A review of simulation methods in micro/nanoscale heat conduction

H Bao, J Chen, X Gu, B Cao - ES Energy & Environment, 2018 - espublisher.com
Significant progress has been made in the past two decades about the micro/nanoscale
heat conduction. Many computational methods have been developed to accommodate the …

Carbon-related materials: graphene and carbon nanotubes in semiconductor applications and design

M Kolahdouz, B Xu, AF Nasiri, M Fathollahzadeh… - Micromachines, 2022 - mdpi.com
As the scaling technology in the silicon-based semiconductor industry is approaching
physical limits, it is necessary to search for proper materials to be utilized as alternatives for …

Tunable anisotropic thermal transport in porous carbon foams: The role of phonon coupling

XK Chen, XY Hu, P Jia, ZX Xie, J Liu - International Journal of Mechanical …, 2021 - Elsevier
Carbon foams (CFs) possess high storage capacity, good electronic conductivity and superb
mechanical strength, which demonstrate promising applications in many engineering fields …

Optimized Tersoff and Brenner empirical potential parameters for lattice dynamics and phonon thermal transport in carbon nanotubes and graphene

L Lindsay, DA Broido - Physical Review B—Condensed Matter and Materials …, 2010 - APS
We have examined the commonly used Tersoff and Brenner empirical interatomic potentials
in the context of the phonon dispersions in graphene. We have found a parameter set for …

Phonon properties and thermal conductivity from first principles, lattice dynamics, and the Boltzmann transport equation

AJH McGaughey, A Jain, HY Kim, B Fu - Journal of Applied Physics, 2019 - pubs.aip.org
ABSTRACT A computational framework for predicting phonon frequencies, group velocities,
scattering rates, and the resulting lattice thermal conductivity is described. The underlying …

Comparison of atomic-level simulation methods for computing thermal conductivity

PK Schelling, SR Phillpot, P Keblinski - Physical Review B, 2002 - APS
We compare the results of equilibrium and nonequilibrium methods to compute thermal
conductivity. Using Sillinger-Weber silicon as a model system, we address issues related to …

[图书][B] Nanoscale energy transport and conversion: a parallel treatment of electrons, molecules, phonons, and photons

G Chen - 2005 - books.google.com
This is a graduate level textbook in nanoscale heat transfer and energy conversion that can
also be used as a reference for researchers in the developing field of nanoengineering. It …

Force and heat current formulas for many-body potentials in molecular dynamics simulations with applications to thermal conductivity calculations

Z Fan, LFC Pereira, HQ Wang, JC Zheng, D Donadio… - Physical Review B, 2015 - APS
We derive expressions of interatomic force and heat current for many-body potentials such
as the Tersoff, the Brenner, and the Stillinger-Weber potential used extensively in molecular …

Lanthanum zirconate based thermal barrier coatings: A review

J Zhang, X Guo, YG Jung, L Li, J Knapp - Surface and Coatings Technology, 2017 - Elsevier
This review article summarizes the latest information about the manufacturing techniques of
lanthanum zirconate (La 2 Zr 2 O 7, LZ) powder and La 2 Zr 2 O 7 based thermal barrier …

Strain effects on the thermal conductivity of nanostructures

X Li, K Maute, ML Dunn, R Yang - Physical Review B—Condensed Matter and …, 2010 - APS
Applying stress/strain on a material provides a mechanism to tune the thermal conductivity of
materials dynamically or on demand. Experimental and simulation results have shown that …