A Systematic First-Principles Study of Computational Parameters Affecting Self-diffusion Coefficients in FCC Ag, Cu, and Ni
Author:
Publisher
Springer Science and Business Media LLC
Subject
Materials Chemistry,Metals and Alloys,Condensed Matter Physics
Link
https://link.springer.com/content/pdf/10.1007/s11669-022-00991-4.pdf
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3. H. Wu, T. Mayeshiba, D. Morgan, C. Domain, P. Olsson, High-throughput ab-initio dilute solute diffusion database. Sci. Data 3, 160054 (2016)
4. M. Mantina, Y. Wang, R. Arroyave, L.Q. Chen, Z.K. Liu, C. Wolverton, First-principles calculation of self-diffusion coefficients. Phys. Rev. Lett. 100, 4 (2008)
5. J.D. Tucker, R. Najafabadi, T.R. Allen, D. Morgan, Ab initio-based diffusion theory and tracer diffusion in Ni–Cr and Ni–Fe alloys. J. Nucl. Mater. 405, 216–234 (2010)
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