DFT binding and migration energies, KineCluE transport coefficients, and RIS results in ferritic Fe-X (X=Cr, Cu, Mn, Ni, P, Si) dilute alloys
This database collects the main results presented in the following publication: L. Messina, T. Schuler, M. Nastar, M. C. Marinica, and P. Olsson, "Solute diffusion by self-interstitial defects and radiation-induced segregation in ferritic Fe-X (X=Cr, Cu, Mn, Ni, P, Si) dilute alloys", arXiv xxx (2019). Please cite this reference when using the data.
Steps to reproduce
A detailed explanation of the content can be found in the README file and in the mentioned publication.