NOTE: All of these pictures were generated using MDAG initialization tools and opendx software.
MDAG initialization of a thin film material (light blue) between two bulk solids (green and dark blue). All three zones were initialized using box-shaped regions with differing molecular colors and lattice types.
MDAG initialization of a hydrocarbon molecule in a water bath. Hydrocarbon is shaped into a fcc water lattice. The cutoff distance for removal of water molecules is 0.10 nm.
MDAG initialization of two nanoclusters in a diatomic nitrogen bath. Nitrogen is initialized in a simple cubic lattice. Clusters initialized using sphere-shaped zones.
MDAG initialization of a nanoprinting process. Initialization uses a box-shaped zone of fcc molecules for the substrate and three box-shaped zones of simple cubic molecules for the tool.
MDAG initialization of a single graphene sheet. Simulations were carried
out on graphene to determine the dependence of sheet dimensions and ensemble
formulation on predicted thermal conductivity.
MDAG simulation of the aftermath of a nanodroplet
impingement upon a solid surface. We uncovered novel thermophysical
phenomena associated with the nanodroplet impingement process.
MDAG modeling of a folded graphene nanoribbon (GNR) for thermal conductivity
prediction. The equilibrium radius of curvature of the GNR is dependent
upon the initialized crease angle.
