Inelastic neutron scattering measurements of individual phonon lifetimes and dispersion at 295 and 1200 K have been used to probe anharmonicity and thermal conductivity in UO2. They show that longitudinal optic phonon modes carry the largest amount of heat, in contrast to past simulations and that the total conductivity demonstrates a quantitative correspondence between microscopic and macroscopic phonon physics. We have further performed first-principles simulations for UO2 showing semiquantitative agreement with phonon lifetimes at 295 K, but larger anharmonicity than measured at 1200 K.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1103/PhysRevLett.110.157401 | DOI Listing |
J Am Chem Soc
January 2025
New Chemistry Unit, International Centre for Materials Science and School of Advanced Materials, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Bangalore, Jakkur P.O. 560064, India.
Seeking new and efficient thermoelectric materials requires a detailed comprehension of chemical bonding and structure in solids at microscopic levels, which dictates their intriguing physical and chemical properties. Herein, we investigate the influence of local structural distortion on the thermoelectric properties of TlCuS, a layered metal sulfide featuring edge-shared Cu-S tetrahedra within CuS layers. While powder X-ray diffraction suggests average crystallographic symmetry with no distortion in CuS tetrahedra, the synchrotron X-ray pair distribution function experiment exposes concealed local symmetry breaking, with dynamic off-centering distortions of the CuS tetrahedra.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
International Advanced Research Centre for Powder Metallurgy and New Materials (ARCI), IIT M Research Park, Chennai 600113, India.
The MgSb-based layered compounds exhibit exceptional thermoelectric properties over a wide temperature range and possess the potential to supplant traditional BiTe modules with reliable and economical MgSb-based thermoelectric devices, contingent upon the availability of a complementary p-type MgSb material with high thermoelectric efficiency comparable to that of n-type MgSb. We provide a simpler method involving the codoping of monovalent atoms (K and Na) at the Mg site of the MgSb lattice to improve the thermoelectric performance of p-type MgSb. K-Na codoping results in a peak power factor of around 0.
View Article and Find Full Text PDFNatl Sci Rev
January 2025
Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China.
Lattice thermal conductivity ( ) is of great importance in basic sciences and in energy conversion applications. However, low- crystalline materials have only been obtained from heavy elements, which typically exhibit poor stability and possible toxicity. Thus, low- materials composed of light elements should be explored.
View Article and Find Full Text PDFIUCrJ
January 2025
Dynamic Molecular Materials Laboratory, Department of Life Sciences, University of Modena and Reggio Emilia, Modena, 41125, Italy.
Understanding dynamic processes in molecular crystals is becoming crucial for the development of next-generation smart crystalline materials. In this context, Zwolenik & Makal [(2025). IUCrJ, 12, 23-35] shed light on the complex dynamics-structure-properties relation of a pyrene derivative by correlating molecular and lattice anharmonic vibrations with the unusual thermal expansion of the compound.
View Article and Find Full Text PDFiScience
November 2024
School of Electronic Information Engineering, Inner Mongolia University, Hohhot 010021, China.
The van der Waals thiophosphate GaPS presents additional opportunities for gallium-based semiconductors, but limited research on phonon interactions has hindered optimization on thermal properties. This research undertakes a comprehensive investigation into the anharmonic phonon scattering within GaPS. The findings reveal pronounced anharmonic scattering, with both cubic and quartic phonon scatterings significantly influencing phonon redshift and broadening.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!