Related papers: Modelling of liquid internal energy and heat capac…
We explored the composition dependence of a rather comprehensive set of properties of liquid water-ethanol mixtures by using the isobaric-isothermal molecular dynamics computer simulations. The united atom non-polarizable model from the…
The mechanism of diffusion in supercooled liquids is investigated from the potential energy landscape point of view, with emphasis on the crossover from high- to low-T dynamics. Molecular dynamics simulations with a time dependent mapping…
Liquid metals play a central role in new generation liquid metal cooled nuclear reactors, for which numerical investigations require the use of appropriate thermal turbulence models for low Prandtl number fluids. Given the limitations of…
In the past, laser propagation in a fluid with heat transfer has been modeled using simplistic conduction and convection conditions yielding inaccurate predictions. Here we present a detailed numerical study describing the thermal profile…
Hypersonic boundary layer transition using high-order methods for direct numerical simulations (DNS) is largely unexplored, although a few references exist in the literature. Experimental data in the hypersonic regime are scarce, while…
Generalized Rosenfeld-Tarazona scaling predicts the power-law dependence of the excess heat capacity of simple liquids on temperature. The two-phase model treats a liquid as a superposition of gas- and solid-like components whose relative…
Using molecular dynamic simulations we study a waterlike model confined between two fixed hydrophobic plates. The system is tested for density, diffusion and structural anomalous behavior and compared with the bulk results. Within the range…
We study the specific heat of a model supercooled liquid confined in a spherical cavity with amorphous boundary conditions. We find the equilibrium specific heat has a cavity-size-dependent peak as a function of temperature. The cavity…
Ferrofluid heating by an external alternating field is studied based on the rigid dipole model, where the magnetization of each particle in a fluid is supposed to be firmly fixed in the crystal lattice. Equations of motion, employing the…
In a Galilean superfluid, the depletion of superfluid density with rising temperature can be attributed to thermally excited non-interacting phonons. For systems without Galilean symmetry, it has been shown [1] that ``phonon wind" is no…
The high frequency dynamics of fluid oxygen have been investigated by Inelastic X-ray Scattering. In spite of the markedly supercritical conditions ($T\approx 2 T_c$, $P>10^2 P_c$), the sound velocity exceeds the hydrodynamic value of about…
We present results of interface-resolved simulations of heat transfer in suspensions of finite-size neutrally-buoyant spherical particles for solid volume fractions up to 35% and bulk Reynolds numbers from 500 to 5600. An Immersed…
A roughly constant temperature over a wide range of densities is maintained in molecular clouds through radiative heating and cooling. An isothermal equation of state is therefore frequently employed in molecular cloud simulations. However,…
Energy consumption for hot water production is a major draw in high efficiency buildings. Optimizing this has typically been approached from a thermodynamics perspective, decoupled from occupant influence. Furthermore, optimization usually…
Various condensed phases of water, spanning from the liquid state to multiple ice phases, have been systematically investigated under extreme conditions of pressure and temperature to delineate their stability boundaries. This study focuses…
A new empirical potential for efficient, large scale molecular dynamics simulation of water is presented. The HIPPO (Hydrogen-like Intermolecular Polarizable POtential) force field is based upon the model electron density of a hydrogen-like…
The structure, thermodynamics and slow activated dynamics of the equilibrated metastable regime of glass-forming fluids remains a poorly understood problem of high theoretical and experimental interest. We apply a highly accurate…
Molecular dynamics simulations and instantaneous normal mode (INM) analysis of a fluid with core-softened pair interactions and water-like liquid-state anomalies are performed to obtain an understanding of the relationship between…
Precipitation of the topologically close-packed Fe2Mo Laves phase at the interface between the nuclear fuel and the fuel element cladding can significantly weaken the strength characteristics of the cladding and fuel. Despite the importance…
The thermodynamics and dynamics of supercooled liquids correlate with their elasticity. In particular for covalent networks, the jump of specific heat is small and the liquid is {\it strong} near the threshold valence where the network…