122 citations · 759 across the 18 of their papers we have counts for
Showing 2012 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2012★ 23 cited
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…
cond-mat.mtrl-sci2012★ 23 cited
Energetics of hydrogen/lithium complexes in silicon analyzed using the Maxwell construction
Andrew J. Morris, C. P. Grey, R. J. Needs +1
We have studied hydrogen/lithium complexes in crystalline silicon using density-functional-theory methods and the ab initio random structure searching (AIRSS) method for predicting…