相关论文: Mean-field Density Functional Theory of a Three-Ph…
The dynamical-mean-field method is applied to investigate the transport properties of heterostructures consisting of a strongly-correlated electron system connected to metallic leads. The spectral function inside the correlated region is…
Understanding the nanoscale effects controlling the dynamics of a contact line -- defined as the line formed at the junction of two fluid phases and a solid -- has been a longstanding problem in fluid mechanics pushing experimental and…
Within a semi--infinite thre--dimensional lattice gas model describing the coexistence of two phases on a substrate, we study, by cluster expansion techniques, the free energy (line tension) associated with the contact line between the two…
Equilibrium properties of long-range interacting systems on lattices are investigated. There was a conjecture by Cannas et. al. that the mean-field theory is exact for spin systems with non-additive long-range interactions. This is called…
A density functional theory for a macroion suspension is examined, where the excess free energy corresponds to the macroion self energy arising from the polarisation of the supporting electrolyte solution. This is treated within a…
We study the nanoscale behaviour of the density of a simple fluid in the vicinity of an equilibrium contact line for a wide range of Young contact angles between 40 and 135 degrees. Cuts of the density profile at various positions along the…
Ground-state properties of a two-dimensional fluid of bosons with repulsive dipole-dipole interactions are studied by means of the Euler-Lagrange hypernetted-chain approximation. We present a self-consistent semi-analytical theory of the…
The primitive model describes ions by point charges with an additional hard-core interaction. In classical density-functional theory the mean-field electrostatic contribution can be obtained from the first order of a functional perturbation…
Active systems, which are driven out of equilibrium by local non-conservative forces, exhibit unique behaviors and structures with potential utility for the design of novel materials. An important and difficult challenge along the path…
A rigorous free energy model for ternary fluid flows with density ratio up to of order $O(10^3)$ is presented and implemented using the entropic lattice Boltzmann scheme. The model is thermodynamically consistent and allows a broad range of…
We use simulation-based supervised machine learning and classical density functional theory to investigate bulk and interfacial phenomena associated with phase coexistence in binary mixtures. For a prototypical symmetrical Lennard-Jones…
We study a system of interacting triplons (the elementary excitations of a valence-bond solid) described by an effective interacting boson model derived within the bond-operator formalism. In particular, we consider the square lattice…
The formally exact framework of equilibrium Density Functional Theory (DFT) is capable of simultaneously and consistently describing thermodynamic and structural properties of interacting many-body systems in arbitrary external potentials.…
A novel mechanical approach is developed to explore by means of atom-scale simulation the concept of line tension at a solid-liquid-vapor contact line as well as its dependence on temperature, confinement, and solid/fluid interactions. More…
Results from Monte Carlo simulations of wall-attached droplets in the three-dimensional Ising lattice gas model and in a symmetric binary Lennard-Jones fluid, confined by antisymmetric walls, are analyzed, with the aim to estimate the…
Phase correlations, density fluctuations and three-body loss rates are relevant for many experiments in quasi one-dimensional geometries. Extended mean-field theory is used to evaluate correlation functions up to third order for a quasi…
We model a system of ultracold fermionic dipolar molecules on a two-dimensional square lattice. Assuming that the molecules are in their nondegenerate hyperfine ground state, and that the dipole moment is polarized perpendicular to the…
We suggest a 3D phase field model to describe 3D cell spreading on a flat substrate. The model is a simplified version of a minimal model that was developed in [1]. Our model couples the order parameter $u$ with 3D polarization…
A recently proposed local second contact value theorem [Henderson D., Boda D., J. Electroanal. Chem., 2005, 582, 16] for the charge profile of an electric double layer is used in conjunction with the existing Monte Carlo data from the…
In this paper, we develop a novel phase-field model for fluid-structure interaction (FSI), that is capable to handle very large deformations as well as topology changes like contact of the solid to the domain boundary. The model is based on…