Related papers: Comparing Mass-Preserving Numerical Methods for th…
We study the canonical variables based numerical schemes of a hybrid model with kinetic ions and mass-less electrons. Two equivalent formulations of the hybrid model are presented with the vector potentials in different gauges and the…
We propose a novel methodology for validating software product line (PL) models by integrating Statistical Model Checking (SMC) with Process Mining (PM). Our approach focuses on the feature-oriented language QFLan in the PL engineering…
A numerical tool relying on sharp Immersed Boundary Method (IBM) is developed for the analysis of aerospace applications. The method, which is conceived for application using segregated solvers relying on implicit time discretization, uses…
Achieving Li-S batteries' promise of significantly higher gravimetric energy density and lower cost than Li-ion batteries requires researchers to delineate the most important factors affecting the performance of this technology. By encoding…
The Cellular Potts Model (CPM) is a lattice based modeling technique which is widely used for simulating cellular patterns such as foams or biological tissues. Despite its realism and generality, the standard Monte Carlo algorithm used in…
The parabolic-elliptic Keller-Segel equation with sensitivity saturation, because of its pattern formation ability, is a challenge for numerical simulations. We provide two finite-volume schemes whose goals are to preserve, at the discrete…
We are interested in simulating blood flow in arteries with a one dimensional model. Thanks to recent developments in the analysis of hyperbolic system of conservation laws (in the Saint-Venant/ shallow water equations context) we will…
Achieving large-scale kinetic modelling is a crucial task for the development and optimization of modern plasma devices. With the trend of decreasing pressure in applications such as plasma etching, kinetic simulations are necessary to…
The locally self-consistent multiple scattering (LSMS) method can perform efficient first-principles calculations of systems with large number of atoms. In this work, we combine the Kubo-Greenwood equation with LSMS, enabling us to…
The spatial discretization of convective terms in compressible flow equations is studied from an abstract viewpoint, for finite-difference methods and finite-volume type formulations with cell-centered numerical fluxes. General conditions…
The paper provides a novel framework to study the accuracy and stability of numerical integration schemes when employed for the time domain simulation of power systems. A matrix pencil-based approach is adopted to evaluate the error between…
In this work, we derive particle schemes, based on micro-macro decomposition, for linear kinetic equations in the diffusion limit. Due to the particle approximation of the micro part, a splitting between the transport and the collision part…
We introduce a finite-volume numerical scheme for solving stochastic gradient-flow equations. Such equations are of crucial importance within the framework of fluctuating hydrodynamics and dynamic density functional theory. Our proposed…
Particle beam microscopy (PBM) performs nanoscale imaging by pixelwise capture of scalar values representing noisy measurements of the response from secondary electrons (SEs) integrated over a dwell time. Extended to metrology, goals…
This paper presents a Bayesian parameter estimation approach and identifiability analysis for a lithium-ion battery model, to determine the uniqueness, evaluate the sensitivity and quantify the uncertainty of a subset of the model…
We present a novel positive kinetic scheme built on the efficient collide-and-stream algorithm of the lattice Boltzmann method (LBM) to address hyperbolic conservation laws. We focus on the compressible Euler equations with strong…
The Smoothed Particle Hydrodynamics (SPH) is a particle-based, Lagrangian method for fluid-flow simulations. In this work, fundamental concepts of this method are first briefly recalled. Then, the ability to accurately model granular…
In a world made of atoms, the computer simulation of molecular systems, such as proteins in water, plays an enormous role in science. Software packages that perform these computations have been developed for decades. In molecular…
Wet particle separation is widely used in mineral processing and plastic recycling to separate mixtures of particulate materials into further usable fractions due to density differences. This work presents efforts aiming to numerically…
In this work, we have developed a multiscale computational algorithm to couple finite element method with an open source molecular dynamics code --- the Large scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) --- to perform…