Showing 1 - 1 of 1 UKAEA Paper Results
2016
CCFE-PR(16)02
M.L. Jackson P.A. Burr R.W. Grimes
There has been considerable controversy regarding the structure of TiBe12, which is variously reported as hexagonal and tetragonal. Lattice dynamics simulations based on density functional theory show the tetragonal phase space group I4/mmm to be more stable over all temperatures, while the hexagonal phase exhibits an imaginary phonon mode, which, …
Preprint Published