2 papers
cond-mat.mtrl-sci2018
The Icosahedral (H Supermolecule
Graeme J. Ackland, Jack Binns, Ross Howie +1
We investigate a range of possible materials containing the supermolecular form of hydrogen comprising 13 hydrogen molecules arranged in an icosahedral arrangement. This supermolec…
cond-mat.mtrl-sci2011
First Principles Calculations of Defects in Unstable Crystals: Austenitic Iron
G. J. Ackland, T. P. C. Klaver, D. J. Hepburn
First principles calculations have given a new insight into the energies of point defects in many different materials, information which cannot be readily obtained from experiment.…