Related papers: Variational approximation method for the long-rang…
We report detailed theoretical investigations of the micro-mechanics and bulk elastic properties of composites consisting of randomly distributed stiff fibers embedded in an elastic matrix in two and three dimensions. Recent experiments…
In mechanics, common energy principles are based on fixed boundary conditions. However, in bridge engineering structures, it is usually necessary to adjust the boundary conditions to make the structure's internal force reasonable and save…
Energy transfer (relaxation) phenomena are ubiquitous in nature. At a macroscopic level, the phenomenological theory of heat (Fourier law) successfully describes heat transfer and energy flow. However, its microscopic origin is still under…
We formulate a class of velocity-free finite-particle methods for mass transport problems based on a time-discrete incremental variational principle that combines entropy and the cost of particle transport, as measured by the Wasserstein…
We present a variational principle governing the quasistatic evolution of a linearized elastoplastic material. In case of linear hardening, the novel characterization allows to recover and partly extend some known results and proves itself…
In this paper, we first develop a mathematical model for long-range, hydrophobic attraction between amphiphilic particles. The non-pairwise interactions follow from the first variation of a hydrophobic attraction domain functional. The…
We derive unconditionally stable and convergent variable-step BDF2 scheme for solving the MBE model with slope selection. The discrete orthogonal convolution kernels of the variable-step BDF2 method is commonly utilized recently for solving…
We propose a new class of finite element approximations to ideal compressible magnetohydrodynamic equations in smooth regime. Following variational approximations developed for fluid models in the last decade, our discretizations are built…
Evidence suggests that the transport rate of a passive particle at long timescales is enhanced due to interactions with the surrounding active ones in a size- and composition-dependent manner. Using a system of particles with different…
We present a virtual element method (VEM) for the numerical approximation of the electromagnetics subsystem of the resistive magnetohydrodynamics (MHD) model in two spatial dimensions. The major advantages of the virtual element method…
The equilibrium state of a system consisting of a large number of strongly interacting electrons can be characterized by its density operator. This gives a direct access to the ground-state energy or, at finite temperatures, to the free…
Vibrationally inelastic electron transport through a flexible molecular junction is investigated. The study is based on a mechanistic model for a biphenyl molecule between two metal electrodes. Employing methods from electron-molecule…
The velocity distribution in a homogeneously cooling granular gas has been studied in the viscoelastic regime when the restitution coefficient of colliding particles depends on the impact velocity. We show that for viscoelastic particles…
In this work, we have developed a variational Bayesian inference theory of elasticity, which is accomplished by using a mixed Variational Bayesian inference Finite Element Method (VBI-FEM) that can be used to solve the inverse deformation…
In this work, we review the framework of the Virtual Element Method (VEM) for a model in magneto-hydrodynamics (MHD), that incorporates a coupling between electromagnetics and fluid flow, and allows us to construct novel discretizations for…
A number of problems arise when long-range forces, such as those governed by Bessel functions, are used in particle-particle simulations. If a simple cut-off for the interaction is used, the system may find an equilibrium configuration at…
The computation of free energies is a common issue in statistical physics. A natural technique to compute such high dimensional integrals is to resort to Monte Carlo simulations. However these techniques generally suffer from a high…
A refined a priori error analysis of the lowest order (linear) Virtual Element Method (VEM) is developed for approximating a model two dimensional Poisson problem. A set of new geometric assumptions is proposed on shape regularity of…
A parameterization strategy for molecular models on the basis of force fields is proposed, which allows a rapid development of models for small molecules by using results from quantum mechanical (QM) ab initio calculations and thermodynamic…
This paper is committed to investigate an extension of the classical adaptive biasing force method, which is used to compute the free energy related to the Boltzmann-Gibbs measure and a reaction coordinate function. The issue of this…