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Biomolecular thermodynamics and spectroscopy depend on relative conformer energies, local curvatures, and collective dipole fluctuations on the potential-energy surface. Conventional molecular mechanics force fields enable large-scale…
Wave phenomena in vibrofluidized dry and partially wet granular materials confined in a quasi-two-dimensional geometry are investigated with numerical simulations considering individual particles as hard spheres. Short ranged cohesive…
The Boltzmann collision operator for a dilute granular gas of inelastic rough hard spheres is much more intricate than its counterpart for inelastic smooth spheres. Now the one-body distribution function depends not only on the…
The effects of particle roughness and short-ranged non-central forces on colloidal gels are studied using computer simulations in which particles experience a sinusoidal variation in energy as they rotate. The number of minima $n$ and…
A simple phenomenological model of a binary granular mixture is developed and investigated numerically. We attempt to model the experimental system of [1,2] where a horizontally vibrated binary monolayer was found to exhibit a transition…
Active matter consists of self-propelled elements exhibits fascinating collective motions ranging from biological to artificial systems. Among wide varieties of active matter systems, reconstituted bio-filaments moving on molecular motor…
A kinetic model for granular mixtures is considered to study three different non-equilibrium situations. The model is based on the equivalence between a gas of elastic hard spheres subjected to a drag force proportional to the particle…
We use three-dimensional particle dynamics simulations, coupled with volume-averaged gas phase hydrodynamics, to study vertically vibrated gas-fluidized beds of fine, cohesive powders. The volume-averaged interstitial gas flow is restricted…
It is well-recognized that granular media under rapid flow conditions can be modeled as a gas of hard spheres with inelastic collisions. At moderate densities, a fundamental basis for the determination of the granular hydrodynamics is…
Steady-state pair correlations between inelastic granular beads in a vertically shaken, quasi two-dimensional cell can be mapped onto the particle correlations in a truly two-dimensional reference fluid in thermodynamic equilibrium. Using…
Granular gaseous mixtures under rapid flow conditions are usually modeled by a multicomponent system of smooth inelastic hard spheres with constant coefficients of normal restitution. In the low density regime an adequate framework is…
Granular materials -- aggregates of many discrete, disconnected solid particles -- are ubiquitous in natural and industrial settings. Predictive models for their behavior have wide ranging applications, e.g. in defense, mining,…
We investigate the spatial dependence of the density of vibrated granular beds, using simulations based on a hybrid Monte Carlo algorithm. We find that the initial consolidation is typically inhmogeneous, both in the presence of a constant…
We study the motion of strongly inelastic particles in a narrow vibrating tube using molecular dynamics simulation. At low frequency of the vibration, we observe qualitative changes of the motion, as the depth of the pile increases. The…
We use molecular dynamics simulation results on viscous binary Lennard-Jones mixtures to examine the correlation between the potential energy and the virial. In accord with a recent proposal [U. R. Pedersen et. al. Phys. Rev. Lett. 100,…
We study the two-dimensional (2D) shear flow of amorphous solids within variants of an elastoplastic model, paying particular attention to spatial correlations and time fluctuations of, e.g., local stresses. The model is based on the local…
The velocity distribution of inelastic granular gas is examined numerically on two dimensional hard disk system in nearly elastic regime using molecular dynamical simulations. The system is prepared initially in the equilibrium state with…
The long time dynamics of large particles trapped in two inhomogeneous turbulent shear flows is studied experimentally. Both flows present a common feature, a shear region that separates two colliding circulations, but with different…
Using molecular dynamics simulation we examine dynamics in sheared polycrystal states in a binary mixture containing 10% larger particles in two dimensions. We find large stress fluctuations arising from sliding motions of the particles at…
This work explores the effect of O2 addition on CO2 dissociation and on the vibrational kinetics of CO2 and CO under various non-equilibrium plasma conditions. A self-consistent model, previously validated for pure CO2 discharges, is…