Related papers: Homogeneous SPC/E water nucleation in large molecu…
Water freezing is ubiquitous on Earth, affecting many areas from biology to climate science and aviation technology. Probing the atomic structure in the homogeneous ice nucleation process from scratch is of great value but still…
We calculate bubble-nucleation rates for (2+1)-dimensional scalar theories at high temperature. Our approach is based on the notion of a real coarse-grained potential. The region of applicability of our method is determined through internal…
The dynamics of phase transitions plays a crucial r\^ole in the so-called interface between high energy particle physics and cosmology. Many of the interesting results generated during the last fifteen years or so rely on simplified…
A highly diluted aqueous solution of histamine was studied by molecular dynamics using the TIP3P and SPC/E water models. It was shown that the local structure of the solution around histamine is determined by local Coulomb interactions and…
We present a multi-scale formalism that accounts for the formation of nano-scale bubbles/cavities owing to a burst of water molecules after the passage of high energy charged particles that leads to the formation of hot non-ionizing…
The Shell Model Monte Carlo (SMMC) approach has been applied to calculate level densities and partition functions to temperatures up to ~ 1.5 - 2 MeV, with the maximal temperature limited by the size of the configuration space. Here we…
We use a newly commissioned rapid expansion aerosol chamber (REACh) facility to study the homogeneous nucleation of water vapor to form liquid droplets. We perform high-speed measurements to track the partitioning of water into vapor and…
Using concepts from perturbation and local molecular field theories of liquids we divide the potential of the SPC/E water model into short and long ranged parts. The short ranged parts define a minimal reference network model that captures…
We report about a study of the ordinary muon capture in nuclei belonging to the sd shell, an electroweak process that occurs with exchange momenta far larger than ordinary beta decays (approximately 100 MeV). Such a characteristic places…
The prevalence of heterogeneous nucleation in nature was explained qualitatively by the classical theory for heterogeneous nucleation established over more than 60 years ago, but the quantitative validity and the key conclusions of the…
The interaction of a free-electron-laser pulse with a moderate or large size cluster is known to create a quasi-neutral nanoplasma, which then expands on hydrodynamic timescale, i.e., $>1$ ps. To have a better understanding of ion and…
Classical nucleation theory has been recently reformulated based on fluctuating hydrodynamics [J.F. Lutsko and M.A. Dur\'{a}n-Olivencia, J. Chem. Phys. 138, 244908 (2013)]. The present work extends this effort to the case of nucleation in…
The nucleation of particles from trace gases in the atmosphere is an important source of cloud condensation nuclei (CCN), and these are vital for the formation of clouds in view of the high supersaturations required for homogeneous water…
We use hydrodynamical simulations of different dark energy cosmologies to investigate the concentration-mass (c-M) relation in galaxy clusters. In particular, we consider a reference \Lambda CDM model, two quintessence models with inverse…
We present hydrodynamical N-body simulations of clusters of galaxies with feedback taken from semi-analytic models of galaxy formation. The advantage of this technique is that the source of feedback in our simulations is a population of…
Two first-principles simulation techniques, path integral Monte Carlo (PIMC) and density functional molecular dynamics (DFT-MD), are applied to study hot, dense helium in the density-temperature range of 0.387 - 5.35 g/cc and 500 K -…
To make relevant predictions about observable emission, hydrodynamical simulation codes must employ schemes that account for radiative losses, but the large dimensionality of accurate radiative transfer schemes is often prohibitive.…
We report a novel hybrid method of simultaneous atomistic simulation of solids in critical regions (contacts surfaces, cracks areas, etc.), along with continuum modeling of other parts. The continuum is treated in terms of quasi-atoms of…
Background: Exotic non-spherical nuclear pasta shapes are expected in nuclear matter at just below saturation density because of competition between short range nuclear attraction and long range Coulomb repulsion. Purpose: We explore the…
We have used non-equilibrium molecular dynamics to simulate the flow of water molecules around a charged nanoparticle described at the atomic scale. These non-equilibrium simulations allowed us to compute the friction coefficient of the…