Related papers: Minimum in the thermal conductivity of supercooled…
We estimate the liquid-vapour surface tension from simulations of TIP4P/2005 water nanodroplets of size $N$=100 to 2880 molecules over a temperature $T$ range of 180 K to 300 K. We compute the planar surface tension $\gamma_p$, the…
We use numerical simulation to examine the possibility of a reversible liquid-liquid transition in supercooled water and related systems. In particular, for two atomistic models of water, we have computed free energies as functions of…
We perform lengthy molecular dynamics simulations of the SPC/E model of water to investigate the dynamics under pressure at many temperatures and compare with experimental measurements. We calculate the isochrones of the diffusion constant…
The evaluation of transport coefficients in extended systems, such as thermal conductivity or shear viscosity, is known to require impractically long simulations, thus calling for a paradigm shift that would allow to deploy state-of-the-art…
We have performed direct numerical simulations (DNS) of compressible turbulent channel flow at supercritical pressure with top and bottom isothermal walls kept respectively at a supercritical (Ttop > Tpb) and subcritical temperature (Tbot <…
Since their discovery in 1822, supercritical fluids have been of enduring interest, and have started to be deployed in many important applications. Theoretical understanding of the supercritical state is lacking, and is seen to limit…
Thermal conduction in the intracluster medium has been proposed as a possible heating mechanism for offsetting central cooling losses in rich clusters of galaxies. In this study, we introduce a new formalism to model conduction in a diffuse…
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…
In the supercooled regime at elevated pressure two forms of liquid water, high-density (HDL) and low-density (LDL), have been proposed to be separated by a coexistence line ending at a critical point, but a connection to ambient conditions…
A number of crystal structures of water have been `superheated' in Monte Carlo simulations. Two well known models for water were considered; namely the TIP4P model and the SPC/E model. By comparing the fluid-solid coexistence temperature to…
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…
Simulation of transport properties of confined, low-dimensional fluids can be performed efficiently by means of Multi-Particle Collision (MPC) dynamics with suitable thermal-wall boundary conditions. We illustrate the effectiveness of the…
It has been shown that the dependence of thermal expansion coefficient and of the isobaric heat capacity of supercooled water on the temperature contradicts to an important thermodynamic relation. Keywords: Supercooled water, Negative…
Dimensions and molecular structure play pivotal roles in the principle of heat conduction. The dimensional characteristics of solution within nanoscale systems depend on the degrees of confinement. However, the influence of such variations…
Nanofluids are suspensions of nanoparticles in a base heat-transfer liquid. They have been widely investigated to boost heat transfer since they were proposed in the 1990's. We present a statistical correlation analysis of experimentally…
Transient processes generally constitute part of energy-system cycles. If skillfully manipulated, they actually are capable of assisting systems to behave beneficially to suit designers' needs. In the present study, behaviors related to…
A core-softened model of a glass forming fluid is numerically studied in the limit of very low temperatures. The model shows two qualitatively different behaviors depending on the strength of the attraction between particles. For no or low…
The model of hypothetical superconductivity, where the energy gap asymptotically approaches zero as temperature increases, has been proposed. Formally the critical temperature of such a superconductor is equal to infinity. For practical…
Although the electrical transport properties of mesoscopic metallic samples have been investigated extensively over the past two decades, the thermal properties have received far less attention. This may be due in part to the difficulty of…
Heat pipe is an efficient heat transfer element based on two-phase natural circulation, which has advantages of simple structure, strong heat transfer ability, and good isothermal performance. Heat pipes are widely used in heat transfer and…