Exact diagonal representation of normal mode energy, occupation number, and heat current for phonon-dominated thermal transport
- Authors:
-
[1];
[1]
- Department of Nuclear Engineering, North Carolina State University, Raleigh, North Carolina 27695, USA
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1562132
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Journal of Chemical Physics
- Additional Journal Information:
- Journal Name: Journal of Chemical Physics Journal Volume: 151 Journal Issue: 10; Journal ID: ISSN 0021-9606
- Publisher:
- American Institute of Physics
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Raj, Anant, and Eapen, Jacob. Exact diagonal representation of normal mode energy, occupation number, and heat current for phonon-dominated thermal transport. United States: N. p., 2019.
Web. doi:10.1063/1.5099936.
Raj, Anant, & Eapen, Jacob. Exact diagonal representation of normal mode energy, occupation number, and heat current for phonon-dominated thermal transport. United States. doi:10.1063/1.5099936.
Raj, Anant, and Eapen, Jacob. Sat .
"Exact diagonal representation of normal mode energy, occupation number, and heat current for phonon-dominated thermal transport". United States. doi:10.1063/1.5099936.
@article{osti_1562132,
title = {Exact diagonal representation of normal mode energy, occupation number, and heat current for phonon-dominated thermal transport},
author = {Raj, Anant and Eapen, Jacob},
abstractNote = {},
doi = {10.1063/1.5099936},
journal = {Journal of Chemical Physics},
number = 10,
volume = 151,
place = {United States},
year = {2019},
month = {9}
}
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DOI: 10.1063/1.5099936
DOI: 10.1063/1.5099936
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Works referenced in this record:
Phonon dispersion using the ratio of zero-time correlations among conjugate variables: Computing full phonon dispersion surface of graphene
journal, May 2019
- Raj, Anant; Eapen, Jacob
- Computer Physics Communications, Vol. 238
Quantitatively analyzing phonon spectral contribution of thermal conductivity based on nonequilibrium molecular dynamics simulations. I. From space Fourier transform
journal, November 2015
- Zhou, Yanguang; Zhang, Xiaoliang; Hu, Ming
- Physical Review B, Vol. 92, Issue 19
Heat conductivity in graphene and related materials: A time-domain modal analysis
journal, November 2015
- Gill-Comeau, Maxime; Lewis, Laurent J.
- Physical Review B, Vol. 92, Issue 19
Unexpected high inelastic phonon transport across solid-solid interface: Modal nonequilibrium molecular dynamics simulations and Landauer analysis
journal, January 2019
- Feng, Tianli; Zhong, Yang; Shi, Jingjing
- Physical Review B, Vol. 99, Issue 4
Quantitatively analyzing phonon spectral contribution of thermal conductivity based on nonequilibrium molecular dynamics simulations. II. From time Fourier transform
journal, November 2015
- Zhou, Yanguang; Hu, Ming
- Physical Review B, Vol. 92, Issue 19
Dynamics of Phononic Materials and Structures: Historical Origins, Recent Progress, and Future Outlook
journal, May 2014
- Hussein, Mahmoud I.; Leamy, Michael J.; Ruzzene, Massimo
- Applied Mechanics Reviews, Vol. 66, Issue 4
Approach to local thermodynamic equilibrium and the evolution to a glassy core following neutron/ion radiation impact
journal, August 2018
- Mei, Xiaojun; Mohamed, Walid; Eapen, Jacob
- Philosophical Magazine, Vol. 98, Issue 29
First-Principles Lattice Dynamics Method for Strongly Anharmonic Crystals
journal, April 2018
- Tadano, Terumasa; Tsuneyuki, Shinji
- Journal of the Physical Society of Japan, Vol. 87, Issue 4
Deducing Phonon Scattering from Normal Mode Excitations
journal, May 2019
- Raj, Anant; Eapen, Jacob
- Scientific Reports, Vol. 9, Issue 1
Beyond the Maxwell limit: Thermal conduction in nanofluids with percolating fluid structures
journal, December 2007
- Eapen, Jacob; Li, Ju; Yip, Sidney
- Physical Review E, Vol. 76, Issue 6
Spectral analysis of nonequilibrium molecular dynamics: Spectral phonon temperature and local nonequilibrium in thin films and across interfaces
journal, May 2017
- Feng, Tianli; Yao, Wenjun; Wang, Zuyuan
- Physical Review B, Vol. 95, Issue 19
Molecular Dynamics Simulation on Longitudinal Optical Phonon Mode Decay and Heat Transport in a Silicon Nano-Structure Covered with Oxide Films
journal, January 2011
- Zushi, Tomofumi; Kamakura, Yoshinari; Taniguchi, Kenji
- Japanese Journal of Applied Physics, Vol. 50
Predicting phonon dispersion relations and lifetimes from the spectral energy density
journal, February 2010
- Thomas, John A.; Turney, Joseph E.; Iutzi, Ryan M.
- Physical Review B, Vol. 81, Issue 8
Heat Transfer between Two Nanoparticles Through Near Field Interaction
journal, March 2005
- Domingues, Gilberto; Volz, Sebastian; Joulain, Karl
- Physical Review Letters, Vol. 94, Issue 8
Colloquium : Heat flow and thermoelectricity in atomic and molecular junctions
journal, March 2011
- Dubi, Yonatan; Di Ventra, Massimiliano
- Reviews of Modern Physics, Vol. 83, Issue 1
Predicting Phonon Properties from Equilibrium Molecular Dynamics Simulations
journal, January 2014
- McGaughey, Alan J. H.; Larkin, Jason M.
- Annual Review of Heat Transfer, Vol. 17, Issue N/A
Approaching the strongly anharmonic limit with ab initio calculations of materials’ vibrational properties – a colloquium*
journal, November 2016
- Errea, Ion
- The European Physical Journal B, Vol. 89, Issue 11
Thermal conductivity decomposition in two-dimensional materials: Application to graphene
journal, April 2017
- Fan, Zheyong; Pereira, Luiz Felipe C.; Hirvonen, Petri
- Physical Review B, Vol. 95, Issue 14
Sound and heat revolutions in phononics
journal, November 2013
- Maldovan, Martin
- Nature, Vol. 503, Issue 7475
Thermal conductivity of disordered harmonic solids
journal, November 1993
- Allen, Philip B.; Feldman, Joseph L.
- Physical Review B, Vol. 48, Issue 17
Anharmonicity and necessity of phonon eigenvectors in the phonon normal mode analysis
journal, May 2015
- Feng, Tianli; Qiu, Bo; Ruan, Xiulin
- Journal of Applied Physics, Vol. 117, Issue 19
Anomalous heat conduction in polyethylene chains: Theory and molecular dynamics simulations
journal, April 2009
- Henry, Asegun; Chen, Gang
- Physical Review B, Vol. 79, Issue 14
Analysis of nonlocal phonon thermal conductivity simulations showing the ballistic to diffusive crossover
journal, April 2018
- Allen, Philip B.
- Physical Review B, Vol. 97, Issue 13
Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides
journal, February 2014
- Errea, Ion; Calandra, Matteo; Mauri, Francesco
- Physical Review B, Vol. 89, Issue 6
Phononics in low-dimensional materials
journal, June 2012
- Balandin, Alexander A.; Nika, Denis L.
- Materials Today, Vol. 15, Issue 6
Nonequilibrium phonon mean free paths in anharmonic chains
journal, December 2015
- Sääskilahti, K.; Oksanen, J.; Volz, S.
- Physical Review B, Vol. 92, Issue 24
Molecular dynamics study of relaxons in the Fermi-Pasta-Ulam- model
journal, June 2018
- Gill-Comeau, Maxime; Lewis, Laurent J.
- Physical Review B, Vol. 97, Issue 24
Nanoscale thermal transport. II. 2003–2012
journal, March 2014
- Cahill, David G.; Braun, Paul V.; Chen, Gang
- Applied Physics Reviews, Vol. 1, Issue 1
Quantitative validation of the Boltzmann transport equation phonon thermal conductivity model under the single-mode relaxation time approximation
journal, March 2004
- McGaughey, A. J. H.; Kaviany, M.
- Physical Review B, Vol. 69, Issue 9
Vibrational mean free paths and thermal conductivity of amorphous silicon from non-equilibrium molecular dynamics simulations
journal, December 2016
- Sääskilahti, K.; Oksanen, J.; Tulkki, J.
- AIP Advances, Vol. 6, Issue 12
A simple nonequilibrium molecular dynamics method for calculating the thermal conductivity
journal, April 1997
- Müller-Plathe, Florian
- The Journal of Chemical Physics, Vol. 106, Issue 14
Energy-Flux Operator for a Lattice
journal, October 1963
- Hardy, Robert J.
- Physical Review, Vol. 132, Issue 1
Mechanism of Thermal Transport in Dilute Nanocolloids
journal, January 2007
- Eapen, Jacob; Li, Ju; Yip, Sidney
- Physical Review Letters, Vol. 98, Issue 2
Cross-correlations between phonon modes in anharmonic oscillator chains: Role in heat transport
journal, April 2014
- Gill-Comeau, Maxime; Lewis, Laurent J.
- Physical Review E, Vol. 89, Issue 4
On the importance of collective excitations for thermal transport in graphene
journal, May 2015
- Gill-Comeau, Maxime; Lewis, Laurent J.
- Applied Physics Letters, Vol. 106, Issue 19
Nonuniversal heat conduction of one-dimensional lattices
journal, February 2012
- Xiong, Daxing; Wang, Jiao; Zhang, Yong
- Physical Review E, Vol. 85, Issue 2
Spectral Phonon Transport Properties of Silicon Based on Molecular Dynamics Simulations and Lattice Dynamics
journal, February 2008
- Henry, Asegun S.; Chen, Gang
- Journal of Computational and Theoretical Nanoscience, Vol. 5, Issue 2
Removing artificial Kapitza effects from bulk thermal conductivity calculations in direct molecular dynamics
journal, May 2015
- Singh, Amit; Tadmor, Ellad B.
- Journal of Applied Physics, Vol. 117, Issue 18
Comparison of atomic-level simulation methods for computing thermal conductivity
journal, April 2002
- Schelling, Patrick K.; Phillpot, Simon R.; Keblinski, Pawel
- Physical Review B, Vol. 65, Issue 14
Anomalous Heat Diffusion
journal, January 2014
- Liu, Sha; Hänggi, Peter; Li, Nianbei
- Physical Review Letters, Vol. 112, Issue 4
Predicting phonon properties and thermal conductivity from anharmonic lattice dynamics calculations and molecular dynamics simulations
journal, February 2009
- Turney, J. E.; Landry, E. S.; McGaughey, A. J. H.
- Physical Review B, Vol. 79, Issue 6
Computation of the thermal conductivity using methods based on classical and quantum molecular dynamics
journal, January 2014
- Bedoya-Martínez, O. N.; Barrat, Jean-Louis; Rodney, David
- Physical Review B, Vol. 89, Issue 1
Role of anharmonic phonon scattering in the spectrally decomposed thermal conductance at planar interfaces
journal, October 2014
- Sääskilahti, K.; Oksanen, J.; Tulkki, J.
- Physical Review B, Vol. 90, Issue 13
Colloquium : Phononics: Manipulating heat flow with electronic analogs and beyond
journal, July 2012
- Li, Nianbei; Ren, Jie; Wang, Lei
- Reviews of Modern Physics, Vol. 84, Issue 3
Non-negligible Contributions to Thermal Conductivity From Localized Modes in Amorphous Silicon Dioxide
journal, October 2016
- Lv, Wei; Henry, Asegun
- Scientific Reports, Vol. 6, Issue 1
Lattice thermal conductivity: A comparison of molecular dynamics and anharmonic lattice dynamics
journal, October 1986
- Ladd, Anthony J. C.; Moran, Bill; Hoover, William G.
- Physical Review B, Vol. 34, Issue 8
Atomistic Modeling of Short Pulse Laser Ablation of Metals: Connections between Melting, Spallation, and Phase Explosion
journal, May 2009
- Zhigilei, Leonid V.; Lin, Zhibin; Ivanov, Dmitriy S.
- The Journal of Physical Chemistry C, Vol. 113, Issue 27
A microscopic formulation of the phonon transmission at the nanoscale
journal, July 2013
- Chalopin, Y.; Volz, S.
- Applied Physics Letters, Vol. 103, Issue 5
Prediction of Spectral Phonon Mean Free Path and Thermal Conductivity with Applications to Thermoelectrics and Thermal Management: A Review
journal, January 2014
- Feng, Tianli; Ruan, Xiulin
- Journal of Nanomaterials, Vol. 2014