80 citations · 243 across the 7 of their papers we have counts for
Showing 2010Show all
2 papers · 1 filter
physics.chem-ph2010
Vacancy ordering effects on the conductivity of yttria- and scandia-doped zirconia
Dario Marrocchelli, Paul A Madden, Stefan T Norberg +1
Polarizable interaction potentials, parametrized using ab initio electronic structure calculations, have been used in molecular dynamics simulations to study the conduction mechani…
cond-mat.mtrl-sci2010★ 60 cited
High-pressure behaviour of GeO2: a simulation study
Dario Marrocchelli, Mathieu Salanne, Paul A Madden
In this work we study the high pressure behaviour of liquid and glassy GeO2 by means of molecular dynamics simulations. The interaction potential, which includes dipole polarizatio…