Crystal structure of actinide metals at high compression

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Description

The crystal structures of some light actinide metals are studied theoretically as a function of applied pressure. The first principles electronic structure theory is formulated in the framework of density functional theory, with the gradient corrected local density approximation of the exchange-correlation functional. The light actinide metals are shown to be well described as itinerant (metallic) f-electron metals and generally, they display a crystal structure which have, in agreement with previous theoretical suggestions, increasing degree of symmetry and closed-packing upon compression. The theoretical calculations agree well with available experimental data. At very high compression, the theory predicts closed-packed structures such ... continued below

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6 p.

Creation Information

Fast, L. & Soederlind, P. August 1, 1995.

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  • Fast, L. Uppsala Univ. (Sweden). Physics Dept.
  • Soederlind, P. Lawrence Livermore National Lab., CA (United States). Physics Dept.

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Description

The crystal structures of some light actinide metals are studied theoretically as a function of applied pressure. The first principles electronic structure theory is formulated in the framework of density functional theory, with the gradient corrected local density approximation of the exchange-correlation functional. The light actinide metals are shown to be well described as itinerant (metallic) f-electron metals and generally, they display a crystal structure which have, in agreement with previous theoretical suggestions, increasing degree of symmetry and closed-packing upon compression. The theoretical calculations agree well with available experimental data. At very high compression, the theory predicts closed-packed structures such as the fcc or the hcp structures or the nearly closed-packed bcc structure for the light actinide metals. A simple canonical band picture is presented to explain in which particular closed-packed form these metals will crystallize at ultra-high pressure.

Physical Description

6 p.

Notes

INIS; OSTI as DE96000104

Source

  • American Physical Society biennial conference on shock compression of condensed matter, Seattle, WA (United States), 13-18 Aug 1995

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  • Other: DE96000104
  • Report No.: UCRL-JC--121758
  • Report No.: CONF-950846--61
  • Grant Number: W-7405-ENG-48
  • DOI: 10.2172/113969 | External Link
  • Office of Scientific & Technical Information Report Number: 113969
  • Archival Resource Key: ark:/67531/metadc622678

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Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

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Creation Date

  • August 1, 1995

Added to The UNT Digital Library

  • June 16, 2015, 7:43 a.m.

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  • Feb. 16, 2016, 6:12 p.m.

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Fast, L. & Soederlind, P. Crystal structure of actinide metals at high compression, report, August 1, 1995; California. (digital.library.unt.edu/ark:/67531/metadc622678/: accessed September 21, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.