Probing the glass transition from structural and vibrational properties of zero-temperature glasses.
Probing the glass transition from structural and vibrational properties of zero-temperature glasses.
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DOI：
10.1103/physrevlett.112.055701
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发表时间：
2014-02
影响因子：
8.6
通讯作者：
Lijin Wang;N. Xu
中科院分区：
文献类型：
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作者：
Lijin Wang;N. Xu
我们发现Lennard-Jones（LJ）和Weeks-Chandler-Andersen（WCA）系统的玻璃化转变温度的密度依赖性可以从零温（T=0）玻璃的性质来预测。在交叉密度ρs以下，LJ和WCA玻璃表现出不同的结构，导致不同的振动性质，从而使LJ玻璃比WCA玻璃更稳定，玻璃化转变温度更高。在ρs以上，T=0玻璃的结构和振动量显示出标度坍缩。从标度关系和量纲分析，我们预测的玻璃化转变温度的密度标度，与模拟结果非常吻合。我们还提出了一个经验表达式的玻璃化转变温度使用的T=0的玻璃，它的工作以及在很宽的密度范围内的结构和振动特性。
We find that the density dependence of the glass transition temperature of Lennard-Jones (LJ) and Weeks-Chandler-Andersen (WCA) systems can be predicted from properties of the zero-temperature (T=0) glasses. Below a crossover density ρs, LJ and WCA glasses show different structures, leading to different vibrational properties and consequently making LJ glasses more stable with higher glass transition temperatures than WCA ones. Above ρs, structural and vibrational quantities of the T=0 glasses show scaling collapse. From scaling relations and dimensional analysis, we predict a density scaling of the glass transition temperature, in excellent agreement with simulation results. We also propose an empirical expression of the glass transition temperature using structural and vibrational properties of the T=0 glasses, which works well over a wide range of densities.