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Title: Collective nature of phonon energies beyond harmonic oscillators

Journal Article · · Computational Materials Today

Not Available

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
2477871
Journal Information:
Computational Materials Today, Journal Name: Computational Materials Today Journal Issue: C Vol. 4; ISSN 2950-4635
Publisher:
ElsevierCopyright Statement
Country of Publication:
United Kingdom
Language:
English

References (33)

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Spectral phonon thermal properties in graphene nanoribbons journal November 2015
An efficient ab-initio quasiharmonic approach for the thermodynamics of solids journal July 2016
Survey of ab initio phonon thermal transport journal December 2018
Introduction to Lattice Dynamics book February 2010
Vibrational hierarchy leads to dual-phonon transport in low thermal conductivity crystals journal May 2020
Phonon-engineered extreme thermal conductivity materials journal March 2021
Sub-amorphous thermal conductivity in amorphous heterogeneous nanocomposites journal January 2016
GULP: A computer program for the symmetry-adapted simulation of solids journal January 1997
Predicting alloy vibrational mode properties using lattice dynamics calculations, molecular dynamics simulations, and the virtual crystal approximation journal July 2013
Phonon properties and thermal conductivity from first principles, lattice dynamics, and the Boltzmann transport equation journal January 2019
Effects of medium range order on propagon thermal conductivity in amorphous silicon journal January 2020
Thermal transport in defective and disordered materials journal September 2021
The effect of finite-temperature and anharmonic lattice dynamics on the thermal conductivity of ZrS2 monolayer: self-consistent phonon calculations journal August 2021
Scattering of Neutrons by an Anharmonic Crystal journal December 1962
Ultrasonic Attenuation in Dirty Dielectric Crystals journal November 1968
Computer simulation of local order in condensed phases of silicon journal April 1985
Lattice thermal conductivity: A comparison of molecular dynamics and anharmonic lattice dynamics journal October 1986
Predicting phonon properties and thermal conductivity from anharmonic lattice dynamics calculations and molecular dynamics simulations journal February 2009
Quasiballistic heat transfer studied using the frequency-dependent Boltzmann transport equation journal December 2011
Temperature dependent effective potential method for accurate free energy calculations of solids journal March 2013
Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides journal February 2014
Thermal conductivity accumulation in amorphous silica and amorphous silicon journal April 2014
Anharmonic phonon quasiparticle theory of zero-point and thermal shifts in insulators: Heat capacity, bulk modulus, and thermal expansion journal August 2015
Propagating elastic vibrations dominate thermal conduction in amorphous silicon journal January 2018
First-Principles Phonon Quasiparticle Theory Applied to a Strongly Anharmonic Halide Perovskite journal October 2022
Thermal Conductivity of Glasses: Theory and Application to Amorphous Si journal February 1989
Thermal Expansion and Grüneisen Parameters of Amorphous Silicon: A Realistic Model Calculation journal September 1997
Normal mode description of phases of matter: Application to heat capacity journal February 2024
Predicting Phonon Properties from Equilibrium Molecular Dynamics Simulations journal January 2014

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