Impact of torsion and disorder on the thermal conductivity of Si nanowires: A nonequilibrium molecular dynamics study
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Physics and Chemistry of Solids"
DOI: 10.1016/j.jpcs.2017.09.032
Abstract: Abstract In this paper, we investigate the thermal transport in Si nanowires by using nonequilibrium molecular dynamics simulations (NEMD). We focus on the effects of axial torsion and impurity on the thermal conductivity of the… read more here.
Keywords: torsion; molecular dynamics; conductivity nanowires; thermal conductivity ... See more keywords
On the domain size effect of thermal conductivities from equilibrium and nonequilibrium molecular dynamics simulations
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Applied Physics"
DOI: 10.1063/1.4974884
Abstract: Equilibrium molecular dynamics (EMD) simulations with the Green-Kubo formula and nonequilibrium molecular dynamics (NEMD) simulations with the Fourier's Law are two widely used methods for calculating thermal conductivities of materials. It is well known that… read more here.
Keywords: molecular dynamics; emd simulations; size; domain size ... See more keywords
Shear Rheology of Unentangled and Marginally Entangled Ring Polymer Melts from Large-Scale Nonequilibrium Molecular Dynamics Simulations
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DOI: 10.3390/polym11071194
Abstract: We present results for the steady state shear rheology of non-concatenated, unentangled and marginally entangled ring poly(ethylene oxide) (PEO) melts from detailed, atomistic nonequilibrium molecular dynamics (NEMD) simulations, and compare them to the behavior of… read more here.
Keywords: entangled ring; rheology; marginally entangled; unentangled marginally ... See more keywords