Related papers: Amorphous silica between confining walls and under…
We examine, using molecular dynamics simulation, the structure and thermodynamics of the (100) and (111) disordered face-centered cubic (FCC) crystal/melt interfaces for a binary hard-sphere system. This study is an extension of our…
Molecular dynamics simulations are carried out to investigate the dynamic behavior of the slip length in thin polymer films confined between atomically smooth thermal surfaces. For weak wall-fluid interactions, the shear rate dependence of…
In this work, we study the stationary behavior of an assembly of independent chiral active particles under confinement by employing an extension of the active Ornstein-Uhlenbeck model. The chirality modeled by means of an effective torque…
We present a large-scale molecular dynamics study of nematic-paranematic interfaces under shear. We use a model of soft repulsive ellipsoidal particles with well-known equilibrium properties, and consider interfaces which are oriented…
Shear viscosity and wall slip of dense suspensions of a silicone polymer incorporated with polydisperse particles were investigated. Three types of particles with low aspect ratios were used to achieve a relatively high maximum packing…
The slip phenomena in thin polymer films confined by either flat or periodically corrugated surfaces are investigated by molecular dynamics and continuum simulations. For atomically flat surfaces and weak wall-fluid interactions, the shear…
In the present study, we conduct direct numerical simulations to investigate the near-wall dynamics of compressible turbulent boundary layers at the free-stream Mach number of 6 laden with heavy particles. By inspecting the instantaneous…
Patchy nanocubes are intriguing materials with simple shapes and space-filling and multidirectional bonding properties. Previous studies have revealed various mesoscopic structures such as colloidal crystals in the solid regime and rod-like…
From understanding the sand on the beach to the foam on your beer, soft sphere simulations have been crucial to the study of the amorphous world around us. However, many of the materials we interact with on a daily basis aren't comprised of…
Molecular dynamics simulations are carried out to investigate the diffusion behavior of penetrable-sphere model fluids characterized by a finite energy barrier $\epsilon$. The self-diffusion coefficient is evaluated from the time-dependent…
Using molecular dynamics (MD) simulation, we investigate the mechanical response of silicon to high dose ion-irradiation. We employ a realistic and efficient model to directly simulate ion beam induced amorphization. Structural properties…
The air entrainment due to the turbulence in a free surface boundary layer shear flow created by a horizontally moving vertical surface-piercing wall is studied through experiments and direct numerical simulations. In the experiments, a…
We study theoretically the viscoelastic properties of sheared binary fluids that have strong dynamical asymmetry between the two components. The dynamical asymmetry arises due to asymmetry between the viscoelastic stresses, particularly the…
We investigate avalanches associated with plastic rearrangements and the nature of structural change in the prototypical strong glass, silica, computationally. Although qualitative aspects of yielding in silica are similar to other glasses,…
The shear rate dependence of the slip length in thin polymer films confined between atomically flat surfaces is investigated by molecular dynamics simulations. The polymer melt is described by the bead-spring model of linear flexible…
The results of a numerical investigation of fluidized beds of spherical particles in a narrow vertical cylindrical pipe, with particular attention to the spontaneous settling along the wall, are reported. Starting from a steady fluidized…
The dynamics of entrainment of finite-size heavy particles in a turbulent open channel flow over a smooth surface are analyzed. Three types of simulations, namely with freely moving, rotation-constrained, and spanwise-motion-constrained…
We have performed molecular dynamics simulations for a model two-dimensional soft-core mixture in a supercooled state. The mixture exhibits a slow structural relaxation in a quiescent state, however, the relaxation is much enhanced in…
Elastic properties and internal states of isotropic sphere packings are studied by numerical simulations. Several numerical protocols to assemble dense configurations are compared. One, which imitates experiments with lubricated contacts,…
While deeply supercooled liquids exhibit divergent viscosity and increasingly heterogeneous dynamics as the temperature drops, their structure shows only seemingly marginal changes. Understanding the nature of relaxation processes in this…