Sampling-accelerated prediction of phonon scattering rates for converged thermal conductivity and radiative properties

Z Guo, Z Han, D Feng, G Lin, X Ruan - npj Computational Materials, 2024 - nature.com
The prediction of thermal conductivity and radiative properties is crucial. However,
computing phonon scattering, especially for four-phonon scattering, could be prohibitively …

Electronic and phononic origins of BaSO4 as an ultra-efficient radiative cooling paint pigment

Z Tong, J Peoples, X Li, X Yang, H Bao, X Ruan - Materials Today Physics, 2022 - Elsevier
Radiative cooling has recently revived because of its significant potential for saving energy
and combating climate change. Several ultra-efficient particle-matrix cooling …

Observation of strong higher-order lattice anharmonicity in Raman and infrared spectra

X Yang, T Feng, JS Kang, Y Hu, J Li, X Ruan - Physical Review B, 2020 - APS
The fundamental theory of Raman and infrared (IR) linewidth has been well established as
the third-order lattice anharmonicity (three-phonon scattering). In this work, we use both …

Enhancing thermal conductivity of silicone rubber composites by in-situ constructing SiC networks: A finite-element study based on first principles calculation

D Ding, S Zhang, H Liang, X Wang, Y Wu, Y Ye, Z Liu… - Nano Research, 2023 - Springer
Polymer composites as thermal interface materials have been widely used in modern
electronic equipment. In this work, we report a novel method to prepare highly through-plane …

The study of the optical phonon frequency of 3C-SiC by molecular dynamics simulations with deep neural network potential

W Chen, LS Li - Journal of Applied Physics, 2021 - pubs.aip.org
In this work, we implement molecular dynamics (MD) simulations with deep neural network
(DNN) potential trained with the datasets from ab initio calculations to determine the …

First-principles predictions of temperature-dependent infrared dielectric function of polar materials by including four-phonon scattering and phonon frequency shift

Z Tong, X Yang, T Feng, H Bao, X Ruan - Physical Review B, 2020 - APS
Recently, first-principles calculations based on density functional theory have been widely
used to predict the temperature-dependent infrared spectrum of polar materials, but the …

Microstructure, thermal conductivity, and temperature-dependent infrared emissivity of divalent transition metal ions doped α-cordierite ceramics

H Zhang, H Jia, Y Wang, Y Zou, S Wang… - Materials Today …, 2022 - Elsevier
Highlights•The effect of three do** ions on the thermophysical properties of α-cordierite
are comparatively investigated.•The improved effect on thermophysical properties are …

Near unity broadband emissivity and ultralow thermal conductivity from yttrium niobate-based ceramics

G Chen, B Min, H Fu, S Ma, K Li, S Wang… - Chemical Engineering …, 2023 - Elsevier
Maximizing energy output via thermal radiation when blocking unfavored heat transfer
through thermal conduction is the main challenge of radiative thermal management for …

Surface quality evaluation of single crystal 4H-SiC wafer machined by hybrid laser-waterjet: Comparing with laser machining

S Feng, C Huang, J Wang, Z Jia - Materials Science in Semiconductor …, 2019 - Elsevier
Single crystal silicon carbide (SiC), as a 3rd generation semiconductor material, has a wide
application range and development prospect, especially in some key fields such as defense …

Sampling-accelerated First-principles Prediction of Phonon Scattering Rates for Converged Thermal Conductivity and Radiative Properties

Z Guo, Z Han, D Feng, G Lin, X Ruan - arxiv preprint arxiv:2311.12935, 2023 - arxiv.org
First-principles prediction of thermal conductivity and radiative properties is crucial.
However, computing phonon scattering, especially for four-phonon scattering, could be …