Modeling the atomic structure of amorphous steels using crystalline approximants

V. Yu. Kazimirov, Despina Louca, V. Ponnambalam, S. J. Poon, and T. Proffen
Phys. Rev. B 72, 054207 – Published 18 August 2005

Abstract

Using the pair density function analysis of pulsed neutron diffraction data, the local topology of Fe-based metallic glasses with good glass forming ability was investigated upon alloying with transition metal ions of Y, Zr, or Mo. Distinct short and medium range atomic order with common characteristics in all the glasses is observed. The local order is well described by a geometrical model constructed from superposition of “crystalline approximant” phases which is different from Frank-Kasper polyhedra clustering or dense random packing models. The mechanism responsible for the structure in the glass phase might involve a frustration-induced structural disorder of the crystalline approximant phases as they are driven away from stable stoichiometric compositions.

    • Received 2 February 2005

    DOI:https://doi.org/10.1103/PhysRevB.72.054207

    ©2005 American Physical Society

    Authors & Affiliations

    V. Yu. Kazimirov1, Despina Louca1,*, V. Ponnambalam1, S. J. Poon1, and T. Proffen2

    • 1University of Virginia, Department of Physics, Charlottesville, Virginia 22904, USA
    • 2Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA

    • *Author to whom correspondence should be addressed. Electronic address: louca@virginia.edu

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    Issue

    Vol. 72, Iss. 5 — 1 August 2005

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