Abstract
Simulations of diffusion in solids often produce poor statistics of diffusion events. We present an analytical expression for the statistical error in ion conductivity obtained in such simulations. The error expression is not restricted to any computational method in particular, but valid in the context of simulation of Poisson processes in general. This analytical error expression is verified numerically for the case of Gd-doped ceria by running a large number of kinetic Monte Carlo calculations.
- Received 15 April 2016
- Revised 1 July 2016
DOI:https://doi.org/10.1103/PhysRevB.94.085206
©2016 American Physical Society