Related papers: Mathematical analysis of a thermodynamically consi…
Atomic scale simulations at finite temperature are an ideal approach to study the thermodynamic properties of magnetic transition metals. However, the development of interatomic potentials explicitly taking into account magnetic variables…
An analytical framework is proposed to describe the elasticity, viscosity and fragility of metallic glasses in relation to their atomic-level structure and the effective interatomic interaction. The bottom-up approach starts with forming an…
Understanding the evolution of electrified solid-liquid interfaces during electrochemical reactions is crucial. However, capturing the dynamic behavior of the interfaces with high temporal resolution and accuracy over long timescales…
This work reformulates the complete electrode model of electrical impedance tomography in order to enable more efficient numerical solution. The model traditionally assumes constant contact conductances on all electrodes, which leads to a…
We derive a variational expression for the correlation time of physical observables in steady-state diffusive systems. As a consequence of this variational expression, we obtain lower bounds on the correlation time, which provide speed…
This work overviews a new, recent success of phase-field modelling: its application to predicting the evolution of the corrosion front and the associated structural integrity challenges. Despite its important implications for society,…
In this paper we propose a nonlinear elasticity model of macromolecular conformational change (deformation) induced by electrostatic forces generated by an implicit solvation model. The Poisson-Boltzmann equation for the electrostatic…
Boundary effects are central to the dynamics of the dilute particles governed by Boltzmann equation. In this paper, we study both the diffuse reflection and the specular reflection boundary value problems for Boltzmann equation with soft…
Fluid dynamics simulations of melting and crater formation at the surface of a copper cathode exposed to high plasma heat fluxes and pressure gradients are presented. The predicted deformations of the free surface and the temperature…
Understanding and predicting a material's performance in response to high-energy radiation damage, as well as designing future materials to be used in intense radiation environments, requires the knowledge of the structure, morphology and…
Many physical systems are described by probability distributions that evolve in both time and space. Modeling these systems is often challenging to due large state space and analytically intractable or computationally expensive dynamics. To…
Chemical reactions involve the movement of charges, and this work presents a mathematical model for describing chemical reactions in electrolytes. The model is developed using an energy variational method that aligns with classical…
Metals can serve as carbon-free energy carriers, e. g. in innovative metal-metal oxide cycles as proposed by Bergthorson (Prog. Energy Combust. Sci., 2018). Iron powder is a suitable candidate since it can be oxidized with air.…
We prove uniqueness of self-similar profiles for the one-dimensional inelastic Boltzmann equation with moderately hard potentials, that is with collision kernel of the form | $\bullet$ | $\gamma$ for $\gamma$ > 0 small enough (explicitly…
We propose a kinetic framework for single-component non-ideal isothermal flows. Starting from a kinetic model for a non-ideal fluid, we show that under conventional scaling the Navier-Stokes equations with a non-ideal equation of state are…
We present an analysis of the stability, energy and torque properties of a model Bursian diode in a one dimensional Eulerian framework using the cold Euler-Poisson fluid equations. In regions of parameter space where there are two sets of…
The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into…
We prove the appearance of an explicit lower bound on the solution to the full Boltzmann equation in the torus for a broad family of collision kernels including in particular long-range interaction models, under the assumption of some…
Laser ablation is often explained by a two-temperature model (TTM) with different electron and lattice temperatures. To realize a classical molecular dynamics simulation of the TTM, we propose an extension of the embedded atom method to…
Analysis of an interface stabilised finite element method for the scalar advection-diffusion-reaction equation is presented. The method inherits attractive properties of both continuous and discontinuous Galerkin methods, namely the same…