103 citations · 222 across the 4 of their papers we have counts for
4 papers
Giant electrocaloric effect at the antiferroelectric-to-ferroelectric phase boundary in PbZrTiO
A. V. Kimmel, O. T. Gindele, D. M. Duffy +1
Molecular dynamics simulations predict a giant electrocaloric effect at the ferroelectric-antiferroelectric phase boundary in PZT (PbTiO-PbZrO). These large-scale simulatio…
Electronic effects in high-energy radiation damage in iron
Eva Zarkadoula, Szymon Daraszewicz, Dorothy M. Duffy +5
Electronic effects are believed to be important in high--energy radiation damage processes where high electronic temperature is expected, yet their effects are not currently unders…
The nature of high-energy radiation damage in iron: Modeling results
Eva Zarkadoula, Martin T. Dove, Szymon L. Daraszewicz +5
Understanding and predicting a material's performance in response to high-energy radiation damage, as well as designing future materials to be used in intense radiation environment…
An ab initio study of intrinsic defects in zirconolite
Jack Mulroue, Andrew J. Morris, Dorothy M. Duffy
Zirconolite, CaZrTi2O7, is a proposed ceramic for the use in disposal of highly active nuclear waste. Density functional theory (DFT) has been used, in conjunction with a random se…