Related papers: Sequential cavity method for computing free energy…
The main objective of this paper is to explore the precise relationship between the Bethe free energy (or entropy) and the Shannon conditional entropy of graphical error correcting codes. The main result shows that the Bethe free energy…
Using molecular-dynamics simulation, we have calculated the interfacial free energy, \gamma, between a hard-sphere fluid and hard spherical and cylindrical colloidal particles, as functions of the particle radius R and the fluid packing…
Free energies play a central role in many descriptions of equilibrium and non-equilibrium properties of solids. Continuum partial differential equations (PDEs) of atomic transport, phase transformations and mechanics often rely on first and…
A new method based on the concept of probability distribution is proposed to analyze the finite volume energy spectrum in lattice QCD. Using synthetic lattice data, we demonstrate that for the channel with quantum numbers of the…
First principle calculation of the QCD spectral functions (SPFs) based on the lattice QCD simulations is reviewed. Special emphasis is placed on the Bayesian inference theory and the Maximum Entropy Method (MEM), which is a useful tool to…
Surface tension has a strong influence on the shape of fluid interfaces. We propose a method to calculate the corresponding forces efficiently. In contrast to several previous approaches, we discriminate to this end between surface and…
A recently developed statistical mechanical Quasi-Chemical Theory (QCT) has led to significant insights into solvation phenomena for both hydrophilic and hydrophobic solutes. The QCT exactly partitions solvation free energies into three…
The self-potential (SP) method is a passive geophysical method that relies on the measurement of naturally occurring electrical field. One of the contributions to the SP signal is the streaming potential, which is of particular interest in…
This paper studies sample average approximation (SAA) in solving convex or strongly convex stochastic programming (SP) problems. In estimating SAA's sample efficiency, the state-of-the-art sample complexity bounds entail metric entropy…
The vacuum expectation value of the surface energy-momentum tensor is evaluated for a massless scalar field obeying mixed boundary condition on an infinite plate moving by uniform proper acceleration through the Fulling-Rindler vacuum. The…
The curvature dependence of interfacial free energy, which is crucial in quantitatively predicting nucleation kinetics and the stability of bubbles and droplets, can be described in terms of the Tolman length {\delta}. For solid-liquid…
We study large $n$ expansions for the partition function of a Coulomb gas $$Z_n=\frac 1 {\pi^n}\int_{\mathbb{C}^n}\prod_{1\le i<j\le n}|z_i-z_j|^2\prod_{i=1}^n e^{-nQ(z_i)}\, d^2 z_i,$$ where $Q$ is a radially symmetric confining potential…
We construct a finite element method for the numerical solution of a fractional porous medium equation on a bounded open Lipschitz polytopal domain $\Omega \subset \mathbb{R}^{d}$, where $d = 2$ or $3$. The pressure in the model is defined…
We present a molecular dynamics based method for computing accurately short-range structural forces resulting from the overlap of spatially diffuse solid-liquid interfaces at wetted grain boundaries close to the melting point. The method is…
We consider the surface Stokes equation on a smooth closed hypersurface in three-dimensional space. For discretization of this problem a generalization of the surface finite element method (SFEM) of Dziuk-Elliott combined with a Hood-Taylor…
Estimating the free energy in molecular simulation requires, implicitly or explicitly, counting how many times the system is observed in a finite region. If the simulation is biased by an external potential, the weight of the configurations…
We provide a basic method of Smoothed Particle Hydrodynamics (SPH) to simulate liquid droplet with surface tension in three dimensions. Liquid droplet is a simple case for surface tension modeling. Surface tension works only on fluid…
The elastic deformation of a soft solid induced by capillary forces crucially relies on the excess stress inside the solid-liquid interface. While for a liquid-liquid interface this "surface stress" is strictly identical to the "surface…
Motivated by an experimental interest we investigate by the means of atomistic Molecular Dynamics simulation the ability of density-independent, empiric density-dependent, and recently proposed embedded-atom force fields for liquid mercury…
The on lattice $\phi^4$ model is a paradigmatic example of continuous real variables model undergoing a continuous symmetry braking phase transition (SBPT). In this paper we study the $\mathbb{Z}_2$-symmetric mean-field version without the…