Related papers: Thermal conductivity of commodity polymers under h…
In this work, we aim to study the thermal properties of materials using classical molecular dynamics simulations and specialized numerical methods. We focus primarily on the thermal conductivity \kappa using non-equilibrium molecular…
This work discusses about the transport coefficients for non equilibrium hot metals. First, we review the role of the non equilibrium Kappa distribution in which the Kappa parameter varies with the temperature. A brief discussion compares…
We report the measurements of the thermal conductivity ($\kappa$) of iron (Fe) and nickel (Ni) at high pressures and high temperatures. $\kappa$ values are estimated from the temperature measurements across the sample surface in a laser…
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…
The in medium dynamics of heavy particles are governed by transport coefficients. The heavy quark momentum diffusion coefficient, $\kappa$, is an object of special interest in the literature, but one which has proven notoriously difficult…
Heat dissipation is critical in modern engineering systems. Polymer additives offer a potential route to improve fluid-based cooling. Here, we study elasticity-enhanced heat transfer in two-dimensional, thermally-stratified Poiseuille flow.…
A thermo-mechanical continuum theory is proposed for dynamically loaded glassy polymers. The theory is based on an ansatz for the Helmholtz free energy where both the deviatoric and the volumetric contributions to the free energy are…
Polymer simulations routinely employ models with different molecular resolutions. United atom (UA) models are one such example, where groups of certain atoms in a molecule are clustered into superatoms. Although their computational…
Poly(Methyl Methacrylate) (PMMA) and CaCu3Ti4O12 (CCTO) composites were fabricated via melt mixing followed by hot pressing technique. These were characterized using X-ray diffraction (XRD), thermo gravimetric (TGA), Thermo Mechanical…
The field dependence of low-temperature thermal conductivity $\kappa(H)$ observed on cuprates is explained by calculating $\kappa(H)$ microscopically. The heat current carried by low-lying quasiparticles around a vortex core decreases with…
Hybrid molecular dynamics/Monte Carlo simulations used to study melts of unentangled, thermoreversibly associating supramolecular polymers. In this first of a series of papers, we describe and validate a model that is effective in…
We present experimental evidence that a minute amount of polymer additives can significantly enhance heat transport in the bulk region of turbulent thermal convection. The effects of polymer additives are found to be the…
Recently, some reports show that the ultra-low thermal conductivity of bulk polymers can be enhanced along one direction, which limits its applications. Here, we proposed paved crosswise laminate methods which can enhance the thermal…
We analyze, through molecular dynamics simulations, the temperature dependence of the thermal conductivity (k) of chain-oriented amorphous polyethylene (PE). We find that at increasing levels of orientation, the temperature corresponding to…
Some existing approaches to modeling the thermodynamics of moist air make approximations that break $\textit{thermodynamic consistency}$, such that the resulting thermodynamics do not obey the 1st and 2nd laws or have other inconsistencies.…
Research on conjugated polymers for thermoelectric applications has made tremendous progress in recent years, which is accompanied by surging interest in molecular doping as a means to achieve the high electrical conductivities that are…
The mechanical properties of two-dimensional materials are important for a wide range of applications including composite and van der Waals-materials, flexible electronics and superconductivity. Several aspects are highly debated in the…
We study numerically the thermal conductivity coefficient $\kappa$ as a function of system length $L$ for several different quasi one dimensional models: classical gases of hard spheres with both longitudinal and transverse degrees of…
We present computer simulations of a simple bead-spring model for polymer melts with intramolecular barriers. By systematically tuning the strength of the barriers, we investigate their role on the glass transition. Dynamic observables are…
We present the results of a microscopic calculation of the longitudinal thermal conductivity, $\kappa$, of a d-wave superconductor in the mixed state. Our results show an increase in the thermal conductivity with the applied field at low…