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An accurate and easily extendable method to deal with lattice dynamics of solids is offered. It is based on first-principles molecular dynamics simulations and provides a consistent way to extract the best possible harmonic - or higher…

Materials Science · Physics 2013-10-14 Olle Hellman , I. A. Abrikosov , S. I. Simak

A conventional study of fluid simulation involves different stages including conception, simulation, visualization, and analysis tasks. It is, therefore, necessary to switch between different software and interactive contexts which implies…

Computational Engineering, Finance, and Science · Computer Science 2021-10-22 Mengchen Wang , Nicolas Férey , Frédéric Magoulès , Patrick Bourdot

The performance of a single or the collection of microswimmers strongly depends on the hydrodynamic coupling among their constituents and themselves. We present a numerical study for a single and a pair of microswimmers based on lattice…

Soft Condensed Matter · Physics 2023-03-15 D. Geyer , S. Ziegler , A. Sukhov , M. Hubert , A. -S. Smith , O. Aouane , P. Malgaretti , J. Harting

A volumetric lattice Boltzmann (LB) method is developed for the particle-resolved direct numerical simulation of thermal particulate flows with conjugate heat transfer. This method is devised as a single-domain approach by applying the…

Computational Physics · Physics 2024-11-01 Xiaojie Zhang , Donglei Wang , Qing Li , Rongzong Huang

We introduce a lattice gas implementation that is based on coarse-graining a Molecular Dynamics (MD) simulation. Such a lattice gas is similar to standard lattice gases, but its collision operator is informed by an underlying MD simulation.…

Computational Physics · Physics 2017-09-13 M. Reza Parsa , Alexander J. Wagner

The numerical simulation of multiphase flows involving dispersed components with large scale disparities, such as the collisions between millimeter-sized bubbles and micron-sized mineral particles in flotation, poses a significant…

Fluid Dynamics · Physics 2026-05-21 Linfeng Jiang , Enrico Calzavarini , Dominik Krug

The lattice Boltzmann method (LBM) is routinely employed in the simulation of complex multiphase flows comprising bulk phases separated by non-ideal interfaces. LBM is intrinsically mesoscale with an hydro-dynamic equivalence popularly set…

Computational Physics · Physics 2019-05-24 Daniele Chiappini , Xiao Xue , Mauro Sbragaglia , Giacomo Falcucci

An algorithm is proposed to implement unsteady jump boundary conditions, presenting discontinuity in physical quantities, within the lattice Boltzmann method (LBM). This is useful to tackle problems involving mass or heat transfer through…

Computational Physics · Physics 2018-11-06 Badr Kaoui

In this paper we study the realization of lattice models in mixtures of atomic and dipolar molecular quantum gases. We consider a situation where polar molecules form a self-assembled dipolar lattice, in which atoms or molecules of a second…

Other Condensed Matter · Physics 2015-05-13 M. Ortner , A. Micheli , G. Pupillo , P. Zoller

It is well known that the number of particles should be scaled up to enable industrial scale simulation. The calculations are more computationally intensive when the motion of the surrounding fluid is considered. Besides the advances in…

Computational Physics · Physics 2014-07-28 Hao Zhang , F. Xavier Trias , Assensi Oliva , Dongmin Yang , Yuanqiang Tan , Shi Shu , Yong Sheng

We consider the mass heterogeneity in a gas of polydisperse hard particles as a key to optimizing a dynamical property: the kinetic relaxation rate. Using the framework of the Boltzmann equation, we study the long time approach of a…

Soft Condensed Matter · Physics 2015-06-17 Matthieu Barbier , Emmanuel Trizac

The Lattice Boltzmann method has been gaining acceptance for hydrodynamic problems involving complex boundaries, non-equilibrium dynamics and interfacial phenomena in multiphase or multicomponent systems. lb2d.pm is a Perl module offering a…

Fluid Dynamics · Physics 2014-02-04 Danilo Sergi

We formulate theoretical modeling approaches and develop practical computational simulation methods for investigating the non-equilibrium statistical mechanics of fluid interfaces with passive and active immersed particles. Our approaches…

Soft Condensed Matter · Physics 2024-10-03 Dev Jasuja , Paul J. Atzberger

The free energy model can extend the Lattice Boltzmann method to multiphase systems. However, there is a lack of models capable of simulating multicomponent multiphase fluids with partial miscibility. In addition, existing models cannot be…

Fluid Dynamics · Physics 2023-01-19 Muzammil Soomro , Luis F. Ayala , Cheng Peng , Orlando M. Ayala

The simulation of morphogenetic problems requires the simultaneous and coupled simulation of signalling and tissue dynamics. A cellular resolution of the tissue domain is important to adequately describe the impact of cell-based events,…

Quantitative Methods · Quantitative Biology 2015-03-29 Simon Tanaka , David Sichau , Dagmar Iber

We discuss the Lattice Boltzmann-Particle Dynamics (LBPD) multiscale paradigm for the simulation of complex states of flowing matter at the interface between Physics, Chemistry and Biology. In particular, we describe current large-scale…

Computational Physics · Physics 2019-06-05 Massimo Bernaschi , Simone Melchionna , Sauro Succi

In this study, we propose an alternative way to simulate particle suspensions using the lattice Boltzmann method. The main idea is to impose the non-slip boundary condition in the lattice sites located on the particle boundaries. The focus…

Computational Physics · Physics 2011-05-17 Luís Orlando Emerich dos Santos , Paulo Cesar Philippi

We derive the partial differential equation (PDE) to which the pseudo-potential lattice Boltzmann method (P-LBM) converges under diffusive scaling, providing a rigorous basis for its consistency analysis. By establishing a direct link…

We develop a Monte Carlo wave function algorithm for the quantum linear Boltzmann equation, a Markovian master equation describing the quantum motion of a test particle interacting with the particles of an environmental background gas. The…

Quantum Physics · Physics 2010-09-28 Marc Busse , Piotr Pietrulewicz , Heinz-Peter Breuer , Klaus Hornberger

Most biological fluids are viscoelastic, meaning that they have elastic properties in addition to the dissipative properties found in Newtonian fluids. Computational models can help us understand viscoelastic flow, but are often limited in…

Fluid Dynamics · Physics 2021-03-25 Michael Kuron , Cameron Stewart , Joost de Graaf , Christian Holm