Alloying effect on the lattice thermal conductivity of MNiSn half-Heusler alloys

Daniel Rabin, David Fuks, Yaniv Gelbstein

نتاج البحث: نشر في مجلةمقالةمراجعة النظراء

ملخص

The lattice thermal conductivity of MNiSn (M = Ti, Zr, Hf) half-Heusler (HH) alloys was studied. Ab initio DFT calculations were used for the calculation of the material physical properties. A combination of the Slack model and Klemens analytical alloying model was used to simulate the lattice thermal conductivity as a function of composition and temperature. Our results emphasize the major role of point defect scattering in a single-phase state of HH alloys because of the mixing of elements in the M-sub-lattice, especially at the high working temperature of the thermoelectric material. We performed a series of calculations from pure unalloyed compounds to multicomponent compositions with five elements in the M sub-lattice of (Ti, Zr, Hf, Al, Sc)NiSn.

اللغة الأصليةإنجليزيّة أمريكيّة
الصفحات (من إلى)520-528
عدد الصفحات9
دوريةPhysical Chemistry Chemical Physics
مستوى الصوت25
رقم الإصدار1
المعرِّفات الرقمية للأشياء
حالة النشرنُشِر - 8 ديسمبر 2022

All Science Journal Classification (ASJC) codes

  • !!General Physics and Astronomy
  • !!Physical and Theoretical Chemistry

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