34 citations · 34 across the 1 of their papers we have counts for
3 papers · 1 filter
Radiation damage effects on helium diffusion in zircon
Aaron Diver, Oliver Dicks, Alin Elena +3
We report the effects of radiation damage on helium diffusion in zircon using data from molecular dynamics simulations. We observe an increase in activation energy for helium diffu…
Radiation damage effects in amorphous zirconolite
Aaron Diver, Oliver Dicks, Alin Elena +2
We report the results of a large-scale modelling study of radiation damage effects in the nuclear waste form zirconolite. We particularly focus on the effects of radiation damage i…
The CECAM Electronic Structure Library and the modular software development paradigm
Micael J. T. Oliveira, Nick Papior, Yann Pouillon +34
First-principles electronic structure calculations are very widely used thanks to the many successful software packages available. Their traditional coding paradigm is monolithic,…