In the framework of the Mueller-Israel-Stewart theory of dissipative fluid dynamics, we have studied the space-time evolution of a QGP fluid. For simplicity, we have considered shear viscosity only and neglected bulk viscosity and heat conductivity. Shear viscosity opposes the expansion and cooling of the fluid. As a result, the lifetime of the fluid is extended. We also find that the parton pT...

Thermal expansion and impurity effects on the lattice thermal conductivity of solid argon have been investigated with equilibrium molecular dynamics simulation. Thermal conductivity is simulated over the temperature range of 20-80 K. Thermal expansion effects, which strongly reduce thermal conductivity, are incorporated into the simulations using experimentally measured lattice constants of sol...

First principles molecular dynamics (MD) simulations, of water adsorption on the MgOf100g surface, was performed to determine the molecular structure and chemical nature of the adsorbed water at varying coverage. Dissociative adsorption was stabilized by hydrogen bond donation from neighboring water molecules. The dissociation barrier had a strong dependence on coverage. Spontaneous dissociatio...

Using molecular dynamics simulations we study supercritical fluids near the gas-liquid critical point under heat flow in two dimensions. We calculate the steady-state temperature and density profiles. The resultant thermal conductivity exhibits critical singularity in agreement with the mode-coupling theory in two dimensions. We also calculate distributions of the momentum and heat fluxes at fi...

Tensile strain and compress strain can greatly affect the thermal conductivity of graphene nanoribbons (GNRs). However, the effect of GNRs under shear strain, which is also one of the main strain effect, has not been studied systematically yet. In this work, we employ reverse nonequilibrium molecular dynamics (RNEMD) to the systematical study of the thermal conductivity of GNRs (with model size...

Thermal conductivity κ of both suspended and supported graphene has been studied by using molecular dynamics simulations. An obvious length dependence is observed in κ of suspended single-layer graphene (SLG), while κ of supported SLG is insensitive to the length. The simulation result of room temperature κ of supported SLG is in good agreement with the experimental value. In contrast to the de...

The thermal conductivity of monolayer graphene nanoribbons (GNRs) with different tensile strain is investigated by using a nonequilibrium molecular dynamics method. Significant increasing amplitude of the molecular thermal vibration, molecular potential energy vibration and thermal conductivity vibration of stretching GNRs were detected. Some 20%~30% thermal conductivity decay is found in 9%~15...

Molecular dynamics of argon atoms in a nano-triangular channel which consists of (111) platinum walls were studied. The molecular dynamics simulations aim to gain understanding in the heat transfer through the channel including the influence of the contact resistances which become important in small-scale systems. The heat transfer properties of the finite-space system were measured at a quasi-...

Using molecular dynamics simulations and the Green–Kubo method, the thermal transport in the Lennard-Jones argon face centered cubic crystal is described by two time constants related to the decay of the heat current autocorrelation function. The first time scale is associated with short wavelength acoustic phonons that have mean free paths equal to one half of their wavelength. The associated ...

in a temperature gradient, see Fig.1. This is of our knowledge the first molecular dynamics study of a reacting system submitted to non-equilibrium conditions. The reaction, which is diffusion controlled, was investigated at and close to local chemical equilibrium. The transport properties are determines; i.e. diffusion, thermal conductivity and the coupling between transport of heat and mass. ...