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Does the Adam-Gibbs relation hold in simulated supercooled liquids?

机译:adam-gibbs关系是否在模拟过冷液体中保持?

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We perform stringent tests of thermodynamic theories of the glass transition over the experimentally relevant temperature regime for several simulated glass-formers. The swap Monte Carlo algorithm is used to estimate the configurational entropy and static point-to-set lengthscale, and careful extrapolations are used for the relaxation times. We first quantify the relation between configurational entropy and the point-to-set lengthscale in two and three dimensions. We then show that the Adam-Gibbs relation is generally violated in simulated models for the experimentally relevant time window. Collecting experimental data for several supercooled molecular liquids, we show that the same trends are observed experimentally. Deviations from the Adam-Gibbs relation remain compatible with random first order transition theory and may account for the reported discrepancies between Kauzmann and Vogel-Fulcher-Tammann temperatures. Alternatively, they may also indicate that even near T-g thermodynamics is not the only driving force for slow dynamics. Published under license by AIP Publishing.
机译:对于几种模拟玻璃器皿,在实验相关的温度制度上对玻璃过渡的热力学理论进行严格测试。 Swap Monte Carlo算法用于估计配置熵和静态点对点的纵笔,并且仔细的外推的放松时间。我们首先通过两和三维进行配置熵与点对点长度之间的关系。然后,我们显示ADAM-GIBBS关系通常在实验相关的时间窗口模拟模型中违反。收集几种过冷分子液体的实验数据,我们表明实验观察到相同的趋势。与Adam-Gibbs关系的偏差与随机的一阶转换理论仍然兼容,并且可能会占Kauzmann和Vogel-Furecher-Tammann温度之间报告的差异。或者,它们还可以表明即使接近T-G热力学也不是慢动力学的唯一驱动力。通过AIP发布在许可证下发布。

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