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The present investigation examines the relationship between structural order, diffusivity anomalies, and density anomalies in liquid silica by means of molecular dynamics simulations. We use previously defined orientational and…
The shear viscosity of liquid cobalt at the pressure $p=1.5$~bar and at the temperatures corresponding to equilibrium liquid and supercooled liquid states is measured experimentally and evaluated by means of molecular dynamics simulations.…
The compressibility of solid helium (3He and 4He) in the hcp and fcc phases has been studied by path-integral Monte Carlo. Simulations were carried out in both canonical (NVT) and isothermal-isobaric (NPT) ensembles at temperatures between…
Direct numerical simulations of free round jets at a Reynolds number ($Re_{D}$) of $5000$, based on jet diameter ($D$) and jet-exit bulk velocity ($U_{e}$), are performed to study jet turbulence characteristics at supercritical pressures.…
We theoretically study the behavior of vesicles filled with a liquid of higher density than the surrounding medium, a technique frequently used in experiments. In the presence of gravity, these vesicles sink to the bottom of the container,…
Sonoluminescence is the phenomena of light emission from a collapsing gas bubble in a liquid. Theoretical explanations of this extreme energy focusing are controversial and difficult to validate experimentally. We propose to use molecular…
A density functional for the lattice gas (Ising model) from fundamental measure theory is applied to the problem of droplet states in three-dimensional, finite systems. Similar to previous simulation studies, the sequence of droplets…
Most hydrodynamical simulations of galaxy cluster formation carried out to date have tried to model the cosmic gas as an ideal, inviscid fluid, where only a small amount of (unwanted) numerical viscosity is present, arising from practical…
Water scarcity has required constant water recycling, leading to a decline in water quality, further exacerbated by high concentrations of fine particles that reduce the efficiency of solid-liquid separation systems. Inclined settlers offer…
Whereas it is experimentally known that the inclusion of nanoparticles in hydrogels can lead to a mechanical reinforcement, a detailed molecular understanding of the adhesion mechanism is still lacking. Here we use coarse-grained molecular…
The self-gravitating gas in the presence of a positive cosmological constant Lambda is studied in thermal equilibrium by Monte Carlo simulations and by the mean field approach. We find excellent agreement between both approaches already for…
Optically levitated nanomechanical resonators in vacuum perform ultrahigh sensitivity for mechanical quantities by overcoming the limitations of clamped resonators. However, the generally levitated silica nanoparticles (NPs) with low…
The rate of melting of a solid and the rate of deformation of the resulting melt due to capillary forces are comparable in additive manufacturing applications. This dynamic structural change of a melting solid is extremely challenging to…
High-purity glasses are used for their low optical and mechanical loss, which makes them an excellent material for oscillators in optical systems, such as inertial sensors. Complex geometries often require the assembly of multiple pieces of…
\textit{In situ} high-pressure Brillouin light scattering experiments along loading-unloading paths are used to investigate the compressibility of vitreous silica. An accurate equation of state is obtained below \SI{9}{GPa} using sound…
Liquids relax extremely slowly upon approaching the glass state. One explanation is that an entropy crisis, due to the rarefaction of available states, makes it increasingly arduous to reach equilibrium in that regime. Validating this…
We use large-scale simulations to investigate the dynamic fracture of silica and sodium-silicate glasses under uniaxial tension. The stress-strain curves demonstrate that silica glass is brittle whereas the glasses rich in Na show…
We study effect of cavity collapse in non-ideal explosives as a means of controlling their sensitivity. The main aim is to understand the origin of localised temperature peaks (hot spots) that play a leading order role at early ignition…
Motivated by an experimental finding on the density of supercooled water at high pressure [O. Mishima, J. Chem. Phys. 133, 144503 (2010)] we performed atomistic molecular dynamics simulations study of bulk water in the isothermal-isobaric…
We use high-resolution hydrodynamic simulations to investigate the density profile of hot gas in clusters of galaxies, adopting a variant of cold dark matter cosmologies and employing a cosmological N-body/smoothed particle hydrodynamics…