Multiscale modelling of defect kinetics in irradiated iron

By C. Fu, J. D. Torre, F. Willaime, J. Bocquet, A. Barbu. 2004

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Recent advances in modeling and simulation of the exposure and response of tungsten to fusion energy conditions (2017, methodology): “In addition, rate theory predictions have been, and are being, calibrated and validated against experimental data on multiple occasions [7, 213, 214], adding confidence to the models and establishing meaningful applicability limits to the technique.”
Status of R&D activities on materials for fusion power reactors (2007, methodology): “The number and temperatures of annealing stages are reproduced with a fairly good accuracy [190], confirming that the high temperature of stage I in Fe is due to the low 3D mobility of the 〈1 1 0〉 SIA stable configuration with a migration energy of 0.”
Reproducibility in density functional theory calculations of solids (2016, background): “are used nowadays to build large databases (11, 12) and in multiscale calculations in which they serve as one part of the tool chain (13, 14).”