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arXiv 1004.4738cond-mat.dis-nn
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模型玻璃成型机的potential energy景观中表现出的老化效应

Aging effects manifested in the potential energy landscape of a model glass former

Christian Rehwald, Nicoletta Gnan, Andreas Heuer, Thomas Schrøder, Jeppe C. Dyre, Gregor Diezemann

摘要:

我们对模型玻璃形成液体(二元Kob-Anderson Lennard-Jones模型)进行了分子动力学模拟,并考虑了老化过程中固有能量和变质基的分布。除了执行从高温度到低目标温度的温度跳跃的典型协议之外,我们考虑在“向上跳跃”之后,即从低温度到高温度的分布的时间演变。在这种情况下,兆巴辛能量的分布表现出瞬态双峰结构。我们的结果可以定性地合理化的陷阱模型与高斯分布的陷阱能量。针对不同的系统尺寸进行分析。与陷阱模型的详细比较是可能的,因为主要的平均效应较大的系统,只有一个小的系统。

英文摘要:

We present molecular dynamics simulations of a model glass-forming liquid (the binary Kob-Anderson Lennard-Jones model) and consider the distributions of inherent energies and metabasins during aging. In addition to the typical protocol of performing a temperature jump from a high temperature to a low destination temperature, we consider the temporal evolution of the distributions after an 'up-jump', i.e. from a low to a high temperature. In this case the distribution of megabasin energies exhibits a transient two-peak structure. Our results can qualitatively be rationalized in terms of a trap model with a Gaussian distribution of trap energies. The analysis is performed for different system sizes. A detailed comparison with the trap model is possible only for a small system because of major averging effects for larger systems.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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