Phonon mechanisms and transformation paths in Pu.

  title={Phonon mechanisms and transformation paths in Pu.},
  author={Turab Lookman and Avadh Saxena and Robert C. Albers},
  journal={Physical review letters},
  volume={100 14},
A long-standing problem in Pu science is the crystallographic mechanism for the delta-->alpha' (fcc-->monoclinic) transformation. Orientation relations between the two structures impose severe restrictions on the possible mechanisms and require the transition to be reconstructive, which we describe as a sequence of three displacive transitions: fcc-->trigonal-->hexagonal-->monoclinic. We predict instabilities along the Lambda and Sigma branches in the phonon dispersion of the delta phase and… CONTINUE READING