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- Title
First-Principles Thermochemistry and Thermodynamic Modeling of the Al.
- Authors
Saal, James E.; Dongwon Shin; Stevenson, Adam J.; Messing, Gary L.; Zi-Kui Liu
- Abstract
The Al2O3-Nd2O3-SiO2-Y2O3 pseudoquaternary system was thermodynamically modeled with a focus on the phase equilibria concerning the sintering of neodymium-doped yttrium aluminum garnet, Nd:YAG ((Y1-xNdx)3Al5O12). The Nd2O3-SiO2 and Nd2O3-Y2O3 systems were evaluated. Due to the lack of experimental thermochemical data, first-principles calculations were used to predict the enthalpy of formation of Nd2SiO5 and the enthalpy of mixing of Nd in YAG. Isothermal sections of the Al2O3-Nd2O3-SiO2, Al2O3-Nd2O3-Y2O3, and Nd2O3-SiO2-Y2O3 pseudoternary systems are presented.
- Subjects
THERMOCHEMISTRY; THERMODYNAMICS; ENTHALPY; ISOSTATIC pressing; IRON metallurgy
- Publication
Journal of the American Ceramic Society, 2010, Vol 93, Issue 12, p4158
- ISSN
0002-7820
- Publication type
Article
- DOI
10.1111/j.1551-2916.2010.03993.x