相关论文: A unified electrostatic and cavitation model for f…
We present a solution to the conservation form (Eulerian form) of the quantum hydrodynamic equations which arise in chemical dynamics by implementing a mixed/discontinuous Galerkin (MDG) finite element numerical scheme. We show that this…
Alignment of electrostatic potential between different atomic configurations is necessary for first-principles calculations of band offsets across interfaces and formation energies of charged defects. However, strong oscillations of this…
The simulation of thermochemical nonequilibrium for the atomic and molecular energy level populations in plasma flows requires a comprehensive modeling of all the elementary collisional and radiative processes involved. Coupling detailed…
The paper develops a solver based on a conforming finite element method for a 3D--1D coupled incompressible flow problem. New coupling conditions are introduced to ensure a suitable bound for the cumulative energy of the model. We study the…
Cavity modification of material properties and phenomena is a novel research field largely motivated by the advances in strong light-matter interactions. Despite this progress, exact solutions for extended systems strongly coupled to the…
We consider a one-dimensional kinetic model of granular media in the case where the interaction potential is quadratic. Taking advan- tage of a simple first integral, we can use a reformulation (equivalent to the initial kinetic model for…
We investigate discretization strategies for a recently introduced class of energy-based models. The model class encompasses classical port-Hamiltonian systems, generalized gradient flows, and certain systems with algebraic constraints. Our…
We formulate a coupled surface/subsurface flow model that relies on hydrostatic equations with free surface in the free flow domain and on the Darcy model in the subsurface part. The model is discretized using the local discontinuous…
We derive some fluid-dynamic models for electron transport near a Dirac point in graphene. We start from a kinetic model constituted by a set of spinorial Wigner equations, we make suitable scalings (hydrodynamic or diffusive) of the model…
We present a simulation scheme for discrete-velocity gases based on {\em local thermodynamic equilibrium}. Exploiting the kinetic nature of discrete-velocity gases, in that context, results in a natural splitting of fluxes, and the…
We propose higher-order isoparametric finite element approximations for mean curvature flow and surface diffusion. The methods are natural extensions of the piecewise linear finite element methods introduced by Barrett, Garcke, and…
We use a hydrodynamic model to describe the relaxation of optically injected currents in quantum wells on a picosecond time scale, numerically solving the continuity and velocity evolution equations with the Hermite-Gaussian functions…
Einstein equations are addressed with the energy-momentum tensor that appears if the equations under discussion are required to possess conformal invariance. It is proved that thus derived equations (equations of conformally invariant…
A methodology is proposed for formulating dynamic equations in thermo-piezoelectric and dissipative media from the first principle of energy conservation. The results are in agreement with those from Hamiltonian principle. Our formulations…
Quantum-chemical processes in liquid environments impact broad areas of science, from molecular biology to geology to electrochemistry. While density-functional theory (DFT) has enabled efficient quantum-mechanical calculations which…
We consider a modified formulation for the recently developed new approach in the continuum solvation theory (Basilevsky, M. V., Grigoriev, F. V., Nikitina, E. A., Leszczynski, J., J. Phys. Chem. B 2010, 114, 2457), which is based on the…
A dispersive wave hydro-sediment-morphodynamic model developed by complementing the shallow water hydro-sediment-morphodynamic (SHSM) equations with the dispersive term from the Green-Naghdi equations is presented. A numerical solution…
The study of vesicles in suspension is important to understand the complicated dynamics exhibited by cells in vivo and in vitro. We developed a computer simulation based on the boundary-integral method to model the three dimensional…
Several UV complete models of physics beyond the Standard Model are currently under scrutiny, their low-energy dynamics being compared with the experimental data from the LHC. Lattice simulations can play a role in these studies by…
Isothermal compressible two-phase flows with and without phase transition are modeled, employing Darcy's and/or Forchheimer's law for the velocity field. It is shown that the resulting systems are thermodynamically consistent in the sense…