论文标题
偶极子互相关在极性玻璃形成液体中的关键作用的计算证据
The computational evidence for the crucial role of the dipole cross-correlations in the polar glass-forming liquids
论文作者
论文摘要
在这封信中，我们分析了从分子动力学模拟获得的偶极 - 偶极相关性，用于强和弱极模型液体。结果，我们发现在介电光谱实验中直接测量的系统总偶极矩相关函数的互相关贡献对于弱极性液体是可忽略的。相比之下，互相关项在自我相关方面占主导地位。因此，我们的研究强烈支持Pabst等人最近提出的玻璃形成液体的介电光谱性质的解释。
In this letter, we analyze the dipole-dipole correlations obtained from the molecular dynamics simulations for strongly- and weakly-polar model liquids. As a result, we found that cross-correlations contribution to the systems total dipole moment correlation function, which is directly measured in the dielectric spectroscopy experiment, is negligible for weakly-polar liquids. In contrast, the cross-correlations term dominates over the self-correlations one for examined strongly polar-liquid. Consequently, our studies strongly support the interpretation of the dielectric spectra nature of the glass forming liquids, recently proposed by Pabst et al.
