Actively and reversibly controlling thermal conductivity in solid materials
With the appearance of energy crisis, greenhouse effect, and heat management problem,
the control especially the active and reversible control of heat transport or thermal …
the control especially the active and reversible control of heat transport or thermal …
FourPhonon: An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
FourPhonon is a computational package that can calculate four-phonon scattering rates in
crystals. It is built within ShengBTE framework, which is a well-recognized lattice thermal …
crystals. It is built within ShengBTE framework, which is a well-recognized lattice thermal …
Accurate description of high-order phonon anharmonicity and lattice thermal conductivity from molecular dynamics simulations with machine learning potential
Y Ouyang, C Yu, J He, P Jiang, W Ren, J Chen - Physical Review B, 2022 - APS
Phonon anharmonicity is critical for accurately predicting the material's thermal conductivity
(κ). However, its calculation based on the perturbation theory is a difficult and time …
(κ). However, its calculation based on the perturbation theory is a difficult and time …
Ab initio Boltzmann approach to coupled magnon-phonon thermal transport in ferromagnetic crystals
We propose an ab initio Boltzmann transport approach taking into account magnon-phonon
scattering (MPS) and three-phonon scattering simultaneously to accurately evaluate the …
scattering (MPS) and three-phonon scattering simultaneously to accurately evaluate the …
Sampling-accelerated prediction of phonon scattering rates for converged thermal conductivity and radiative properties
The prediction of thermal conductivity and radiative properties is crucial. However,
computing phonon scattering, especially for four-phonon scattering, could be prohibitively …
computing phonon scattering, especially for four-phonon scattering, could be prohibitively …
Four-phonon scattering effect and two-channel thermal transport in two-dimensional paraelectric SnSe
In recent years, increased attention has been paid to the study of four-phonon interactions
and diffusion transport in three-dimensional (3D) thermoelectric materials because they play …
and diffusion transport in three-dimensional (3D) thermoelectric materials because they play …
High thermal conductivity of wurtzite boron arsenide predicted by including four-phonon scattering with machine learning potential
Materials with high thermal conductivity are of great importance to the thermal management
of modern electronic devices. Recently, it was found that cubic boron arsenide (c-BAs) is a …
of modern electronic devices. Recently, it was found that cubic boron arsenide (c-BAs) is a …
Softened bonding network leads to strong anharmonicity and weak hydrodynamics in graphene+
Graphene+, a novel carbon monolayer with sp 2-sp 3 hybridization, was recently reported to
exhibit unprecedented out-of-plane half-auxetic behavior and graphenelike Dirac properties …
exhibit unprecedented out-of-plane half-auxetic behavior and graphenelike Dirac properties …
Effects of thermal expansion and four-phonon interactions on the lattice thermal conductivity of the negative thermal expansion material
This work systematically investigates the lattice dynamics and phonon thermal transport
behavior of the typical negative thermal expansion (NTE) material, cubic ScF 3. By …
behavior of the typical negative thermal expansion (NTE) material, cubic ScF 3. By …
Low lattice thermal conductivity with two-channel thermal transport in the superatomic crystal
Designing novel crystalline materials composed of light and nontoxic elements, but with
ultralow thermal conductivity insensitive to temperature, has been a long-standing …
ultralow thermal conductivity insensitive to temperature, has been a long-standing …