Related papers: Computer simulation study of nanoscale size parahy…
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…
Many questions in physical cosmology regarding the thermal history of the intergalactic medium, chemical enrichment, reionization, etc. are thought to be intimately related to the nature and evolution of pregalactic structure. In particular…
We investigated the complete thermodynamic cycle of aluminium nanoparticles through classical molecular dynamics simulations, spanning a wide size range from 200 atoms to 11000 atoms. The aluminium-aluminium interactions are modelled using…
Since we still lack a theory of classical turbulence, attention has focused on the conceptually simpler turbulence in quantum fluids. Can such systems of identical singly-quantized vortices provide a physically accessible "toy model" of the…
We present a phenomenological model of melting in nanoparticles with facets that are only partially wet by their liquid phase. We show that in this model, as the solid nanoparticle seeks to avoid coexistence with the liquid, the…
Fragile quantum effects such as single electron charging in quantum dots or macroscopic coherent tunneling in superconducting junctions are the basis of modern quantum technologies. These phenomena can only be observed in devices where the…
We have considered the dislocation network model for the supersolid state in He-4 crystals. In difference with uniform 2D and 3D systems, the temperature of superfluid transition T_c in the network is much smaller than the degeneracy…
Molecular dynamics simulations show that gold clusters with about 600--3000 atoms crystallize into a Mackay icosahedron upon cooling from the liquid. A detailed surface analysis shows that the facets on the surface of the Mackay icosahedral…
In this article, we study the production of Hydrogen and Helium isotopes in heavy-ion collisions in the incident energy range between 80 and 150 MeV/nucleon. We compare their inclusive multiplicities emitted in the transverse plane of the…
The conventional theory of homogeneous and heterogeneous nucleation in a supersaturated vapor is tested by Monte Carlo simulations of the lattice gas (Ising) model with nearest-neighbor attractive interactions on the simple cubic lattice.…
Quasicrystals remain among the most intriguing materials in physics and chemistry. Their structure results in many unusual properties including anomalously low friction as well as poor electrical and thermal conductivity but it also…
We performed molecular dynamics (MD) simulations of the nucleation of water vapor in order to test nucleation theories. Simulations were performed for a wide range of supersaturation ratios (S = 3-25) and water temperatures (Tw=300-390K).…
Liquids crystallize as they cool; however, when crystallization is avoided in some way, they supercool, maintaining their liquidity, and freezing into glass at low temperatures, as ubiquitously observed. These metastable states crystallize…
This project models and studies the `head-on' collision of liquid helium nanodroplets within a vacuum, using molecular dynamics simulation techniques. Programs written in MATLAB and C are utilized in tandem to facilitate computer…
Fluid phase equilibria involving nano-dispersed phases, where at least one of the coexisting phases is confined to a small volume, are investigated by molecular dynamics simulation. Complementing previous studies on nanoscopic droplets,…
The Millennium Gas project aims to undertake smoothed-particle hydrodynamic resimulations of the Millennium Simulation, providing many hundred massive galaxy clusters for comparison with X-ray surveys (170 clusters with kTsl > 3 keV). This…
We report low-temperature measurements of dissipation in megahertz-range, suspended, single-crystal nanomechanical oscillators. At millikelvin temperatures, both dissipation (inverse quality factor) and shift in the resonance frequency…
We study the distribution of hydrogen and various hydride configurations in realistic models of a-Si:H for two different concentration generated via experimentally constrained molecular relaxation approach (ECMR) [1]. The microstructure…
The tunability and spatial precision of paramagnetic molecules makes them attractive for quantum sensing. However, usual microwave-based detection methods have poor temporal and spatial resolution, and optical methods compatible with…
The loss of information about the relative phase between two quantum states, known as decoherence, strongly limits resolution in electron paramagnetic spectroscopy and hampers the use of molecules for quantum information processing. At low…