Related papers: Noble gases in high-pressure silicate liquids: A c…
Vaporization of liquid droplets containing particles has been studied extensively for its applications in combustion, thermal coating, ink-jet printing, spray cooling, drug delivery, and surface patterning. Droplets containing solid…
We study the settling of suspensions of relatively large particles with a diameter of the order of ten Kolmogorov scales and density slightly larger than the carrier fluid in statistically steady homogeneous isotropic turbulence. The…
The solubility of a "heavy" alkane (solute) in a "light" alkane (solvent) is generally temperature dependent. Moreover, it is determined by the molar masses of the solute and solvent. In the current paper, published solubility data for…
We present computer simulations of a simple bead-spring model for polymer melts with intramolecular barriers. By systematically tuning the strength of the barriers, we investigate their role on the glass transition. Dynamic observables are…
The collapse kinetics of strongly charged polyelectrolytes in poor solvents is investigated by Langevin simulations and scaling arguments. The rate of collapse increases sharply as the valence of counterions, z, increases from one to four.…
The study of cavity flow is one of the most important research topics of unsteady aerodynamics. Supersonic turbulent flows over a cavity are mostly encountered in missiles, turbomachinery, and high-speed aircraft. The turbulence inside the…
Numerical simulations of galaxy formation require a number of parameters. Some of these are intrinsic to the numerical integration scheme (eg the timestep), while others describe the physical model (eg the gas metallicity). In this paper,…
We report here a molecular dynamics simulation study on water and aqueous LiCl solutions confined in 1.6 nm cylindrical pores of silica to investigate a dynamical cross-over, observed earlier experimentally, wherein LiCl slows down confined…
Forming macroscopic solid bodies in circumstellar discs requires local dust concentration levels significantly higher than the mean. Interactions of the dust particles with the gas must serve to augment local particle densities, and…
The noble elements constitute the simplest group of atoms. At low temperatures or high pressures they freeze into the face-centered cubic (fcc) crystal structure (except helium). We perform molecular dynamics using the recently proposed…
Using a hydrodynamic adaptive mesh refinement code, we simulate the growth and evolution of a galaxy, which could potentially host a supermassive black hole, within a cosmological volume. Reaching a dynamical range in excess of 10 million,…
We study the formation of a colloidal gel by means of Molecular Dynamics simulations of a model for colloidal suspensions. A slowing down with gel-like features is observed at low temperatures and low volume fractions, due to the formation…
We model the intracluster medium as a weakly collisional plasma that is a binary mixture of the hydrogen and the helium ions, along with free electrons. When, owing to the helium sedimentation, the gradient of the mean molecular weight (or…
Large scale molecular dynamics and grand canonical Monte Carlo simulation techniques are used to study the behavior of the interdiffusion of a solvent into an entangled polymer matrix as the state of the polymer changes from a melt to a…
Second order perturbation solutions of profiles of bubbles suspended in liquid and liquid gas interfaces when liquid all sinks in the bottom under different accelerations are derived. Six procedures are developed based on these solutions,…
Gas cooling and heating rates are vital components of hydrodynamic simulations. However, they are computationally expensive to evaluate exactly with chemical networks or photoionization codes. We compare two different approximation schemes…
While sub-mm melt droplets should rapidly lose alkali elements in a vacuum at liquidus temperatures, chondrules are only modestly depleted in them (by less than one order of magnitude). The detection of sodium in olivine cores has…
Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…
The dissolution or growth of a droplet in a host liquid is an important part for processes like chemical extraction, chromatography or emulsification. In this work we look at the dissolution of a pair of vertically aligned droplets immersed…
The structural and dynamical properties of four silicate liquids (silica, rhyolite, a model basalt and enstatite) are evaluated by ab initio molecular dynamics simulation using the density functional theory and are compared with classical…