First-principles prediction of the thermodynamic stability of xenon in monoclinic, tetragonal, and yttrium-stabilized cubic ZrO2

Thermodynamics of fission products in dispersion fuel designs – First-principles modeling of defect behavior in bulk and at interfaces

(2010) X.-Y. Liu et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

First-principles study of fission product (Xe, Cs, Sr) incorporation and segregation in alkaline earth metal oxides, HfO2, and the MgO–HfO2interface

(2009) Xiang-Yang Liu et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Thermodynamics of fission products in UO2 ±x

(2009) P V Nerikar et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

DFT+Ucalculations of the ground state and metastable states of uranium dioxide

(2009) Boris Dorado et al.   PHYSICAL REVIEW B

Progress in understanding fission-product behaviour in coated uranium-dioxide fuel particles

(2008) M. Barrachin et al.   JOURNAL OF NUCLEAR MATERIALS

A computational method to identify interstitial sites in complex materials

(2008) Chao Jiang et al.   SCRIPTA MATERIALIA