Replica Field Theory for a Generalized Franz-Parisi Potential of Inhomogeneous Glassy Systems: New Closure and the Associated Self-Consistent Equation

• Published in: Entropy (Basel, Switzerland) Vol. 26; no. 3; p. 241
• Main Author: Frusawa, Hiroshi
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 08.03.2024; MDPI
• Subjects: Analysis; Approximation; Correlation; Coupled modes; Density functional theory; Density functionals; Energy; Entropy; Field theory; Franz–Parisi potential; Free energy; Heterogeneity; Investigations; Localization; replica theory; self-consistent equation; Simulation; supercooled liquids; Transition temperature; Franz–Parisi potential; replica theory; supercooled liquids; self-consistent equation; density functional theory
• ISSN: 1099-4300; 1099-4300
• 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.