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 …

Survey of ab initio phonon thermal transport

L Lindsay, C Hua, XL Ruan, S Lee - Materials Today Physics, 2018 - Elsevier
The coupling of lattice dynamics and phonon transport methodologies with density
functional theory has become a powerful tool for calculating lattice thermal conductivity (κ) …

Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids

T Feng, L Lindsay, X Ruan - Physical Review B, 2017 - APS
For decades, the three-phonon scattering process has been considered to govern thermal
transport in solids, while the role of higher-order four-phonon scattering has been …

First-principles calculations of the ultralow thermal conductivity in two-dimensional group-IV selenides

PF Liu, T Bo, J Xu, W Yin, J Zhang, F Wang, O Eriksson… - Physical Review B, 2018 - APS
Through first-principles calculations, we report on the phonon-limited transport properties of
two-dimensional (2D) hexagonal MSe (M= Ge, Sn, and Pb) compounds, which can be seen …

Reduced anharmonic phonon scattering cross-section slows the decrease of thermal conductivity with temperature

X Yang, J Tiwari, T Feng - Materials Today Physics, 2022 - Elsevier
Without anharmonic phonon scattering, crystals could have infinite or “super” intrinsic bulk
thermal conductivity. Anharmonic phonon scattering rates usually increase with temperature …

Revealing the Origin of Anisotropic Rashba Spin‐Orbital Splitting and Four‐Phonon Scattering in Strontium‐Tin‐Selenium Thermoelectrics

S Bai, D Liu, H Shi, Y Qin, B Qin, T Hong… - Advanced Functional …, 2025 - Wiley Online Library
Inspired by the remarkable performance of SnSe‐based compounds in thermoelectrics, a
strontium‐tin‐selenium (SrSnSe2) compound is theoretically designed, observing …

Thermal transport in disordered materials

F DeAngelis, MG Muraleedharan, J Moon… - Nanoscale and …, 2019 - Taylor & Francis
We review the status of research on thermal/phonon transport in disordered materials. The
term disordered materials is used here to encompass both structural and compositional …

Critical phonon frequency renormalization and dual phonon coexistence in layered Ruddlesden-Popper inorganic perovskites

Z Zeng, C Chen, C Zhang, Q Zhang, Y Chen - Physical Review B, 2022 - APS
Phonon-related behaviors such as hot-carrier bottleneck and thermooptic coefficients
stimulate the study of lattice dynamics and thermal conductivity (κ) in perovskites. Herein, we …

Antibonding induced anharmonicity leading to ultralow lattice thermal conductivity and extraordinary thermoelectric performance in CsK 2 X (X= Sb, Bi)

K Yuan, X Zhang, Z Chang, D Tang… - Journal of Materials …, 2022 - pubs.rsc.org
Full Heusler compounds have long been discovered as exceptional n-type thermoelectric
materials. However, no p-type compounds could match the high n-type figure of merit (ZT). In …

First-principles prediction of the lattice thermal conductivity of two-dimensional (2D) h-BX (X= P, As, Sb) considering the effects of fourth-order and all-order scattering

S Bi, Z Chang, K Yuan, Z Sun, X Zhang… - Journal of Applied …, 2022 - pubs.aip.org
Recently, cubic boron arsenide (c-BAs) has attracted global attention due to its higher lattice
thermal conductivity (⁠ κ L⁠), which is comparable to diamond, and excellent thermal …