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A comparison between EAM interatomic potentials for Al and Ni: from bulk systems to nanowires
Author(s) -
Peláez S.,
GarcíaMochales P.,
Serena P. A.
Publication year - 2006
Publication title -
physica status solidi (a)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.532
H-Index - 104
eISSN - 1862-6319
pISSN - 1862-6300
DOI - 10.1002/pssa.200566144
Subject(s) - nanowire , embedded atom model , atom (system on chip) , interatomic potential , materials science , reliability (semiconductor) , molecular dynamics , metal , nanotechnology , chemistry , physics , thermodynamics , computational chemistry , computer science , metallurgy , power (physics) , embedded system
Two different kinds of interatomic potentials within the Embedded Atom Method (EAM) have been used to study several properties of selected crystalline structures and nanowire configurations (ordered and helical) for Al and Ni based systems. Reliability of these potentials has been explored when describing cohesive energy and geometrical properties of the systems under consideration as the atomic coordination number decreases. Results provide a criteria for stablishing the limits of validity of EAM potentials when applied to such systems as metallic ultra‐narrow or single atom nanowires. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)