Under many conditions, macroscopic grains flow like a fluid; kinetic theory predicts continuum equations of motion for this granular fluid. In order to test the theory, we perform event-driven molecular simulations of a two-dimensional gas of inelastic hard disks, driven by contact with a heat bath. Even for strong dissipation, high densities, and small numbers of particles, we find that contin...

Molecular theory can be considered as a preliminary to statistical physics. While the latter employs a more sophisticated formalism encompassing quantum-mechanical systems, the former operates with a classical ideal gas. Molecular theory studies the relation between the temperature of the gas and the kinetic energy of the molecules, pressure on the walls due to the impact of the molecules, dist...

Initial condition dependence is the key to understanding the difference between ideal strength and actual strength of both crystalline and amorphous materials. Besides intrinsic structural heterogeneities in metallic glasses (MGs), a class of “extended defects” based on the “connected atomistic free volume” (CAFV) is proposed to define the microstructure (initial condition), which is crucial to...

An isolated mixture of smooth, inelastic hard spheres supports a homogeneous cooling state with different kinetic temperatures for each species. This phenomenon is explored here by molecular dynamics simulation of a two component fluid, with comparison to predictions of the Enskog kinetic theory. The ratio of kinetic temperatures is studied for two values of the restitution coefficient alpha=0....

In order to understand cell metabolism as a system, it is important to formulize its molecular interaction network and to analyze it in the system level. In the postgenomic era, various experimental data such as transcriptome, proteome, and metabolome have accumulated rapidly. Such information is greatly available for constructing a molecular interaction map and simulating its dynamic features....