In the present attempt, flow behavior and thermal convection of one type of nanofluids in a disc geometry was investigated using Computational Fluid Dynamics (CFD). Influence of gravity induced sedimentation also has been studied. The commercial software, Fluent 6.2, has been employed to solve the governing equations. A user defined function was added to apply a uniform external ma...

This work provides a generalization of Evans' homogeneous nonequilibrium method for estimating thermal conductivity to molecular systems that are described by general multibody potentials. A perturbed form of the usual Nose-Hoover equations of motion is formally constructed and is shown to satisfy the requirements of Evans' original method. These include adiabatic incompressibility of phase spa...

A recently discovered two-dimensional (2D) layered material phosphorene has attracted considerable interest as a promising p-type semiconducting material. In this work, thermal conductivity (κ) of monolayer phosphorene is calculated using large-scale classical non-equilibrium molecular dynamics (NEMD) simulations. The predicted thermal conductivities for infinite length armchair and zigzag phos...

We perform molecular dynamics (MD) simulations to investigate the effect of polar surfaces on the thermal transport in zinc oxide (ZnO) nanowires. We find that the thermal conductivity of nanowires with free polar (0001) surfaces is much higher than that of nanowires that have been stabilized with reduced charges on the polar (0001) surfaces, and also hexagonal nanowires without any transverse ...

Two microscopic transition theorems are given for the probability of nonequilibrium work performed on a subsystem of a thermal reservoir along the trajectory in phase space of the subsystem. The resultant transition probability is applied to the case of heat flow down an applied temperature gradient. A combined molecular dynamics and Monte Carlo algorithm is given for such a nonequilibrium stea...

The authors use molecular dynamics simulation to investigate the thermal transport characteristics of water with various degree of orientational and translational orders induced by the application of an electric field. The authors observe that the orientational ordering of the water dipole moments has a minor effect on the thermal conductivity. However, electric-field-induced crystallization an...

We use a mesodynamical method, denoted dynamics with implicit degrees of freedom (DID), to characterize thermal transport in a model molecular crystal below and above its melting temperature. DID represents groups of atoms (molecules in this case) using mesoparticles and the thermal role of the intramolecular degrees of freedom (DoFs) are described implicitly using their specific heat. We focus...

Much of the recent changes in North American climate have occurred during the winter months, and as result, overwintering birds represent important sentinels of anthropogenic climate change. While there is mounting evidence that bird populations are responding to a warming climate (e.g., poleward shifts) questions remain as to whether these species-specific responses are resulting in community-...

The thermal conductivity of strongly coupled Yukawa liquids, being relevant to dusty plasmas, is calculated from nonequilibrium molecular dynamics simulations. The calculations cover a wide range of plasma coupling (Gamma) and screening (kappa) parameters and yield data which are generally in good agreement with the results of recent independent calculations. An improved analytical formula, rel...