Algaer, Elena (2010) Thermal Conductivity of Polymer Materials - Reverse Nonequilibrium Molecular Dynamics Simulations. Technische Universität Darmstadt Ph.D.

Figure 3-5. The calculated thermal conductivity of polyamide-6,6 as a function of degrees of freedom per repeat unit. The line is a linear fit to the data.

Nov 21, 2022 · The thermal motion trajectories of atoms at the microscale were observed and investigated. The thermal conductivity was calculated by the RNEMD ...

This study presents a numerical investigation on the thermal conducting performance of a novel nano-architectured hybrid porous structure

Aug 10, 2011 · It is concluded that the coefficient of heat conductivity depends on the degree of polymer layering between the surfaces and on the pore width.

Jun 4, 2024 · We present a new method for introducing stable nonequilibrium concentration gradients in molecular dynamics simulations of mixtures.

Oct 17, 2023 · The epoxy resin achieved 215% improvement in intrinsic TC by changing the molecular arrangement orderliness.

The review summarizes selected well-proven microscopic theoretical approaches to calculate thermal conductivities such as EMD, NEMD, EMT, and BTE.

It is concluded that the coefficient of heat conductivity depends on the degree of polymer layering between the surfaces and on the pore width. Our results ...

Jan 20, 2021 · For all simulated polymers, the thermal conductivity increases with an increase in the degree of crosslinking. This agrees well with the theory ...