First principles calculations for defects in U.

@article{Beeler2010FirstPC,
  title={First principles calculations for defects in U.},
  author={Benjamin Beeler and Bill Good and S. Rashkeev and Chaitanya S. Deo and M I Baskes and Maria A. Okuniewski},
  journal={Journal of physics. Condensed matter : an Institute of Physics journal},
  year={2010},
  volume={22 50},
  pages={505703}
}
Uranium (U) exhibits a high temperature body-centered cubic (bcc) allotrope that is often stabilized by alloying with transition metals such as Zr, Mo, and Nb for technological applications. One such application involves U-Zr as nuclear fuel, where radiation damage and diffusion (processes heavily dependent on point defects) are of vital importance. Several systems of U are examined within a density functional theory framework utilizing projector augmented wave pseudopotentials. Two separate… CONTINUE READING
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References

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Atomistic Calculations of Fundamental Physical Properties of Uranium

  • B Good, B Beeler, C Deo, M Baskes, M Okuniewski
  • Proc. Conf. Plutonium Futures—The Science 2010…
  • 2010
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Atomistic Calculations of Fundamental Physical Properties of Uranium Proc

  • B Good, B Beeler, C Deo, M Baskes, M Okuniewski
  • Conf . Plutonium Futures — The Science
  • 2010

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