Using Green-Kubo modal analysis (GKMA) and interface conductance modal analysis (ICMA) to study phonon transport with molecular dynamics

The Importance of Phonons with Negative Phase Quotient in Disordered Solids

(2018) Hamid Reza Seyf et al.   Scientific Reports

Phonon transport at interfaces between different phases of silicon and germanium

(2017) Kiarash Gordiz et al.   JOURNAL OF APPLIED PHYSICS

Rethinking phonons: The issue of disorder

(2017) Hamid Reza Seyf et al.   npj Computational Materials

Empirical interatomic potentials optimized for phonon properties

(2017) Andrew Rohskopf et al.   npj Computational Materials

Interface conductance modal analysis of lattice matched InGaAs/InP

(2016) Kiarash Gordiz et al.   APPLIED PHYSICS LETTERS

Phonon transport in amorphous carbon using Green–Kubo modal analysis

(2016) Wei Lv et al.   APPLIED PHYSICS LETTERS

Phonon transport at interfaces: Determining the correct modes of vibration

(2016) Kiarash Gordiz et al.   JOURNAL OF APPLIED PHYSICS

A method for distinguishing between propagons, diffusions, and locons

(2016) Hamid Reza Seyf et al.   JOURNAL OF APPLIED PHYSICS

Effect of crystalline/amorphous interfaces on thermal transport across confined thin films and superlattices

(2016) Ashutosh Giri et al.   JOURNAL OF APPLIED PHYSICS

Direct calculation of modal contributions to thermal conductivity via Green–Kubo modal analysis

(2016) Wei Lv et al.   NEW JOURNAL OF PHYSICS

Thermal conductivity measurements of non-metals via combined time- and frequency-domain thermoreflectance without a metal film transducer

(2016) L. Wang et al.   REVIEW OF SCIENTIFIC INSTRUMENTS

First-principles calculations of thermal, electrical, and thermoelectric transport properties of semiconductors

(2016) Jiawei Zhou et al.   SEMICONDUCTOR SCIENCE AND TECHNOLOGY

Examining the Validity of the Phonon Gas Model in Amorphous Materials

(2016) Wei Lv et al.   Scientific Reports

Spectral Phonon Transport Properties of Silicon Based on Molecular Dynamics Simulations and Lattice Dynamics

(2016) Asegun S. Henry et al.   Journal of Computational and Theoretical Nanoscience

Phonon Transport at Crystalline Si/Ge Interfaces: The Role of Interfacial Modes of Vibration

(2016) Kiarash Gordiz et al.   Scientific Reports

Non-negligible Contributions to Thermal Conductivity From Localized Modes in Amorphous Silicon Dioxide

(2016) Wei Lv et al.   Scientific Reports

Ensemble averaging vs. time averaging in molecular dynamics simulations of thermal conductivity

(2015) Kiarash Gordiz et al.   JOURNAL OF APPLIED PHYSICS

Kapitza resistance and the thermal conductivity of amorphous superlattices

(2015) Ashutosh Giri et al.   JOURNAL OF APPLIED PHYSICS

A formalism for calculating the modal contributions to thermal interface conductance

(2015) Kiarash Gordiz et al.   NEW JOURNAL OF PHYSICS

Self-consistent phonon calculations of lattice dynamical properties in cubicSrTiO3with first-principles anharmonic force constants

(2015) Terumasa Tadano et al.   PHYSICAL REVIEW B

Frequency-dependent phonon mean free path in carbon nanotubes from nonequilibrium molecular dynamics

(2015) K. Sääskilahti et al.   PHYSICAL REVIEW B

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

(2015) Yanguang Zhou et al.   PHYSICAL REVIEW B

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Probing and tuning inelastic phonon conductance across finite-thickness interface

(2014) Takuru Murakami et al.   Applied Physics Express

Thermal rectification in pristine-hydrogenated carbon nanotube junction: A molecular dynamics study

(2014) Kiarash Gordiz et al.   JOURNAL OF APPLIED PHYSICS

The importance of anharmonicity in thermal transport across solid-solid interfaces

(2014) Xufei Wu et al.   JOURNAL OF APPLIED PHYSICS

Prediction of Spectral Phonon Mean Free Path and Thermal Conductivity with Applications to Thermoelectrics and Thermal Management: A Review

(2014) Tianli Feng et al.   Journal of Nanomaterials

Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations

(2014) T Tadano et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Role of anharmonic phonon scattering in the spectrally decomposed thermal conductance at planar interfaces

(2014) K. Sääskilahti et al.   PHYSICAL REVIEW B

Computational Study of In-Plane Phonon Transport in Si Thin Films

(2014) Xinjiang Wang et al.   Scientific Reports

Nanoscale thermal transport. II. 2003–2012

(2014) David G. Cahill et al.   Applied Physics Reviews

A microscopic formulation of the phonon transmission at the nanoscale

(2013) Y. Chalopin et al.   APPLIED PHYSICS LETTERS

Comparison and Evaluation of Spectral Energy Methods for Predicting Phonon Properties

(2013) J. M. Larkin et al.   Journal of Computational and Theoretical Nanoscience

Ab initiothermal transport in compound semiconductors

(2013) L. Lindsay et al.   PHYSICAL REVIEW B

Thermal interface conductance in Si/Ge superlattices by equilibrium molecular dynamics

(2012) Y. Chalopin et al.   PHYSICAL REVIEW B

Enhancing and tuning phonon transport at vibrationally mismatched solid-solid interfaces

(2012) Timothy S. English et al.   PHYSICAL REVIEW B

Interface thermal resistance and thermal rectification in hybrid graphene-graphane nanoribbons: A nonequilibrium molecular dynamics study

(2011) A. Rajabpour et al.   APPLIED PHYSICS LETTERS

On the importance of optical phonons to thermal conductivity in nanostructures

(2011) Zhiting Tian et al.   APPLIED PHYSICS LETTERS

Heat transport in silicon from first-principles calculations

(2011) Keivan Esfarjani et al.   PHYSICAL REVIEW B

Frequency and polarization dependence of thermal coupling between carbon nanotubes and SiO2

(2010) Zhun-Yong Ong et al.   JOURNAL OF APPLIED PHYSICS

Phonon wave-packet simulations of Ar/Kr interfaces for thermal rectification

(2010) N. A. Roberts et al.   JOURNAL OF APPLIED PHYSICS

Anomalous heat conduction in polyethylene chains: Theory and molecular dynamics simulations

(2009) Asegun Henry et al.   PHYSICAL REVIEW B

Thermal boundary resistance predictions from molecular dynamics simulations and theoretical calculations

(2009) E. S. Landry et al.   PHYSICAL REVIEW B

Assessing the applicability of quantum corrections to classical thermal conductivity predictions

(2009) J. E. Turney et al.   PHYSICAL REVIEW B

Kapitza conductance of silicon–amorphous polyethylene interfaces by molecular dynamics simulations

(2009) Ming Hu et al.   PHYSICAL REVIEW B

High Thermal Conductivity of Single Polyethylene Chains Using Molecular Dynamics Simulations

(2008) Asegun Henry et al.   PHYSICAL REVIEW LETTERS