumps from temperatures T=0.43 and T=0.37 to T=0.48 in a binary Lennard-Jones mixture. The Tool-Narayanaswamy (TN) concept of a universal material time was recently shown to become less effective in rationalizing the aging response for such large jumps [Amari et al., Phys. Rev. E 113, 045411 (2026)]. Here, we investigate whether the performance of the TN formalism can be improved by assigning a separate material time to each observable. We examine the potential-energy time-autocorrelation function, the self-intermediate scattering function, and the time-dependent mean-square displacement. As part of this study, we perform a detailed analysis of the extent to which the triangular relation, a necessary condition for the existence of a material time, is satisfied. We find that, for all three properties, the best data collapse is obtained when each property is parameterized by its own material time. The degree of improvement varies considerably among the observables, however; it is most pronounced for the mean-square displacement.
Comments13 figure, 18 pages
