The theory developed in our previous papers [Phys. Rev. E 99, 030101(R) (2019); Phys. Rev. E 103, 032611 (2021)] is applied in this paper to investigate the dependence of slowing down of dynamics of glass-forming liquids on the attractive and repulsive parts of intermolecular interactions. Through an extensive comparison of the behavior of a Lennard-Jones glass-forming liquid and that of its WCA reduction to a model with truncated pair potential without attractive tail, we demonstrate why the two systems exhibit very different dynamics despite having nearly identical pair correlation functions. In particular, we show that local structures characterized by the number of mobile and immobile particles around a central particle markedly differ in the two systems at densities and temperatures where their dynamics show large difference and nearly identical where dynamics nearly overlap. We also show how the parameter $\psi \left(T\right)$ that measures the role of fluctuations embedded in the system on size of the cooperatively reorganizing cluster (CRC) and the crossover temperature $T_a$ depend on the intermolecular interactions. These parameters stemming from the intermolecular interactions characterize the temperature and density dependence of structural relaxation time ${\tau }_{\alpha }$. The quantitative and qualitative agreements found with simulation results for the two systems suggest that our theory brings out the underlying features that determine the dynamics of glass-forming liquids.

中文翻译：

---

吸引和排斥相互作用如何影响玻璃形成液的结构有序性和动力学

该理论在我们之前的论文中有所发展。启ë 99，030101（R）（2019）; 物理 修订版E 103，032611（2021）]用于研究玻璃形成液体动力学减慢对分子间相互作用的吸引和排斥部分的依赖性。通过将Lennard-Jones玻璃形成液的行为与其将WCA还原到具有截短的对电位且没有引人注目的尾巴的模型的行为进行的广泛比较，我们证明了尽管两个系统具有几乎相同的对相关函数，但为何它们仍表现出截然不同的动力学特性。特别地，我们表明，以密度和温度为中心的两个系统中，以中心粒子周围的可移动和不可移动粒子数量为特征的局部结构在其动力学表现出大的差异而在动力学几乎重叠的情况下几乎相同。我们还展示了参数$\psi （Ť）$ 衡量系统中嵌入的波动对协作重组集群（CRC）的大小和交叉温度的作用 ${Ť}_{\mathrm{一种}}$取决于分子间的相互作用。这些来自分子间相互作用的参数表征了结构弛豫时间的温度和密度依赖性${\tau }_{\alpha }$。在两个系统的模拟结果中发现的定量和定性一致性表明，我们的理论提出了决定玻璃形成液动力学的潜在特征。