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- 1. Phys. Rev. B 74, 214105 (2006) , “Atomistic simulations of radiation-induced defect formation in spinels: MgAl2O4, MgGa2O4, and MgIn2O4”, D. Bacorisen, Roger Smith, B. P. Uberuaga, K. E. Sickafus, J. A. Ball, and R. W. GrimesMolecular dynamics simulations of collision cascades were performed in three spinel oxides with varying inversion, namely normal magnesium aluminate, MgAl2O4, half-inverse magnesium gallate, MgGa2O4, and inverse magnesium indate,... (Read more)
- 2. Phys. Rev. B 74, 184117 (2006) , “Ab initio thermodynamic properties of point defects and O-vacancy diffusion in Mg spinels”, Zbigniew odziana and Jacek PiechotaWe report ab initio plane wave density functional theory studies of thermodynamic properties of isolated cation substitutions and oxygen vacancies in magnesium spinel, MgAl2O4. The formation enthalpy of Ca, Cu, and Zn substitutions of Mg cation indicate that transition... (Read more)
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Updated at 2010-07-20 16:50:39
Updated at 2010-07-20 16:50:39
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1329 | untagged |
Materials
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Others(101 tags)
Technique
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Details
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Bond(35 tags)
Defect(interstitial)(18 tags)
Defect(vacancy)(15 tags)
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Element(65 tags)
Energy(8 tags)
Isotope(56 tags)
Label(303 tags)
Sample(17 tags)
Spin(8 tags)
Symmetry(15 tags)