-- Nonequilibrium processes in fluids and solids, primarily in the areas
of shock waves, defects in solids, mechanisms of plastic flow in solids
and viscous flow in fluids,
material failure (including
fracture), friction (tribology), and transport phenomena; theories of microscopic
(atomistic) mechanisms of phase transitions and energy flow in shock waves
and detonations; application of
molecular dynamics
and
continuum mechanics computer simulations to materials behavior under extreme
conditions; design of materials models (constitutive, failure, and equation
of state) using nonequilibrium statistical mechanics. Large-scale molecular
dynamics is done on massively parallel computers. Particularly in three
dimensions, the length scale for solids can be quite large, necessitating
heroic efforts, as represented by the
SPaSM
("ScalableParallelShort-range Molecular
dynamics") team --- Brad Holian, Peter Lomdahl, Jim Hammerberg,
Tim Germann, and Kai Kadau.