Insights into low thermal conductivity in inorganic materials for thermoelectrics

T Ghosh, M Dutta, D Sarkar… - Journal of the American …, 2022 - ACS Publications
Efficient manipulation of thermal conductivity and fundamental understanding of the
microscopic mechanisms of phonon scattering in crystalline solids are crucial to achieve …

Thermal energy transport in oxide nuclear fuel

DH Hurley, A El-Azab, MS Bryan, MWD Cooper… - Chemical …, 2021 - ACS Publications
To efficiently capture the energy of the nuclear bond, advanced nuclear reactor concepts
seek solid fuels that must withstand unprecedented temperature and radiation extremes. In …

Multifidelity deep neural operators for efficient learning of partial differential equations with application to fast inverse design of nanoscale heat transport

L Lu, R Pestourie, SG Johnson, G Romano - Physical Review Research, 2022 - APS
Deep neural operators can learn operators mapping between infinite-dimensional function
spaces via deep neural networks and have become an emerging paradigm of scientific …

Single-defect phonons imaged by electron microscopy

X Yan, C Liu, CA Gadre, L Gu, T Aoki, TC Lovejoy… - Nature, 2021 - nature.com
Crystal defects affect the thermal and heat-transport properties of materials by scattering
phonons and modifying phonon spectra,,,,,,–. To appreciate how imperfections in solids …

Thermal transport in defective and disordered materials

R Hanus, R Gurunathan, L Lindsay, MT Agne… - Applied Physics …, 2021 - pubs.aip.org
With significant recent advancements in thermal sciences—such as the development of new
theoretical and experimental techniques, and the discovery of new transport mechanisms—it …

Charting lattice thermal conductivity for inorganic crystals and discovering rare earth chalcogenides for thermoelectrics

T Zhu, R He, S Gong, T Xie, P Gorai… - Energy & …, 2021 - pubs.rsc.org
Thermoelectric power generation represents a promising approach to utilize waste heat. The
most effective thermoelectric materials exhibit low thermal conductivity κ. However, less than …

Phonon thermal Hall effect in strontium titanate

X Li, B Fauqué, Z Zhu, K Behnia - Physical review letters, 2020 - APS
It has been known for more than a decade that phonons can produce an off-diagonal
thermal conductivity in the presence of a magnetic field. Recent studies of thermal Hall …

Unlocking phonon properties of a large and diverse set of cubic crystals by indirect bottom-up machine learning approach

A Rodriguez, C Lin, C Shen, K Yuan… - Communications …, 2023 - nature.com
Although first principles based anharmonic lattice dynamics is one of the most common
methods to obtain phonon properties, such method is impractical for high-throughput search …

Thermal conductivity prediction by atomistic simulation methods: Recent advances and detailed comparison

X Gu, Z Fan, H Bao - Journal of Applied Physics, 2021 - pubs.aip.org
Atomistic simulation methods, including anharmonic lattice dynamics combined with the
Boltzmann transport equation, equilibrium and non-equilibrium molecular dynamics …

Phonon anharmonicity: a pertinent review of recent progress and perspective

B Wei, Q Sun, C Li, J Hong - Science China Physics, Mechanics & …, 2021 - Springer
Anharmonic lattice vibrations play pivotal roles in the thermal dynamics in condense matters
and affect how the atoms interact and conduct heat. An in-depth understanding of the …