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In this paper, gradient-based optimization methods are combined with finite-element modeling for improving electric devices. Geometric design parameters are considered by affine decomposition of the geometry or by the design element…

We present results from a fully kinetic particle-in-cell (PIC) simulation of direct current magnetron sputtering (dcMS) in a 2D cylindrically symmetric geometry. The particle-in-cell model assumes an electrostatic approximation and includes…

This article considers non-relativistic charged particle dynamics in both static and non-static electromagnetic fields, which are governed by nonseparable, possibly time-dependent Hamiltonians. For the first time, explicit symplectic…

Numerical Analysis · Mathematics 2016-11-23 Molei Tao

An exact arithmetic, memory efficient direct solution method for finite element method (FEM) computations is outlined. Unlike conventional black-box or low-rank direct solvers that are opaque to the underlying physical problem, the proposed…

Computational Engineering, Finance, and Science · Computer Science 2020-02-13 Javad Moshfegh , Marinos N. Vouvakis

Efficient exploitation of exascale architectures requires rethinking of the numerical algorithms used in many large-scale applications. These architectures favor algorithms that expose ultra fine-grain parallelism and maximize the ratio of…

This article presents a high order conservative flux optimization (CFO) finite element method for the elliptic diffusion equations. The numerical scheme is based on the classical Galerkin finite element method enhanced by a flux…

Numerical Analysis · Mathematics 2019-11-13 Yujie Liu , Yue Feng , Ran Zhang

A multiscale QM/classical approach is presented, that is able to model the optical properties of complex nanostructures composed of a molecular system adsorbed on metal nanoparticles. The latter are described by a combined…

Chemical Physics · Physics 2024-10-29 Pablo Grobas Illobre , Piero Lafiosca , Luca Bonatti , Tommaso Giovannini , Chiara Cappelli

We present a novel class of high-order space-time finite element schemes for the Poisson-Nernst-Planck (PNP) equations. We prove that our schemes are mass conservative, positivity preserving, and unconditionally energy stable for any order…

Numerical Analysis · Mathematics 2022-05-25 Guosheng Fu , Zhiliang Xu

We present a new third-order, semi-discrete, central method for approximating solutions to multi-dimensional systems of hyperbolic conservation laws, convection-diffusion equations, and related problems. Our method is a high-order extension…

Numerical Analysis · Mathematics 2025-10-20 Alexander Kurganov , Doron Levy

The paper studies several approaches to numerical integration over a domain defined implicitly by an indicator function such as the level set function. The integration methods are based on subdivision, moment--fitting, local…

Numerical Analysis · Mathematics 2016-01-26 Maxim Olshanskii , Danil Safin

This article describes a method devised for efficient evaluation of arbitrary static magnetic and electric fields in a source free region needed for long time tracking of charged particles. Field values given on the boundary of the region…

Accelerator Physics · Physics 2019-09-27 Lajos Bojtar

Magneto-hydrodynamics is one of the foremost models in plasma physics with applications in inertial confinement fusion, astrophysics and elsewhere. Advanced numerical methods are needed to get an insight into the complex physical phenomena.…

Computational Physics · Physics 2022-03-29 Jan Nikl , Milan Kuchařík , Stefan Weber

Over the past decade, Finite Element Method (FEM) has served as a foundational numerical framework for approximating the terms of Time Series Expansion (TSE) as solutions to transient Partial Differential Equation (PDE). However, the…

Numerical Analysis · Mathematics 2024-09-04 Ahmad Deeb , Denys Dutykh

We consider a class of finite element approximations for fourth-order parabolic equations that can be written as a system of second-order equations by introducing an auxiliary variable. In our approach, we first solve a variational problem…

Numerical Analysis · Mathematics 2021-06-30 Sana Keita , Abdelaziz Beljadid , Yves Bourgault

The finite-element method is a preferred numerical method when electromagnetic fields at high accuracy are to be computed in nano-optics design. Here, we demonstrate a finite-element method using hp-adaptivity on tetrahedral meshes for…

The stability, robustness, accuracy, and efficiency of space-time finite element methods crucially depend on the choice of approximation spaces for test and trial functions. This is especially true for high-order, mixed finite element…

Numerical Analysis · Mathematics 2023-08-15 Nilima Nigam , David M. Williams

We construct an efficient class of increasingly high-order (up to 17th-order) essentially non-oscillatory schemes with multi-resolution (ENO-MR) for solving hyperbolic conservation laws. The candidate stencils for constructing ENO-MR…

Numerical Analysis · Mathematics 2023-11-28 Hua Shen

In the present work, we investigate the computational efficiency afforded by higher-order finite-element discretization of the saddle-point formulation of orbital-free density functional theory. We first investigate the robustness of viable…

Computational Physics · Physics 2015-05-30 Phani Motamarri , Mrinal Iyer , Jaroslaw Knap , Vikram Gavini

Quantum embedding schemes have the potential to significantly reduce the computational cost of first principles calculations, whilst maintaining accuracy, particularly for calculations of electronic excitations in complex systems. In this…

Materials Science · Physics 2022-03-10 Joseph C. A. Prentice

We present a multiscale mixed finite element method for solving second order elliptic equations with general $L^{\infty}$-coefficients arising from flow in highly heterogeneous porous media. Our approach is based on a multiscale spectral…

Numerical Analysis · Mathematics 2024-04-05 Christian Alber , Chupeng Ma , Robert Scheichl