Multicomposition EPSR: toward transferable potentials to model chalcogenide glass structures

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Multicomposition EPSR: toward transferable potentials to model chalcogenide glass structures

The structure of xAs40Se60–(1 – x)As40S60 glasses, where x = 1.000, 0.667, 0.500, 0.333, 0.250, and 0.000, is investigated using a combination of neutron and X-ray diffraction coupled with computational modeling using multicomposition empirical potential structure refinement (MC-EPSR). Traditional E...

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Bibliographic Details
Main Authors:	Towey, James J., Barney, Emma R.
Format:	Article
Published:	American Chemical Society 2016
Online Access:	https://eprints.nottingham.ac.uk/39455/

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