Library of Potentials

Library of Potentials

Cooper-Rushton-Grimes Many Body Actinide Potentials

The Cooper-Rushton-Grimes actinide potential model was derived to give a good description of the thermo-physical properties of fluorite structured actinide oxides. A key feature of the model is that it uses the embedded atom model. This introduces many body terms that were crucial in allowing a good description of both thermal expansion and elastic properties as a function of temperature.

The model has been derived to describe the following systems:

  • AmO2
  • CeO2
  • CmO2
  • NpO2
  • PuO2
  • ThO2
  • UO2

Mixtures of these are also supported allowing the simulation of mixed oxide systems.

A full description of the model can be found here.

Extensions:

A number of projects have built on the actinide potentials extending their utility: