Article ID Journal Published Year Pages File Type
1475568 Journal of the European Ceramic Society 2013 5 Pages PDF
Abstract

Minimum lattice thermal conductivities and mechanical properties of polymorphous MPO4 (M = Al, Ga) are investigated by first principles calculations. The theoretical minimum thermal conductivities are found to be 1.02 W (m K)−1 for α-AlPO4, 1.20 W (m K)−1 for β-AlPO4, 0.87 W (m K)−1 for α-GaPO4 and 0.88 W (m K)−1 for β-GaPO4. The lower thermal conductivities in comparison to YSZ can be attributed to the lattice phonon scattering due to the framework of heterogeneous bonds. In addition, the low shear-to-bulk modulus ratio for both β-AlPO4 (0.38) and β-GaPO4 (0.30) is observed. Our results suggest their applications as light-weight thermal insulator and damage-tolerant/machinable ceramics.

Related Topics
Physical Sciences and Engineering Materials Science Ceramics and Composites
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