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Molecular Dynamics Study of the Elastic Response of Crystalline, Amorphous and Chemically Disordered NiZr2

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Abstract

We calculate the shear elastic constants of the alloy NiZr2 by molecular dynamics simulations in the crystalline and amorphous phases as well as upon introduction of antisite defects in the crystal at T=300K. For S (long range order parameter) equal to 0.5, the system is amorphous and C’ is larger than the same quantity relative to the crystal whereas C44 and C66 are smaller.

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Authors and Affiliations

  1. CNRS, Composés Non-Stoechiométriques, URA 446, Université de Paris Sud, 91407, Orsay Cedex, France

    Carlo Massobrio

  2. Divisione Scienza dei Materiali, ENEA-TIB C.R.E. CASACCIA, Roma, Italy

    Vittorio Rosato

  3. Section de Recherches de Métallurgie Physique, Centre d'Etudes Nucléaires de Saclay, 91191 Gif-Sur-Yvette, Cedex, France

    Francois Willaime

Authors
  1. Carlo Massobrio
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  2. Vittorio Rosato
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  3. Francois Willaime
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Massobrio, C., Rosato, V. & Willaime, F. Molecular Dynamics Study of the Elastic Response of Crystalline, Amorphous and Chemically Disordered NiZr2. MRS Online Proceedings Library 205, 399–404 (1990). https://doi.org/10.1557/PROC-205-399

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  • DOI: https://doi.org/10.1557/PROC-205-399

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