Cohesive energies of Fe-based glass-forming alloys

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dc.creatorMihalkovič, M.
dc.creatorWidom, M.
dc.date2004-05-13
dc.date.accessioned2026-07-07T02:58:09Z
dc.date.available2026-07-07T02:58:09Z
dc.descriptionWe calculate the cohesive energies of Fe-based glass-forming alloys in the B-Fe-Y-Zr quaternary system. Our {\it ab-initio} calculations fully relax atomic positions and lattice parameters yielding enthalpies of mixing at T=0K. We examine both the known equilibrium and metastable phases as well as a selection of plausible structures drawn from related alloy systems. This method, generally reproduces experimentally determined phase diagrams while providing additional information about energetics of metastable and unstable structures. In particular we can identify crystalline structures whose formation competes with the metallic glass. In some cases we identify previously unknown structures or observe possible errors in the experimental phase diagrams.
dc.description16 pages, 10 figures 4 tables, submitted to Phys. Rev. B
dc.identifierhttps://arxiv.org/abs/cond-mat/0405298
dc.identifierhttp://arxiv.org/abs/cond-mat/0405298
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/23958
dc.subjectMaterials Science
dc.subjectDisordered Systems and Neural Networks
dc.titleCohesive energies of Fe-based glass-forming alloys
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