FIG. 2. Simulation techniques can be used to aid the inference of nanoscale defects in irradiation experiments. a) kMC can predict the isochronal evolution of defects and thus simulate the resistivity recovery spectrum. From [36], Copyright 2004 Springer Nature. b) DFT (inset) can determine the eect of defects on positron lifetime characteristics. From [57], CC BY-NC-ND 4.0. c) DFT can be used to predict the radial probability distribution and compared to extended X-ray absorption ne structure experiments. From [59], Copyright 2021 Elsevier. d) MD schemes can simulate the degradation in thermal diusivity with dose and can be compared to TGS experiments. From [60], CC BY 4.0. e) MD can also determine the system stored energy following PKA cascades and subsequent isothermal annealing. From [25], CC BY 4.0.

FIG. 2. Simulation techniques can be used to aid the inference of nanoscale defects in irradiation experiments.
a) kMC can predict the isochronal evolution of defects and thus simulate the resistivity recovery spectrum. From [36], Copyright
2004 Springer Nature. b) DFT (inset) can determine the eect of defects on positron lifetime characteristics. From [57], CC
BY-NC-ND 4.0. c) DFT can be used to predict the radial probability distribution and compared to extended X-ray absorption
ne structure experiments. From [59], Copyright 2021 Elsevier. d) MD schemes can simulate the degradation in thermal
diusivity with dose and can be compared to TGS experiments. From [60], CC BY 4.0. e) MD can also determine the system
stored energy following PKA cascades and subsequent isothermal annealing. From [25], CC BY 4.0.