@article {1571,
	title = {Design of Nickel-Cobalt-Ruthenium Multi-Principal Element Alloys},
	journal = {Acta Materialia},
	year = {2020},
	pages = {16013},
	keywords = {Alloy design, Density functional theory, High Entropy Alloys, planar fault energies, TRIP, TWIP},
	issn = {1359-6454},
	doi = {10.1016/j.actamat.2020.05.003},
	url = {https://doi.org/10.1016/j.actamat.2020.05.003},
	author = {Charpagne, M A and Vamsi, K V and Eggeler, Y M and Murray, S P and Frey, C and Kolli, S K and Pollock, T M}
}
@article {1331,
	title = {A new proximate structure for the APB (111) in L12 compounds},
	journal = {Scripta Materialia},
	volume = {182},
	year = {2020},
	pages = {38{\textendash}42},
	abstract = {<p>
	A new approach which involves a diffuse multi-layer fault model coupled with a cluster approach to statistical mechanics (CASM) infrastructure has been developed to identify the proximate structure for the antiphase boundary (APB) on {111} planes in L12. We report a new structure, \&lsquo;\&gamma;a\&prime;\&$\#$39; which approximates the bonding environment of an APB better than a previously reported structure, \&lsquo;\&omega;\&$\#$39;. Density functional theory calculations were employed to predict the APB energies from structural energies of \&gamma;a\&prime; and L12 and were validated against estimations from supercell methods for several binary compounds. The implications of the discovery of the \&gamma;a\&prime; are discussed.
</p>
},
	keywords = {Antiphase boundaries, Density functional theory, High-throughput calculations, Planar faults energies, Superalloys},
	issn = {13596462},
	doi = {10.1016/j.scriptamat.2020.02.038},
	url = {https://doi.org/10.1016/j.scriptamat.2020.02.038},
	author = {Vamsi, K. V. and Pollock, Tresa M.}
}
