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We present a new adaptive resolution technique for efficient particle-based multiscale molecular dynamics (MD) simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially…

Soft Condensed Matter · Physics 2007-05-23 Matej Praprotnik , Luigi Delle Site , Kurt Kremer

Partially observable Markov decision processes (POMDPs) provide an elegant mathematical framework for modeling complex decision and planning problems in stochastic domains in which states of the system are observable only indirectly, via a…

Artificial Intelligence · Computer Science 2011-06-02 M. Hauskrecht

This paper presents a numerical study of flow through static random assemblies of monodisperse, spherical particles. A lattice Boltzmann approach based on a two relaxation time collision operator is used to obtain reliable predictions of…

Fluid Dynamics · Physics 2014-10-08 Simon Bogner , Swati Mohanty , Ulrich Rüde

We study the numerical behaviour of a particle method for gradient flows involving linear and nonlinear diffusion. This method relies on the discretisation of the energy via non-overlapping balls centred at the particles. The resulting…

Analysis of PDEs · Mathematics 2016-12-07 J. A. Carrillo , Y. Huang , F. S. Patacchini , G. Wolansky

Computational fluid dynamics and aerodynamics, which complement more expensive empirical approaches, are critical for developing aerospace vehicles. During the past three decades, computational aerodynamics capability has improved…

Boiling is a complex phenomenon where different non-linear physical interactions take place and for which the quantitative modeling of the mechanism involved is not fully developed yet. In the last years, many works have been published…

Fluid Dynamics · Physics 2022-05-23 Alfredo Jaramillo , Vinícius Pessoa Mapelli , Luben Cabezas-Gómez

We develop a novel Hybrid High-Order method for the simulation of Darcy flows in fractured porous media. The discretization hinges on a mixed formulation in the bulk region and on a primal formulation inside the fracture. Salient features…

Numerical Analysis · Mathematics 2017-12-01 Florent Chave , Daniele Di Pietro , Luca Formaggia

The deformation of an initially spherical capsule, freely suspended in simple shear flow, can be computed analytically in the limit of small deformations [D. Barthes-Biesel, J. M. Rallison, The Time-Dependent Deformation of a Capsule Freely…

Soft Condensed Matter · Physics 2010-08-10 Timm Krüger , Fathollah Varnik , Dierk Raabe

This paper presents a data-driven finite volume method for solving 1D and 2D hyperbolic partial differential equations. This work builds upon the prior research incorporating a data-driven finite-difference approximation of smooth solutions…

Numerical Analysis · Mathematics 2025-02-25 Guillaume de Romémont , Florent Renac , Jorge Nunez , Francisco Chinesta

This paper extends the model reduction method by the operator projection to the one-dimensional special relativistic Boltzmann equation. The derivation of arbitrary order globally hyperbolic moment system is built on our careful study of…

Analysis of PDEs · Mathematics 2017-04-26 Yangyu Kuang , Huazhong Tang

We present a new high-order finite volume reconstruction method for hyperbolic conservation laws. The method is based on a piecewise cubic polynomial which provides its solutions a fifth-order accuracy in space. The spatially reconstructed…

Computational Physics · Physics 2017-05-24 Dongwook Lee , Hugues Faller , Adam Reyes

The direct numerical simulation of particulate systems offers a unique approach to study the dynamics of fluid-solid suspensions by fully resolving the submerged particles and without introducing empirical models. For the lattice Boltzmann…

Computational Engineering, Finance, and Science · Computer Science 2017-06-06 Christoph Rettinger , Ulrich Rüde

We construct high order symmetric volume-preserving methods for the relativistic dynamics of a charged particle by the splitting technique with processing. Via expanding the phase space to include time $t$, we give a more general…

Computational Physics · Physics 2016-10-12 Yang He , Yajuan Sun , Ruili Zhang , Yulei Wang , Jian Liu , Hong Qin

We explore a novel simulation route for Plasma Wakefield Acceleration (PWFA) by using the computational method known as the Lattice Boltzmann Method (LBM). LBM is based on a discretization of the continuum kinetic theory while assuring the…

The article describes parallel multiphysics simulations of charged particles in microfluidic flows with the waLBerla framework. To this end, three physical effects are coupled: rigid body dynamics, fluid flow modelled by a lattice Boltzmann…

Computational Engineering, Finance, and Science · Computer Science 2014-10-27 Dominik Bartuschat , Ulrich Rüde

This paper formulates a new particle-in-cell method for the Vlasov-Maxwell system. Under the Lorenz gauge condition, Maxwell's equations for the electromagnetic fields can be written as a collection of scalar and vector wave equations. The…

Plasma Physics · Physics 2024-01-18 Andrew J. Christlieb , William A. Sands , Stephen White

We present a free energy lattice Boltzmann model capable of simulating fluid systems with an arbitrary number of immiscible components in principle. Our method is strictly reduction consistent, ensuring that absent fluid components do not…

A new Lagrangian particle method for solving Euler equations for compressible inviscid fluid or gas flows is proposed. Similar to smoothed particle hydrodynamics (SPH), the method represents fluid cells with Lagrangian particles and is…

Numerical Analysis · Mathematics 2016-03-21 Hsin-Chiang Chen , Roman Samulyak , Wei Li

A type of discrete Boltzmann model for simulating shallow water flows is derived by using the Hermite expansion approach. Through analytical analysis, we study the impact of truncating distribution function and discretizing particle…

Fluid Dynamics · Physics 2018-07-16 Jianping Meng , Xiao-Jun Gu , David R Emerson , Yong Peng , Jianmin Zhang

We consider a model where particles are described as localized concentrations of energy, with fixed rest mass and structure, which are not significantly affected by their self-induced gravitational field. We show that the volume average of…

General Relativity and Quantum Cosmology · Physics 2018-03-28 P. P. Avelino , L. Sousa
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