In this work, we use first-principles calculations to predict the structural electronic, elastic,
and thermal properties of TM 5 Si 3 C (TM= Ti, Cr, Y) carbides. The calculated formation …

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Abstract Machine-learned interatomic potentials enable realistic finite temperature
calculations of complex materials properties with first-principles accuracy. It is not yet clear …

Zirconates with high melting points were investigated for application as materials for thermal
barrier coatings at operating temperatures> 1300° C. SrZrO3, BaZrO3, and La2Zr2O7 …

Improved thermal barrier coatings (TBCs) will enable future gas turbines to operate at higher
gas temperatures. Considerable effort is being invested, therefore, in identifying new …

Incorporation of porosity into a monolithic material decreases the effective thermal
conductivity. Porous ceramics were prepared by different methods to achieve pore volume …

The thermal conductivity of dense and porous yttria-stabilized zirconia (YSZ) ceramics has
been measured as a function of temperature in the range 25 to 1000° C. The dense …

Rare‐earth zirconates have been identified as a class of low‐thermal‐conductivity ceramics
for possible use in thermal barrier coatings (TBCs) for gas‐turbine engine applications. To …

During the current study, structural, electrical, elastic, and thermal properties of TM 5 Si 3 N
(TM= V, Nb, and Ta) Nowotny phase were researched using first-principles calculations. The …

Thermoelectric power generation technology is now expected to help overcome global
warming and climate change issues by recovering and converting waste heat into electricity …