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Distributed point charge models (DCM) and their minimal variants (MDCM) have been integrated with tools widely used for condensed-phase simulations, including a virial-based barostat and a slow-growth algorithm for thermodynamic…
Here we present the mathematical and numerical details of a general hybrid model for plasmas. All grid quantities are stored at cell centers on the grid. The most common discretization of the fields in PIC solvers is to have the electric…
A new approach to the kinetic simulation of plasmas in complex geometries, based on the Particle-in- Cell (PIC) simulation method, is explored. In the two dimensional (2d) electrostatic version of our method, called the Arbitrary…
We consider the issue of strict, fully discrete \emph{local} energy conservation for a whole class of fully implicit local-charge- and global-energy-conserving particle-in-cell (PIC) algorithms. Earlier studies demonstrated these algorithms…
The EMI (Extracellular-Membrane-Intracellular) model describes electrical activity in excitable tissue, where the extracellular and intracellular spaces and cellular membrane are explicitly represented. The model couples a system of partial…
The rapidly growing use of lithium-ion batteries across various industries highlights the pressing issue of optimal charging control, as charging plays a crucial role in the health, safety and life of batteries. The literature increasingly…
Elliptic partial differential equations (PDEs) with discontinuous diffusion coefficients occur in application domains such as diffusions through porous media, electro-magnetic field propagation on heterogeneous media, and diffusion…
Space-charge effects play an important role in high intensity particle accelerators and were studied using a variety of macroparticle tracking models. In this paper, we propose a symplectic particle-in-cell (PIC) model and compare this…
Cracking Elements Method (CEM) is a numerical tool to simulate quasi-brittle fractures, which does not need remeshing, nodal enrichment, or complicated crack tracking strategy. The cracking elements used in the CEM can be considered as a…
Geometric particle-in-cell discretizations have been derived based on a discretization of the fields that is conforming with the de Rham structure of the Maxwell's equation and a standard particle-in-cell ansatz for the fields by deriving…
Non-linearities play an important role in micro- and nano- electromechanical system (MEMS and NEMS) design. In common electrostatic and magnetic actuators, the forces and voltages can depend in a non-linear way on position, charge, current…
This article introduces a novel approach for broken-FEEC (Finite Element Exterior Calculus), extending its application to locally refined spline spaces with non-matching interfaces. Traditional broken-FEEC allows for discontinuous…
In this paper, we construct a semi-implicit finite difference method for the time dependent Poisson-Nernst-Planck system. Although the Poisson-Nernst-Planck system is a nonlinear system, the numerical method presented in this paper only…
Kinetic Particle In Cell (PIC) methods can extend greatly their range of applicability if implicit time differencing and spatial adaption are used to address the wide range of time and length scales typical of plasmas. For implicit…
Classical molecular dynamics simulations have recently become a standard tool for the study of electrochemical systems. State-of-the-art approaches represent the electrodes as perfect conductors, modelling their responses to the charge…
When the Debye length is not resolved in a simulation using the most common particle-in-cell (PIC) algorithm, the plasma will unphysically heat until the Debye length becomes resolved via a phenomenon known as grid heating. This article…
Present day electromagnetic field calculations have limitations that are due to techniques employing edge-based discretization methods. While these vector finite element methods solve the issues of tangential continuity of fields and the…
There are many interesting physical processes which involve the generation of high density plasmas in large volumes. However, when modeling these systems numerically, the large densities and volumes present a significant computational…
A technique is presented for the design of printed unit cells in aperiodic metasurface environments. The method begins with a solved matrix equation governing electromagnetic scattering from a homogenized metasurface design. The matrix…
Structure-preserving methods can be derived for the Vlasov-Maxwell system from a discretisation of the Poisson bracket with compatible finite-elements for the fields and a particle representation of the distribution function. These…