Exact diagonal representation of normal mode energy, occupation number, and heat current for phonon-dominated thermal transport

Raj, Anant; Eapen, Jacob

doi:10.1063/1.5099936

Title: 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:: 2019-09-14

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.

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                    Raj, Anant, & Eapen, Jacob. Exact diagonal representation of normal mode energy, occupation number, and heat current for phonon-dominated thermal transport.  United States.  https://doi.org/10.1063/1.5099936

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                    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.  https://doi.org/10.1063/1.5099936.

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@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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Title: Exact diagonal representation of normal mode energy, occupation number, and heat current for phonon-dominated thermal transport

Citation Formats

Phonon dispersion using the ratio of zero-time correlations among conjugate variables: Computing full phonon dispersion surface of graphene journal, May 2019

Quantitatively analyzing phonon spectral contribution of thermal conductivity based on nonequilibrium molecular dynamics simulations. I. From space Fourier transform journal, November 2015

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Beyond the Maxwell limit: Thermal conduction in nanofluids with percolating fluid structures journal, December 2007

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Molecular Dynamics Simulation on Longitudinal Optical Phonon Mode Decay and Heat Transport in a Silicon Nano-Structure Covered with Oxide Films journal, January 2011

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Colloquium : Heat flow and thermoelectricity in atomic and molecular junctions journal, March 2011

Approaching the strongly anharmonic limit with ab initio calculations of materials’ vibrational properties – a colloquium* journal, November 2016

Thermal conductivity decomposition in two-dimensional materials: Application to graphene journal, April 2017

Sound and heat revolutions in phononics journal, November 2013

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Anomalous heat conduction in polyethylene chains: Theory and molecular dynamics simulations journal, April 2009

Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides journal, February 2014

Nonequilibrium phonon mean free paths in anharmonic chains journal, December 2015

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Vibrational mean free paths and thermal conductivity of amorphous silicon from non-equilibrium molecular dynamics simulations journal, December 2016

A simple nonequilibrium molecular dynamics method for calculating the thermal conductivity journal, April 1997

Energy-Flux Operator for a Lattice journal, October 1963

Mechanism of Thermal Transport in Dilute Nanocolloids journal, January 2007

Cross-correlations between phonon modes in anharmonic oscillator chains: Role in heat transport journal, April 2014

On the importance of collective excitations for thermal transport in graphene journal, May 2015

Nonuniversal heat conduction of one-dimensional lattices journal, February 2012

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journal, May 2019

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journal, November 2015

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Unexpected high inelastic phonon transport across solid-solid interface: Modal nonequilibrium molecular dynamics simulations and Landauer analysis
journal, January 2019

Quantitatively analyzing phonon spectral contribution of thermal conductivity based on nonequilibrium molecular dynamics simulations. II. From time Fourier transform
journal, November 2015

Dynamics of Phononic Materials and Structures: Historical Origins, Recent Progress, and Future Outlook
journal, May 2014

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journal, August 2018

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journal, May 2019

Beyond the Maxwell limit: Thermal conduction in nanofluids with percolating fluid structures
journal, December 2007

Spectral analysis of nonequilibrium molecular dynamics: Spectral phonon temperature and local nonequilibrium in thin films and across interfaces
journal, May 2017

Molecular Dynamics Simulation on Longitudinal Optical Phonon Mode Decay and Heat Transport in a Silicon Nano-Structure Covered with Oxide Films
journal, January 2011

Heat Transfer between Two Nanoparticles Through Near Field Interaction
journal, March 2005

Colloquium : Heat flow and thermoelectricity in atomic and molecular junctions
journal, March 2011

Approaching the strongly anharmonic limit with ab initio calculations of materials’ vibrational properties – a colloquium*
journal, November 2016

Thermal conductivity decomposition in two-dimensional materials: Application to graphene
journal, April 2017

Sound and heat revolutions in phononics
journal, November 2013

Thermal conductivity of disordered harmonic solids
journal, November 1993

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journal, May 2015

Anomalous heat conduction in polyethylene chains: Theory and molecular dynamics simulations
journal, April 2009

Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides
journal, February 2014

Nonequilibrium phonon mean free paths in anharmonic chains
journal, December 2015

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journal, June 2018

Nanoscale thermal transport. II. 2003–2012
journal, March 2014

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journal, March 2004

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journal, December 2016

A simple nonequilibrium molecular dynamics method for calculating the thermal conductivity
journal, April 1997

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journal, October 1963

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journal, January 2007

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journal, April 2014

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journal, May 2015

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journal, February 2012

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journal, February 2008

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journal, May 2015

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book, January 2004

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journal, April 2002

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journal, January 2014

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journal, February 2009

Role of anharmonic phonon scattering in the spectrally decomposed thermal conductance at planar interfaces
journal, October 2014

Colloquium : Phononics: Manipulating heat flow with electronic analogs and beyond
journal, July 2012

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journal, October 2016

Atomistic Modeling of Short Pulse Laser Ablation of Metals: Connections between Melting, Spallation, and Phase Explosion
journal, May 2009

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journal, July 2013

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journal, January 2014