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Effect of point defects on heat capacity of yttria-stabilized zirconia
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UNSPECIFIED (2003) Effect of point defects on heat capacity of yttria-stabilized zirconia. PHYSICAL REVIEW B, 68 (17). -. doi:10.1103/PhysRevB.68.172106 ISSN 1098-0121.
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Official URL: http://dx.doi.org/10.1103/PhysRevB.68.172106
Abstract
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 | ||||
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Subjects: | Q Science > QC Physics | ||||
Journal or Publication Title: | PHYSICAL REVIEW B | ||||
Publisher: | AMERICAN PHYSICAL SOC | ||||
ISSN: | 1098-0121 | ||||
Official Date: | November 2003 | ||||
Dates: |
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Volume: | 68 | ||||
Number: | 17 | ||||
Number of Pages: | 4 | ||||
Page Range: | - | ||||
DOI: | 10.1103/PhysRevB.68.172106 | ||||
Publication Status: | Published |
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