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Molecular dynamics simulations of halide glasses

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Summary

Halide glasses have been extensively studied in recent years because of their potential application as infrared transmitting fibre optic materials. They are believed to be more ionic than glasses based on silica and should therefore be more amenable to molecular dynamics simulation using simple two-body potentials. Here the main features of structural models derived using such techniques are described and compared with available structural data. Possible future applications of this approach are outlined.

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Authors and Affiliations

  1. School of Materials, Sheffield University, Elmfield, Northumberland Road, S10 2TZ, Sheffield, UK

    John M. Parker

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  1. John M. Parker
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Parker, J.M. Molecular dynamics simulations of halide glasses. J Computer-Aided Mol Des 3, 327–334 (1989). https://doi.org/10.1007/BF01532019

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  • DOI: https://doi.org/10.1007/BF01532019

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