Fast parallel algorithms for short-range molecular dynamics
Journal of Computational Physics
An adaptive version of the immersed boundary method
Journal of Computational Physics
An immersed boundary method with formal second-order accuracy and reduced numerical viscosity
Journal of Computational Physics
Hi-index | 31.45 |
We propose a new method for coupling both point and composite MD particles to a lattice-Boltzmann fluid. This coupling is implemented through the use of conservative forces, calculated by assuming elastic collisions between the particles and the fluid, thereby eliminating the need for any adjustable coupling constants. With the implementation of a mass and momentum conserving thermal lattice-Boltzmann method, the fluid acts as a heat bath for the MD particles without the need for external Langevin noise. We demonstrate the effectiveness of this method using a variety of simple, well known flow problems. In addition, by studying the velocity autocorrelation function, we are able to validate the fluctuation-dissipation theorem for the algorithm.