Ab initio and atomistic study of generalized stacking fault energies in Mg and Mg–Y alloys

Autor: Z Pei, L-F Zhu, M Friák, S Sandlöbes, J von Pezold, H W Sheng, C P Race, S Zaefferer, B Svendsen, D Raabe, J Neugebauer

Publikováno v: New Journal of Physics, Vol 15, Iss 4, p 043020 (2013)

Magnesium–yttrium alloys show significantly improved room temperature ductility when compared with pure Mg. We study this interesting phenomenon theoretically at the atomic scale employing quantum-mechanical (so-called ab initio ) and atomistic mod

Externí odkaz: https://doaj.org/article/b966de100d5742ec89e5817693387f87

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Influence of the dislocation core on the glide of the ½〈111〉{110} edge dislocation in bcc-iron: An embedded atom method study

Autor: Martin Friák, Dierk Raabe, J. von Pezold, Joerg Neugebauer, S.M. Hafez Haghighat, Christopher Race, Fritz Körmann

Publikováno v: Computational Materials Science. 87:274-282

Four commonly used embedded atom method potentials for bcc-Fe by Ackland et al. (1997), Mendelev et al. (2003), Chiesa et al. (2009) and Malerba et al. (2010) are critically evaluated with respect to their description of the edge dislocation core str

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1cbeb2a12d65a861be6fc41e5fd12a98
https://doi.org/10.1016/j.commatsci.2014.02.031

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Mechanisms and kinetics of the migration of grain boundaries containing extended defects

Autor: J. von Pezold, Blazej Grabowski, Christopher Race, Raheleh Hadian, Jörg Neugebauer

Publikováno v: Race, C P, Hadian, R, von Pezold, J, Grabowski, B & Neugebauer, J 2015, ' Mechanisms and kinetics of the migration of grain boundaries containing extended defects ', Phys. Rev. B, vol. 92, no. 17 . https://doi.org/10.1103/PhysRevB.92.174115

A full understanding of the basic processes of grain boundary migration is a fundamental prerequisite for predictive models of microstructural evolution in polycrystalline materials in processing and in service. In a detailed study of the kinetics of

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3fff82833a77160e1fb49c6a5449846d
http://www.manchester.ac.uk/escholar/uk-ac-man-scw:280532