Frusawa Hiroshi
Laboratory of Statistical Physics, Kochi University of Technology, Tosa-Yamada, Kochi 782-8502, Japan.
Entropy (Basel). 2024 Mar 8;26(3):241. doi: 10.3390/e26030241.
On approaching the dynamical transition temperature, supercooled liquids show heterogeneity over space and time. Static replica theory investigates the dynamical crossover in terms of the free energy landscape (FEL). Two kinds of static approaches have provided a self-consistent equation for determining this crossover, similar to the mode coupling theory for glassy dynamics. One uses the Morita-Hiroike formalism of the liquid state theory, whereas the other relies on the density functional theory (DFT). Each of the two approaches has advantages in terms of perturbative field theory. Here, we develop a replica field theory that has the benefits from both formulations. We introduce the generalized Franz-Parisi potential to formulate a correlation functional. Considering fluctuations around an inhomogeneous density determined by the Ramakrishnan-Yussouf DFT, we find a new closure as the stability condition of the correlation functional. The closure leads to the self-consistent equation involving the triplet direct correlation function. The present field theory further helps us study the FEL beyond the mean-field approximation.
在接近动力学转变温度时,过冷液体在空间和时间上表现出不均匀性。静态副本理论根据自由能景观(FEL)研究动力学交叉。两种静态方法提供了一个用于确定这种交叉的自洽方程,类似于玻璃态动力学的模式耦合理论。一种使用液态理论的森田-广池形式,而另一种依赖于密度泛函理论(DFT)。这两种方法在微扰场论方面各有优势。在这里,我们发展了一种从两种表述中都受益的副本场论。我们引入广义弗朗兹-帕里西势来构建一个关联泛函。考虑围绕由拉马钱德兰-尤素福DFT确定的非均匀密度的涨落,我们找到了一个作为关联泛函稳定性条件的新封闭关系。该封闭关系导致了涉及三重直接关联函数的自洽方程。当前的场论进一步帮助我们研究超越平均场近似的自由能景观。