Related papers: Computer simulation study of nanoscale size parahy…
Preliminary results are presented from the CLEF hydrodynamics simulation, a large (N=2(428)^3 particles within a 200 Mpc/h comoving box) simulation of the LCDM cosmology that includes both radiative cooling and a simple model for galactic…
A recent claim of superfluid behaviour of parahydrogen adsorbed inside armchair carbon nanotubes [M. Rossi and F. Ancilotto, Phys. Rev. B 94, 100502 (2016)] is disproven by means of first principle computer simulations. Conclusive numerical…
Electrons on a helium surface form a quasi two-dimensional system which displays the highest mobility reached in condensed matter physics. We propose to use this system as a set of interacting quantum bits. We will briefly describe the…
The static and dynamical properties of heavy water have been studied at ambient conditions with extensive Car-Parrinello molecular-dynamics simulations in the canonical ensemble, with temperatures ranging between 325 K and 400 K.…
In this work, the melting phase transitions of $Fe_{n}$ nanoclusters with $10 \leq n \leq 100$ atoms are investigated using classical many-body molecular dynamics simulations. For many cluster sizes, surface melting occurs at much lower…
Quantum crystals abound in the whole range of solid-state species. Below a certain threshold temperature the physical behavior of rare gases (4He and Ne), molecular solids (H2 and CH4), and some ionic (LiH), covalent (graphite), and…
Explicit simulations of fluid mixtures of highly size-dispersed particles are constrained by numerical challenges associated with identifying pair-interaction neighbors. Recent algorithmic developments have ameliorated these difficulties to…
We present a new scenario for the formation of cool cores in rich galaxy clusters based on results from recent high spatial dynamic range, adaptive mesh Eulerian hydrodynamic simulations of large-scale structure formation. We find that…
The circumgalactic medium (CGM) is the diffuse gas surrounding a galaxy's halo, and it plays a vital role in the galactic baryon cycle. However, its mass distribution across the virial phase and the cooler, denser atomic phase, remains…
Confinement can have a considerable effect on the behavior of particle systems, and is therefore an effective way to discover new phenomena. A notable example is a system of identical bosons at low temperature under an external field…
We introduce a method for classical trajectory calculations to simulate collisions between atoms and large rigid asymmetric-top molecules. Using this method, we investigate the formation of molecule-helium complexes in buffer-gas cooling…
We compute, including a current state-of-the-art treatment of hydrodynamical processes, heating and cooling, a variety of cosmological models into the extreme nonlinear phase to enable comparisons with observations. First, we note the…
This paper is devoted to semiclassical molecular dynamics simulation of nondegenerate hydrogen plasma using an improved Kelbg pseudopotential. The main novelty of our method is accounting for the finite size of electrons. This modification…
Matter at low temperatures exhibits unusual properties such as superfluidity, superconductivity, Bose-Einstein condensation, and supersolidity. These states display quantum mechanical behaviours at scales much larger than atomic dimensions.…
We investigate the finite-temperature phase diagram of polar molecules confined in a quasi-two-dimensional geometry by a harmonic potential along the polarization axis. We employ Quantum Monte Carlo simulations to explore the strongly…
We investigate molecular evolution from a molecular cloud core to a first hydrostatic core in three spatial dimensions. We perform a radiation hydrodynamic simulation in order to trace fluid parcels, in which molecular evolution is…
Extensive Path Integral Monte Carlo simulations of condensed para-Hydrogen in two dimensions at low temperature have been carried out. In the zero temperature limit, the system is a crystal at equilibrium, with a triangular lattice…
Supercooled water is expected to exhibit a liquid--liquid phase transition between low- and high-density liquid states, possibly terminating in a liquid--liquid critical point in the experimentally difficult no man's land. Because the…
Recent progress in the synthesis and processing of nano-structured materials and systems calls for an improved understanding of thermal properties on small length scales. In this context, the question whether thermodynamics and, in…
The thermal characteristics of silicon between 15 and 300 deg K are investigated by applying a computer program on the solution of the differential heat diffusion equation. The computer model is linked to high-purity silicon through a set…