ELECTRON CORRELATION AND PLUTONIUM PHASE DIAGRAMS

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The energy and entropy curves for unalloyed Pu mark the extent of our progress toward an understanding of the phase diagrams presented at the beginning of the paper; it is clear that there is still a long way to go. It would be desirable to evaluate the vibrational thermodynamic functions from measured phonon spectra. However, this may require the growth of single crystals, if the PDF method using powder diffraction proves impractical for Pu. The measurement of inelastic phonon densities of states from polycrystalline samples might be a practical method for all phases of Pu. Estimates of the electronic contributions ... continued below

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403 Kilobytes pages

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LAWSON, A.; ROBERTS, J. & AL, ET May 1, 2001.

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The energy and entropy curves for unalloyed Pu mark the extent of our progress toward an understanding of the phase diagrams presented at the beginning of the paper; it is clear that there is still a long way to go. It would be desirable to evaluate the vibrational thermodynamic functions from measured phonon spectra. However, this may require the growth of single crystals, if the PDF method using powder diffraction proves impractical for Pu. The measurement of inelastic phonon densities of states from polycrystalline samples might be a practical method for all phases of Pu. Estimates of the electronic contributions to the thermodynamics have been derived from the work of Wallace (1998). It would be of interest to compare these with theoretical estimates to evaluate the role of electron correlation in the phase stability of plutonium metal. As emphasized by Wallace, this will be an ''enormous challenge'' to electronic structure theory. In particular, we need a more predictive understanding of how narrow bands in Pu stabilize idiosyncratic crystal structures (Soederlind et al., 1995 and Soederlind, 1998) Materials Properties.

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403 Kilobytes pages

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  • Second International Workshop on Electron Correlations and, Rhodes (GR), 06/23/2001--06/30/2001

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  • Report No.: LA-UR-01-2587
  • Grant Number: W-7405-ENG-36
  • Office of Scientific & Technical Information Report Number: 780708
  • Archival Resource Key: ark:/67531/metadc720939

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  • May 1, 2001

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  • Sept. 29, 2015, 5:31 a.m.

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  • March 24, 2016, 9 p.m.

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LAWSON, A.; ROBERTS, J. & AL, ET. ELECTRON CORRELATION AND PLUTONIUM PHASE DIAGRAMS, article, May 1, 2001; New Mexico. (digital.library.unt.edu/ark:/67531/metadc720939/: accessed December 13, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.