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De Jong, M. (author), Kacher, J. (author), Sluiter, M.H.F. (author), Qi, L. (author), Olmsted, D.L. (author), Van de Walle, A. (author), Morris, J.W. (author), Minor, A.M. (author), Asta, M. (author)
Density-functional-theory calculations of twin-boundary energies in hexagonal close packed metals reveal anomalously low values for elemental Tc and Re, which can be lowered further by alloying with solutes that reduce the electron per atom ratio. The anomalous behavior is linked to atomic geometries in the interface similar to those observed in...
journal article 2015
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De Jong, M. (author), Chen, W. (author), Angsten, T. (author), Jain, A. (author), Notestine, R. (author), Gamst, A. (author), Sluiter, M.H.F. (author), Krishna Ande, C. (author), Van der Zwaag, S. (author), Plata, J.J. (author), Toher, C. (author), Curtarolo, S. (author), Ceder, G. (author), Persson, K.A. (author), Asta, M. (author)
journal article 2015