Thermal boundary conductance: A materials science perspective
C Monachon, L Weber, C Dames - Annual Review of Materials …, 2016 - annualreviews.org
The thermal boundary conductance (TBC) of materials pairs in atomically intimate contact is
reviewed as a practical guide for materials scientists. First, analytical and computational …
reviewed as a practical guide for materials scientists. First, analytical and computational …
Phonon transport in molecular dynamics simulations: formulation and thermal conductivity prediction
AJH McGaughey, M Kaviany - Advances in heat transfer, 2006 - Elsevier
Publisher Summary This chapter discusses the phonon transport in molecular dynamics
(MD) simulations. The chapter presents a formulation for studying the thermal transport in …
(MD) simulations. The chapter presents a formulation for studying the thermal transport in …
The Lennard-Jones potential: when (not) to use it
X Wang, S Ramírez-Hinestrosa, J Dobnikar… - Physical Chemistry …, 2020 - pubs.rsc.org
The Lennard-Jones 12-6 potential (LJ) is arguably the most widely used pair potential in
molecular simulations. In fact, it is so popular that the question is rarely asked whether it is fit …
molecular simulations. In fact, it is so popular that the question is rarely asked whether it is fit …
Effects of temperature and disorder on thermal boundary conductance at solid–solid interfaces: Nonequilibrium molecular dynamics simulations
Thermal transport across interfaces is becoming increasingly important with the advent of
nanostructures and nanocomposite materials. A nonequilibrium molecular dynamics …
nanostructures and nanocomposite materials. A nonequilibrium molecular dynamics …
Molecular dynamics simulations of lattice thermal conductivity and spectral phonon mean free path of PbTe: Bulk and nanostructures
In this work, molecular dynamics (MD) simulations are performed to predict the lattice
thermal conductivity of PbTe bulk and nanowires. The thermal conductivity of PbTe bulk is …
thermal conductivity of PbTe bulk and nanowires. The thermal conductivity of PbTe bulk is …
In-plane lattice thermal conductivities of multilayer graphene films
The in-plane lattice thermal conductivities of a single layer and multilayer graphene films are
investigated using nonequilibrium molecular dynamics simulations. It is found the thermal …
investigated using nonequilibrium molecular dynamics simulations. It is found the thermal …
Diffusivity of CO2 in H2O: A Review of Experimental Studies and Molecular Simulations in the Bulk and in Confinement
An in-depth review of the available experimental and molecular simulation studies of CO2
diffusion in H2O, which is a central property in important industrial and environmental …
diffusion in H2O, which is a central property in important industrial and environmental …
Thermal conductance at the interface between crystals using equilibrium and nonequilibrium molecular dynamics
S Merabia, K Termentzidis - Physical Review B—Condensed Matter and …, 2012 - APS
In this article, we compare the results of nonequilibrium (NEMD) and equilibrium (EMD)
molecular dynamics methods to compute the thermal conductance at the interface between …
molecular dynamics methods to compute the thermal conductance at the interface between …
Thermal transport in a graphene–MoS 2 bilayer heterostructure: a molecular dynamics study
With the availability of various types of two-dimensional materials such as graphene (GE)
and MoS2, intensive efforts have been devoted to their van der Waals heterostructures …
and MoS2, intensive efforts have been devoted to their van der Waals heterostructures …
Heat transfer—A review of 2004 literature
RJ Goldstein, WE Ibele, SV Patankar, TW Simon… - International Journal of …, 2010 - Elsevier
The present review covers the heat transfer literature published in 2004 in English
language, including some translations of foreign language papers. Though extensive, some …
language, including some translations of foreign language papers. Though extensive, some …