Revealing the Inherent Structure of Fe100-XZrX from Radial Distribution Function Using Molecular Dynamics

A Shrivastava and M Khandpekar and DS Gowtam and VP Deshmukh, ADVANCED SCIENCE LETTERS, 21, 2783-2785 (2015).

DOI: 10.1166/asl.2015.6364

Radial distribution functions are useful because they have a simple intuitive understanding and can be obtained both experimentally as well as from computer generated structure models. In present work we have carried out molecular dynamics (MD) simulations on Fe100-XZrX (X = 5, 10), to understand the inherent structure of the system by means of radial distribution function (RDF). RDFs were calculated for all temperature range and their variation with respect to temperature reveals the structural features the alloy system.

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