Radiation Damage in Complex Oxide Materials – Accurate Yet Fast Simulations by Fitting Atomistic Potentials
Radiation Damage in Complex Oxide Materials – Accurate Yet Fast Simulations by Fitting Atomistic Potentials
2 Pagesaccelrys.com CASE STUDY 1 “The computational tool (GULP) enabled the generation of a simple but accurate forcefield; this has been used in further work on defect ordering and radiation damage in these complex perovskites. ” Dr Thomas Australian Nuclear Science and Technology Organization Modules used • GULP Industry sectors • Nuclear • P o w er G ener a tion Organizations • A ustr alian Nuclear S cienc e and T echnology Or ganiza tio
