Structure, Stoichiometry and Stability in Magnetoplumbite and {beta}-Alumina Structured Type Ceramics. Final Report

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Work has been completed on the atomistic simulation of hexa-aluminate ceramics with the magnetoplumbite and beta-alumina type structures. In this report, three aspects of the work are highlighted. One is the simulation of surface structures. The second concerns details of the interstitially mechanisms observed in molecular dynamics simulations. The novel result here is the observation that the lattice ion always leaves its Beevers-Ross site before the aBR interstitial begins to move towards the lattice site. It is also found that, as expected, the interstitial mechanism is the most common mechanism in the heavily disordered nonstoichiometric structure, as well as in ... continued below

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Cormack, A. N. March 1, 2004.

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This report is part of the collection entitled: Office of Scientific & Technical Information Technical Reports and was provided by UNT Libraries Government Documents Department to Digital Library, a digital repository hosted by the UNT Libraries. It has been viewed 32 times . More information about this report can be viewed below.

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Description

Work has been completed on the atomistic simulation of hexa-aluminate ceramics with the magnetoplumbite and beta-alumina type structures. In this report, three aspects of the work are highlighted. One is the simulation of surface structures. The second concerns details of the interstitially mechanisms observed in molecular dynamics simulations. The novel result here is the observation that the lattice ion always leaves its Beevers-Ross site before the aBR interstitial begins to move towards the lattice site. It is also found that, as expected, the interstitial mechanism is the most common mechanism in the heavily disordered nonstoichiometric structure, as well as in the stoichiometric material. Finally, the disposition of trivalent europium in the phosphor material BAM has been elucidated.

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OSTI as DE00825870

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  • Other Information: PBD: 1 Mar 2004

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  • Report No.: DOE/ER/45451-11
  • Grant Number: FG02-91ER45451
  • DOI: 10.2172/825870 | External Link
  • Office of Scientific & Technical Information Report Number: 825870
  • Archival Resource Key: ark:/67531/metadc779202

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  • March 1, 2004

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  • Dec. 3, 2015, 9:30 a.m.

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  • Aug. 4, 2016, 7:55 p.m.

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Cormack, A. N. Structure, Stoichiometry and Stability in Magnetoplumbite and {beta}-Alumina Structured Type Ceramics. Final Report, report, March 1, 2004; United States. (digital.library.unt.edu/ark:/67531/metadc779202/: accessed November 19, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.