论文标题
激发种群为液体提供热力学秩序参数
Excitation Populations Provide a Thermodynamic Order Parameter for Liquids
论文作者
论文摘要
最近的模拟和模型系统研究表明，局部结构激发在液体和眼镜的动力学中起着重要作用。在这里，我们第一次量化了真实液体中的激发群，表明他们的温度依赖性种群可以从熵和熔化的焓中预测。我们进一步表明，第一个溶剂壳中的激发群是动态异质性出现以及在液体松弛的不同机械方案之间转变的订单参数。我们提出了一个场景，为这些以前的液体行为方面提供了简单的物理解释。
Recent simulation and model system studies suggest that local structural excitations play an important role in the dynamics of liquids and glasses. Here, for the first time, we quantify excitation populations in real liquids, showing that their temperature-dependent population can be predicted from entropy and enthalpy of melting. We further show that the excitation population in the first solvent shell serves as an order parameter for the appearance of dynamic heterogeneity and for driving transformations between distinct mechanistic regimes of liquid relaxation. We propose a scenario that provides simple physical explanations for these previously enigmatic aspects of liquid behavior.
