%0 Journal Article
%T Intrinsic Thermal Shock Behavior of Common Rutile Oxides
%J Physics | An Open Access Journal from MDPI
%D 2019
%R https://doi.org/10.3390/physics1020022
%X Rutile TiO 2, VO 2, CrO 2, MnO 2, NbO 2, RuO 2, RhO 2, TaO 2, OsO 2, IrO 2, SnO 2, PbO 2, SiO 2, and GeO 2 (space group P4 2/ mnm) were explored for thermal shock resistance applications using density functional theory in conjunction with acoustic phonon models. Four relevant thermomechanical properties were calculated, namely thermal conductivity, Poisson¡¯s ratio, the linear coefficient of thermal expansion, and elastic modulus. The thermal conductivity exhibited a parabolic relationship with the linear coefficient of thermal expansion and the extremes were delineated by SiO 2 (the smallest linear coefficient of thermal expansion and the largest thermal conductivity) and PbO 2 (vice versa). It is suggested that stronger bonding in SiO 2 than PbO 2 is responsible for such behavior. This also gave rise to the largest elastic modulus of SiO 2 in this group of rutile oxides. Finally, the intrinsic thermal shock resistance was the largest for SiO 2, exceeding some of the competitive phases such as Al 2O 3 and nanolaminated Ti 3SiC 2. View Full-Tex
%U https://www.mdpi.com/2624-8174/1/2/22