Hydrodynamic forces implemented into LAMMPS through a lattice-Boltzmann fluid

DOI10.1016/J.CPC.2013.03.024MaRDI QIDQ310316zbMATH OpenOpenAlexFDO

Authors F. E. Mackay, Santtu T. T. Ollila, Colin Denniston

Publication date 8 September 2016

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cpc.2013.03.024

zbMATH Keywords

hydrodynamicsmolecular dynamicslattice-Boltzmann algorithm

Mathematics Subject Classification ID

Particle methods and lattice-gas methods (76M28) Software, source code, etc. for problems pertaining to fluid mechanics (76-04)

Recommendations

• LAMMPS lb/fluid fix version 2: improved hydrodynamic forces implemented into LAMMPS through a lattice-Boltzmann fluid
• Smoothed dissipative particle dynamics package for LAMMPS
• Fluctuating hydrodynamics methods for dynamic coarse-grained implicit-solvent simulations in LAMMPS
• Coupling MD particles to a lattice-Boltzmann fluid through the use of conservative forces
• Lattice Molecular Dynamics

Cites work

• A Model for Collision Processes in Gases. I. Small Amplitude Processes in Charged and Neutral One-Component Systems
• An adaptive version of the immersed boundary method
• An immersed boundary method with formal second-order accuracy and reduced numerical viscosity
• Calculation of the Ewald summed far-field mobility functions for arbitrarily sized spherical particles in Stokes flow
• Compressibility effects in the hydrodynamic theory of Brownian motion
• Coupling MD particles to a lattice-Boltzmann fluid through the use of conservative forces
• Fast parallel algorithms for short-range molecular dynamics
• Inertial migration of rigid spheres in two-dimensional unidirectional flows
• LATTICE BOLTZMANN METHOD FOR FLUID FLOWS
• Stokes flow for a stokeslet between two parallel flat plates
• The hydrodynamic radius of particles in the hybrid lattice Boltzmann-molecular dynamics method
• The immersed boundary method
• The lattice Boltzmann equation. For fluid dynamics and beyond

Cited in

(14)

• Implementation of dynamic coupling in hybrid molecular dynamics-lattice Boltzmann approach: modeling aggregation of amphiphiles
• Computational modeling of magnetic particle margination within blood flow through LAMMPS
• An inverse design analysis of mesoscopic implementation of non-uniform forcing in MRT lattice Boltzmann models
• OpenFSI: a highly efficient and portable fluid-structure simulation package based on immersed-boundary method
• Force method in a pseudo-potential lattice Boltzmann model
• Implementation of a ternary lattice Boltzmann model in LAMMPS
• LAMMPS lb/fluid fix version 2: improved hydrodynamic forces implemented into LAMMPS through a lattice-Boltzmann fluid
• Precise calculation of the local pressure tensor in Cartesian and spherical coordinates in LAMMPS
• Multiscale Hybrid Modeling of Proteins in Solvent: SARS-CoV2 Spike Protein as Test Case for Lattice Boltzmann – All Atom Molecular Dynamics Coupling
• Fluctuating hydrodynamics methods for dynamic coarse-grained implicit-solvent simulations in LAMMPS
• First- and second-order forcing expansions in a lattice Boltzmann method reproducing isothermal hydrodynamics in artificial compressibility form
• Coupling MD particles to a lattice-Boltzmann fluid through the use of conservative forces
• LAMMPS -- a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
• Interplay of deformability and adhesion on localization of elastic micro-particles in blood flow

Describes a project that uses

Uses Software

• LAMMPS

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