Thermal transfer in amorphous superionic <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Li</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi mathvariant="normal">S</mml:mi></mml:mrow></mml:math>
نویسندگان
چکیده
Using atomic simulations, we characterize the scattering time, nature, and weight of thermal excitations in example system ${\mathrm{Li}}_{2}\mathrm{S}$ from its amorphous solid state to superionic liquid states. For at 300 K, vibration time was found range a few femtoseconds several picoseconds. As result, both propagons diffusons are main heat carriers contribute largely total conductivity. The enhancement among vibrations between free ions' flow due increase temperature leads large reduction times acoustic vibrational conductivity, i.e., 0.8 W/mK K 0.56 700 K. In this latter state, conductivity contributed by convection increases half total, as result cross correlation virial flux one 1100 can be ($\ensuremath{\sim}1.5$ ps) yet, is reduced still significant fraction highlighting unexpected role transverse longitudinal vibrations. Our study provides fundamental understanding play materials liquid, including intermediate phase.
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ژورنال
عنوان ژورنال: Physical review
سال: 2021
ISSN: ['0556-2813', '1538-4497', '1089-490X']
DOI: https://doi.org/10.1103/physrevb.103.224204