The lattice Boltzmann method (LBM) has recently become an alternative and promising computational fluid dynamics approach for simulating complex fluid flows. Despite its enormous success in many practical applications, the standard LBM is restricted to the lattice uniformity in the physical space. This is the main drawback of the standard LBM for flow problems with complex geometry. Several app...

Computer molecular dynamics simulations of a two-dimensional B = 13 bicrystai, interact@ through a Cennard-Janes potential, have been performed. Grain boundary phase equilibria were studied through the temperature dependence of the bicrystal enthalpy. Two phenomena were studied: a transition to a liquid-like layer at approximately 80% of the bulk melting point, and a reorientation of the grain ...

I derive the equation of motion in molecular dynamics for doing full lattice QCD simulations with clover quarks. The even-odd preconditioning technique, expected to significantly reduce the computational effort, is further developed for the simulations.

Two methods for predicting phonon frequencies and relaxation times are presented. The first is based on quasiharmonic and anharmonic lattice dynamics calculations, and the second is based on a combination of quasiharmonic lattice dynamics calculations and molecular dynamics simulations. These phonon properties are then used with the Boltzmann transport equation under the relaxation-time approxi...