RMPCDMD: Simulations of colloids with coarse-grained hydrodynamics, chemical reactions and external fields
| Autor: | Laurens Deprez, Mu-Jie Huang, Pierre de Buyl |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2016 |
| Předmět: |
Computer science
Fortran FOS: Physical sciences Thermal fluctuations Nanomotors Library and Information Sciences Condensed Matter - Soft Condensed Matter Molecular Dynamics 01 natural sciences Chemical reaction 010305 fluids & plasmas Molecular dynamics Colloid Collision dynamics 0103 physical sciences Thermal Colloids 010306 general physics Physics Chemical Physics computer.programming_language lcsh:Computer software Hydrodynamics Python Mechanics Computational Physics (physics.comp-ph) Coupling (physics) lcsh:QA76.75-76.765 Soft Condensed Matter (cond-mat.soft) computer Physics - Computational Physics Software Information Systems |
| Zdroj: | Journal of Open Research Software, Vol 5, Iss 1 (2017) Journal of Open Research Software; Vol 5, No 1 (2017); 3 |
| ISSN: | 2049-9647 |
| Popis: | The RMPCDMD software package performs hybrid Molecular Dynamics simulations, coupling Multiparticle Collision Dynamics to model the solvent and Molecular Dynamics to model suspended colloids, including hydrodynamics, thermal fluctuations, and chemically active solvent particles and catalytic colloids. The main usage of RMPCDMD is the simulation of chemically powered nanomotors, but other setups are considered: colloids in the presence of a thermal gradients or forced flows. RMPCDMD is developed in Fortran 2008 with OpenMP for multithreaded operation and uses the HDF5-based H5MD file format for storing data. RMPCDMD comes with documentation and a tutorial for the simulation of chemically powered nanomotors. 7 pages |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|