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Microscale dynamic testing is vital to the understanding of material behavior at application relevant strain rates. However, despite two decades of intense micromechanics research, the testing of microscale metals has been largely limited…
The numerical simulation of a Poiseuille flow in a narrow channel using the molecular dynamics simulation (MDS) is performed. Poiseuille flow of liquid Argon in a carbon nanochannel is simulated by embedding the fluid particles in a uniform…
The properties of hot dense helium at megabar pressures were studied with two first-principles computer simulation techniques, path integral Monte Carlo and density functional molecular dynamics. The simulations predicted that the…
We present a series of 2-dimensional hydrodynamic simulations of massive disks around protostars. We simulate the same physical problem using both a `Piecewise Parabolic Method' (PPM) code and a `Smoothed Particle Hydrodynamic' (SPH) code,…
Dust explosions are among the most hazardous accidents affecting industrial facilities processing particulate solids. Describing the severity parameters of dust clouds is critical to the safety management and risk assessment of dust…
Nano-structured molybdenum-copper composites have been produced through severe plastic deformation of liquid-metal infiltrated Cu30Mo70 and Cu50Mo50 (wt.%) starting materials. Processing was carried out using high pressure torsion at room…
We review here the physics of capillary condensation of liquids in confined media, with a special regard to the application in nanotechnologies. The thermodynamics of capillary condensation and thin film adsorption are first exposed along…
We perform molecular dynamic simulations of liquid nanoparticles deposited on a disordered substrate. The motion of the nanoparticle is characterised by a 'stick and roll' diffusive process. Long simulation times ($\simeq \mu s$), analysis…
In the last decades a large effort has been devoted to the study of water confined in hydrophobic geometries at the nanoscale (tubes, slit pores), because of the multiple technological applications of such systems, ranging from drugs…
The long-timescale behavior of adsorbed carbon monoxide on the surface of amorphous water ice is studied under dense cloud conditions by means of off-lattice, on-the-fly, kinetic Monte Carlo simula- tions. It is found that the CO mobility…
A series of 20 ps ab initio molecular dynamic simulations of water at ambient density and temperatures ranging from 300 to 450K are presented. Both Car-Parrinello (CP) and Born-Oppenheimer (BO) molecular dynamics techniques are compared for…
A (10x10) single-walled carbon nanotube consisting of 400 atoms with 20 layers is simulated under tensile loading using our developed O(N) parallel tight-binding molecular-dynamics algorithms. It is observed that the simulated carbon…
We compare the thickness of shock wave fronts at different Mach numbers, modeled via Navier-Stokes (NS) and Quasi-gasdynamic (QGD) equations, with experimental results from the literature. Monoatomic argon and helium, and diatomic nitrogen,…
We investigate the acoustical properties of uncompressed and compressed open-celled aluminum metal foams fabricated using a directional solidification foaming process. We compressed the fabricated foams using a hydraulic press to different…
The structural evolution and dynamics of silver nanodrops Ag${}_{2896}$ (4.4 nm in diameter) during rapid cooling conditions has been studied by means of molecular dynamics simulations and electronic density of state calculations. The…
Although real surfaces exhibit intricate topologies at the nanoscale, rough surface consideration is often overlooked in nanoscale heat transfer studies. Superimposed sinusoidal functions effectively model the complexity of these surfaces.…
Structural failure of concrete buildings on fire and complete destruction of the monolithic refractory lining during their drying stage are dangerous examples of the effect of explosive spalling on partially saturated porous media. Several…
The use of CO2 as a natural refrigerant in data center cooling, oil recovery and in CO2 capture and storage which is gaining traction in recent years involves heat transfer between CO2 and the base fluid. A need arises to improve the…
Fast scanning calorimetry (FSC) was employed to investigate glass softening dynamics in amorphous solid water (ASW) nano-aggregates with thicknesses ranging from 2 to 20 nm. ASW nano-aggregates were prepared by vapor-deposition on the…
We study compressible fluid flow in narrow two-dimensional channels using a novel molecular dynamics simulation method. In the simulation area, an upstream source is maintained at constant density and temperature while a downstream…