Lattice relaxation and the stability of plutonium-based alloys and intermetallics

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The topic of this study is the electronic structure of the compounds Pu{sub 3}X [X = In, Ga, Al, or Tl], reported to have room temperature L1{sub 2} structures. The measured Pu-Pu bond length in {delta}-phase Pu is 3.28 {Angstrom}. The Pu-Pu bond lengths in Pu{sub 3}Ga and Pu{sub 3}Al are 3.18 {Angstrom}. The similarity in bonding in Pu{sub 3}Ga and Pu{sub 3}Al is especially notable as the equilibrium atomic volume in Ga is 18% higher than that of Al. Likewise, in Pu{sub 3}In and Pu{sub 3}Tl the bond lengths are 3.33 {Angstrom} and 3.32 {Angstrom}, respectively, although the atomic ... continued below

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6 p.

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Becker, J.D.; Cox, L.; Wills, J.M. & Cooper, B.R. December 1, 1996.

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Description

The topic of this study is the electronic structure of the compounds Pu{sub 3}X [X = In, Ga, Al, or Tl], reported to have room temperature L1{sub 2} structures. The measured Pu-Pu bond length in {delta}-phase Pu is 3.28 {Angstrom}. The Pu-Pu bond lengths in Pu{sub 3}Ga and Pu{sub 3}Al are 3.18 {Angstrom}. The similarity in bonding in Pu{sub 3}Ga and Pu{sub 3}Al is especially notable as the equilibrium atomic volume in Ga is 18% higher than that of Al. Likewise, in Pu{sub 3}In and Pu{sub 3}Tl the bond lengths are 3.33 {Angstrom} and 3.32 {Angstrom}, respectively, although the atomic volumes of In and Tl differ by 10%. The electronic mechanism by which the 8 stabilizers Al and Ga contract the Pu-Pu bonds and whereby In and Tl stretch them may relate the stability of pure Pu to that of the Pu{sub 3}X compounds. For example, does the addition of Ga or Al shorten the bond length enough to make the close-packed Ll{sub 2} structure more stable than does the addition of In or Tl? The incipient localization of the f electrons and the stabilization of open structures may be indicated through LDA total energies and densities of states.

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6 p.

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INIS; OSTI as DE97001708

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  • NATO Advanced Study Institute on actinides and the environment, Crete (Greece), 7-19 Jul 1996

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  • Other: DE97001708
  • Report No.: LA-UR--96-3553
  • Report No.: CONF-9607139--5
  • Grant Number: W-7405-ENG-36
  • Office of Scientific & Technical Information Report Number: 414633
  • Archival Resource Key: ark:/67531/metadc685247

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  • December 1, 1996

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  • July 25, 2015, 2:20 a.m.

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  • May 20, 2016, 1:27 p.m.

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Becker, J.D.; Cox, L.; Wills, J.M. & Cooper, B.R. Lattice relaxation and the stability of plutonium-based alloys and intermetallics, article, December 1, 1996; New Mexico. (digital.library.unt.edu/ark:/67531/metadc685247/: accessed October 18, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.