Fluid phase interface dynamics of coupled Lattice Boltzmann and molecular dynamics simulations*

Lattice-Boltzmann (LB) simulations have been used extensively over the past several decades in the study of hydrodynamics. LB methods have been coupled with various molecular dynamics (MD) methods to better simulate complex fluids, phase transitions, and their behavior at interfaces. Using a modified Lattice Boltzmann method package from the Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS), we attempt to couple colloidal particles and the LB fluid under critical conditions to study the particle dynamics at the liquid-gas interface. This work is preliminary to studying interfacial behaviour of complex fluid suspensions in LAMMPS, such as that of a liquid crystal (LC) colloid suspension, where distinct defect patterns are known to emerge at the LC-gas interface at equilibrium. We expect these defects to disturb the uniformity of colloidal suspensions.