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The solubility of helium in liquid metals is a knowledge of fundamental importance in the design of the future nuclear fusion reactors, since the formation of helium bubbles inside the breeding blankets of the reactors can be a threat to…
We study the formation of disks via the cooling flow of gas within galactic haloes using smoothed particle hydrodynamics simulations. These simulations resolve mass scales of a few thousand solar masses in the gas component for the first…
We present a molecular dynamics simulation method for the computation of the solubility of organic crystals in solution. The solubility is calculated based on the equilibrium free energy difference between the solvated solute and its…
We present a numerical study of the structural correlations associated to gas adsorption/desorption in silica aerogels in order to provide a theoretical interpretation of scattering experiments. Following our earlier work, we use a…
We study how a strong gravity affects the equation of state of matters. For this purpose, we employ a canonical ensemble of classical monoatomic ideal gas inside a box in a Rindler spacetime. The total energy decreases monotonically with…
We introduce a new quantity to probe the glass transition. This quantity is a linear generalized compressibility which depends solely on the positions of the particles. We have performed a molecular dynamics simulation on a glass forming…
Accurate computer simulations of the rotational dynamics of linear molecules solvated in He clusters indicate that the large-size (nano-droplet) regime is attained quickly for light rotors (HCN, CO) and slowly for heavy ones (OCS, N$_2$O,…
The thermodynamic properties of nuclei are studied in a mean field model using a Skryme interaction. Properties of two component systems are investigated over the complete range of proton fraction from a system of pure neutrons to a system…
The applicability of the Principle of Corresponding States (PCS) for the noble fluids is discussed. We give the thermodynamic evidences for the dimerization of the liquid phase in heavy noble gases like argon, krypton etc. which manifest…
We use a three dimensional hydrodynamical code to simulate the effect of energy injection on cooling flows in the intracluster medium. Specifically, we compare a simulation of a 10$^{15}$ $M_\odot$ cluster with radiative cooling only, with…
Previous research has indicated the possible existence of a liquid-liquid critical point (LLCP) in models of silica at high pressure. To clarify this interesting question we run extended molecular dynamics simulations of two different…
The strong dependence of the intensity of single bubble sonoluminescence (SBSL) on water temperature observed in experiment can be accounted for by the temperature dependence of the material constants of water, most essentially of the…
Feedback from massive stars is one of the least understood aspects of galaxy formation. We perform a suite of vertically stratified local interstellar medium (ISM) simulations in which supernova rates and vertical gas column densities are…
Direct simulations of phase-change and phase-ordering phenomena are becoming more common. Recently qualitative simulations of boiling phenomena have been undertaken by a large number of research groups. One seldom discussed limitations is…
We combine molecular dynamics simulations with experiments to estimate solubilities of organic salts in complex growth environments. We predict the solubility by simulations of the growth and dissolution of ions at the crystal surface kink…
Although molecular dynamics (MD) simulations are commonly used to predict the structure and properties of glasses, they are intrinsically limited to short time scales, necessitating the use of fast cooling rates. It is therefore challenging…
We present a set of cluster models that link the present-day properties of clusters to the processes that govern galaxy formation. These models treat the entropy distribution of the intracluster medium as its most fundamental property.…
A study of the reinforcement effect of a soft polymer matrix by hard nanometric filler particles is presented. In the main part of this article, the structure of the silica filler in the matrix is studied by Small Angle Neutron Scattering…
We present the results of a large scale molecular dynamics computer simulation in which we investigated the static and dynamic properties of a silica melt in the temperature range in which the viscosity of the system changes from O(10^-2)…
Most helix-coil transition theories can be characterized by a set of three parameters: energetic, describing the (free) energy cost of forming a helical state in one repeating unit; entropic, accounting for the decrease of entropy due to…