4.7 Article

FourPhonon: An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity

Related references

Note: Only part of the references are listed.
Article Computer Science, Interdisciplinary Applications

Accelerating first-principles estimation of thermal conductivity by machine-learning interatomic potentials: A MTP/ShengBTE solution

Bohayra Mortazavi et al.

Summary: The study proposes an accelerated method for evaluating material thermal conductivity using machine learning, which is validated by comparing results with those obtained from full-DFT calculations. This MLIP-based method significantly accelerates and facilitates the estimation of lattice thermal conductivity.

COMPUTER PHYSICS COMMUNICATIONS (2021)

Article Physics, Multidisciplinary

Ultrahigh Thermal Conductivity of θ-Phase Tantalum Nitride

Ashis Kundu et al.

Summary: This study provides new insights into heat conduction in semimetallic solids, revealing that semimetallic theta-phase tantalum nitride (theta-TaN) has an ultrahigh thermal conductivity. Phonons are found to be the main heat carriers, and the high thermal conductivity relies on a combination of factors.

PHYSICAL REVIEW LETTERS (2021)

Article Thermodynamics

Thermal conductivity of silicon at elevated temperature: Role of four-phonon scattering and electronic heat conduction

Xiaokun Gu et al.

INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER (2020)

Article Multidisciplinary Sciences

The Hiphive Package for the Extraction of High-Order Force Constants by Machine Learning

Fredrik Eriksson et al.

ADVANCED THEORY AND SIMULATIONS (2019)

Article Multidisciplinary Sciences

Unusual high thermal conductivity in boron arsenide bulk crystals

Fei Tian et al.

SCIENCE (2018)

Article Multidisciplinary Sciences

Experimental observation of high thermal conductivity in boron arsenide

Joon Sang Kang et al.

SCIENCE (2018)

Article Multidisciplinary Sciences

High thermal conductivity in cubic boron arsenide crystals

Sheng Li et al.

SCIENCE (2018)

Article Physics, Applied

Anharmonic stabilization and lattice heat transport in rocksalt β-GeTe

Yi Xia et al.

APPLIED PHYSICS LETTERS (2018)

Article Materials Science, Multidisciplinary

Unified first-principles theory of thermal properties of insulators

Navaneetha K. Ravichandran et al.

PHYSICAL REVIEW B (2018)

Article Materials Science, Multidisciplinary

Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids

Tianli Feng et al.

PHYSICAL REVIEW B (2017)

Article Mathematics, Interdisciplinary Applications

MOMENT TENSOR POTENTIALS: A CLASS OF SYSTEMATICALLY IMPROVABLE INTERATOMIC POTENTIALS

Alexander V. Shapeev

MULTISCALE MODELING & SIMULATION (2016)

Article Materials Science, Multidisciplinary

Quantum mechanical prediction of four-phonon scattering rates and reduced thermal conductivity of solids

Tianli Feng et al.

PHYSICAL REVIEW B (2016)

Article Computer Science, Interdisciplinary Applications

ShengBTE: A solver of the Boltzmann transport equation for phonons

Wu Li et al.

COMPUTER PHYSICS COMMUNICATIONS (2014)

Article Physics, Condensed Matter

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

T. Tadano et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2014)

Article Physics, Multidisciplinary

Lattice Anharmonicity and Thermal Conductivity from Compressive Sensing of First-Principles Calculations

Fei Zhou et al.

PHYSICAL REVIEW LETTERS (2014)

Article Materials Science, Multidisciplinary

Heat transport in silicon from first-principles calculations

Keivan Esfarjani et al.

PHYSICAL REVIEW B (2011)

Article Materials Science, Multidisciplinary

Flexural phonons and thermal transport in graphene

L. Lindsay et al.

PHYSICAL REVIEW B (2010)

Article Physics, Applied

Intrinsic lattice thermal conductivity of semiconductors from first principles

D. A. Broido et al.

APPLIED PHYSICS LETTERS (2007)

Article Materials Science, Multidisciplinary

Spectral and Fermi surface properties from Wannier interpolation

Jonathan R. Yates et al.

PHYSICAL REVIEW B (2007)