DFT binding and migration energies, KineCluE transport coefficients, and RIS results in ferritic Fe-X (X=Cr, Cu, Mn, Ni, P, Si) dilute alloys

Published: 24 October 2019| Version 1 | DOI: 10.17632/4ckt339g7t.1
Luca Messina


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.


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A detailed explanation of the content can be found in the README file and in the mentioned publication.


Diffusion, DFT Method Application, Segregation, Transport Property of Condensed Matter, Low Alloy Ferritic Steel