Related papers: A Unified Theory of Free Energy Functionals and Ap…
In previous publications [arXiv:1608.08430, arXiv:1704.06502], the authors have proposed Debye-H\"uckel-approximate free-energy functionals of the pair distribution functions for one-component fluid and two-component plasmas. These…
In this note, we show that the Local Molecular Field theory of Weeks et. al. can be re-derived as an extremum problem for an approximate Helmholtz free energy. Using the resulting free energy as a classical, fluid density functional yields…
Phase field models are widely used to describe multiphase systems. Here a smooth indicator function, called phase field, is used to describe the spatial distribution of the phases under investigation. Material properties like density or…
It is argued that the presence of a nonanalytic term in the effective potential of the Ginzburg-Landau model is immaterial as far as the order of the superconductor-normal phase transition is concerned. To achieve agreement with the…
To go beyond Gaussian approximation to the Hohenberg-Kohn free energy playing the key role in the density functional theory (DFT), the density functional \textit{integral} representation would be relevant, because field theoretical approach…
We present a generalization of the Debye-H\"uckel free-energy-density functional of simple fluids to the case of two-component systems with arbitrary interaction potentials. It allows one to obtain the two-component Debye-H\"uckel integral…
We develop a method to fit high-temperature Gibbs free energy data for the development of interatomic potentials for atomic systems. The approach is based on Hamiltonian thermodynamic integration, enabling the identification of suitable…
The paper contains an application of the generalized lattice model to multicomponent systems with internal degrees of freedom. The short-range inter-atomic repulsions and smooth long-range parts of the inter-atomic potentials are considered…
The Ginzburg - Landau theory is used for the superconducting structures free energy fluctuations study. On its basis, we have defined the value of the heat capacity jump in the macroscopic zero-dimensional sample and in the zero-dimensional…
We study the three-dimensional U(1)+Higgs theory (Ginzburg-Landau model) as an effective theory for finite temperature phase transitions from the 1 K scale of superconductivity to the relativistic scales of scalar electrodynamics. The…
Phase field models have been applied in recent years to grain boundaries in single-component systems. The models are based on the minimization of a free energy functional, which is constructed phenomenologically rather than being derived…
It is shown that the Shan-Chen (SC) model for non-ideal lattice fluids can be made compliant with a pseudo free-energy principle by simple addition of a gradient force, whose expression is uniquely specified in terms of the fluid density.…
We study the d-dimensional Cahn-Hilliard equation on the flat torus in a parameter regime in which the system size is large and the mean value is close---but not too close---to -1. We are particularly interested in a quantitative…
The Debye-H\"uckel approximation to the free-energy of a simple fluid is written as a functional of the pair correlation function. This functional can be seen as the Debye-H\"uckel equivalent to the functional derived in the hyper-netted…
A density-matrix formalism is developed based on the one-particle density-matrix of a single-determinantal reference-state. The v-representable problem does not appear in the proposed method, nor the need to introduce functionals defined by…
Ginzburg-Landau energy models arise as autonomous sto-chastic dynamics for the energies in coupled systems after a weak coupling limit (cf. [3, 6]). We prove here that, under certain conditions, the energy fluctuations of these stochastic…
An overview of several recent developments in density functional theory for classical inhomogeneous liquids is given. We show how Levy's constrained search method can be used to derive the variational principle that underlies density…
In this paper general dynamic equations describing the time evolution of isothermal quasi-incompressible multicomponent liquids are derived in the framework of the classical Ginzburg-Landau theory of first order phase transformations. Based…
A matrix model on a D-dimensional Euclidean space is introduced as a generalization of random matrix models and as a non-perturbative definition of discretized closed string theory. The free energy of the matrix model is formally derived to…
The intrinsic Helmholtz free-energy functional, the centerpiece of classical density functional theory, is at best only known approximately for 3D systems. Here we introduce a method for learning a neuralnetwork approximation of this…