The structural, magnetic, electronic, elastic and mechanical properties of full-Heusler
compounds Co 2 YAl (Y= Fe, Ti), in L2 1 type structure are determined using the density …

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 …

In order to improve the properties of Hf 2 Si, we design six transition metals (TM= Zr, Nb, Mo,
Tc, W and Re) doped in Hf 2 Si. The effect of TM elements on the properties of Hf 2 Si was …

Abstract X2-RE 2 SiO 5 orthosilicates are promising candidate environmental/thermal barrier
coating (ETBC) materials for silicon-based ceramics because of their excellent durability in …

Thermal stress (σ) plays a critical role in regulating the stability and durability of thermal
barrier coatings (TBCs) during service. However, its measurements are limited due to …

The low thermal conductivity (κ) has a significant impact on the application of thermal barrier
coatings (TBCs). Rare‐earth tantalates (RETaO4) are one kind of the most promising TBC …

The first-principles calculations are employed herein to predict the electronic, elastic, and
thermal properties, fracture toughness, and damage tolerance of TM 5 Si 3 B (TM= V and …

This study explored the phase stability of TM 3 AlC 2 (TM= Ti, Zr and Hf) and related ternary
competing MAX phases, as well as the elastic properties, ideal tensile strength, electronic …

Structural, mechanical and electronic properties of Laves phases Al 2 Zr and Al 2 Hf with
C14-type structure were investigated by performing the first-principle calculations. The …

Ceramic thermal barrier coatings (TBCs) have attracted significant research attention owing
to their utility in the thermally insulating alloy components of gas turbines and aircraft …