Articles with "method interatomic" as a keyword



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An embedded atom method interatomic potential for the zirconium-iron system

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Published in 2017 at "Computational Materials Science"

DOI: 10.1016/j.commatsci.2017.02.028

Abstract: Abstract We present a new interatomic potential suitable for molecular dynamics and Monte Carlo simulations of crystalline Zr-Fe alloys, specialized for the Zr rich side of the phase diagram. To provide input data for developing… read more here.

Keywords: embedded atom; potential zirconium; method interatomic; method ... See more keywords