Updated details on actinide potential model: error-function for short range cut-off
The page describing the actinide potential model has undergone a minor update. The details of the short range cutoff on the EAM component of the model has been explicitly described. An error function is used to smoothly taper the density term of the EAM to zero at 1.5 Å.
In addition, to demonstrate that a smooth cutoff is achieved the full actinide oxygen interaction for PuO2 ThO2 and UO2 is plotted as a function of interatomic separation. Furthermore, the many-body nature of the model is shown by plotting this interaction with different numbers of coordinating oxygen atoms. The actinide-oxygen bond strength is progressively weakened as the coordination number increases.