In this article, we review thermal transport in polymers with different morphologies from
aligned fibers to bulk amorphous states. We survey early and recent efforts in engineering …

Although the computation of heat flux and thermal conductivity either via Fourier's law or the
Green-Kubo relation has become a common task in molecular dynamics simulation …

This article provides the author's perspectives on the current molecular-level understanding
of thermophysical properties and transport processes in liquids. After illustrating peculiarities …

The virial stress tensor-based instantaneous heat flux, which is used by LAMMPS, is only
valid for the small subset of simulations that contain only pairwise interactions. For systems …

The physics of thermal transport in polymers is important in many applications, such as in
heat exchangers and electronics packaging. Even though thermal conductivity models for …

We performed molecular dynamics (MD) simulations on amorphous polyethylene (PE) and
polystyrene (PS) in order to elucidate the effect of crosslinks between polymer chains on …

Developing predictive thermal property models for liquids based on microscopic principles
has been elusive. The difficulty is that liquids have gas-like and solid-like attributes that are …

Polymers with high thermal conductivities are of great interest for both scientific research
and industrial applications. In this study, model amorphous polymer blends are studied …

Molecular dynamics simulations of a liquid layer between solid surfaces under a
temperature gradient were performed to investigate the mechanism by which solid-liquid …

Although tremendous efforts have been devoted to enhance thermal conductivity in polymer
fibers, correlation between the thermal-drawing conditions and the resulting chain …