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

Name: DFT binding and migration energies, KineCluE transport coefficients, and RIS results in ferritic Fe-X (X=Cr, Cu, Mn, Ni, P, Si) dilute alloys
Creator: Luca Messina
Published: 2019-10-24T21:12:51.241Z
Keywords: Diffusion, DFT Method Application, Segregation, Transport Property of Condensed Matter, Low Alloy Ferritic Steel

Messina, Luca

doi:10.17632/4ckt339g7t.1

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: 24-10-2019| Version 1 | DOI: 10.17632/4ckt339g7t.1

Contributor:

Luca Messina

Description

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.