Effect of point defects on heat capacity of yttria-stabilized zirconia
UNSPECIFIED. (2003) Effect of point defects on heat capacity of yttria-stabilized zirconia. PHYSICAL REVIEW B, 68 (17). -. ISSN 1098-0121Full text not available from this repository.
Official URL: http://dx.doi.org/10.1103/PhysRevB.68.172106
First-principles calculation and anharmonic dynamical theory were applied in sequence to construct and exploit the double-well asymmetric potential used to model a large excess heat capacity observed in yttria-stabilized zirconia in comparison with the additive rule value. We introduce the vacancy-block model which, in combination with a detailed calculation, provides a key insight on how the excess heat capacity decays gradually with the Y2O3 doping when the number of blocks falls to its zero value at 33 mol% Y2O3.
|Item Type:||Journal Article|
|Subjects:||Q Science > QC Physics|
|Journal or Publication Title:||PHYSICAL REVIEW B|
|Publisher:||AMERICAN PHYSICAL SOC|
|Official Date:||November 2003|
|Number of Pages:||4|
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