2024
DOI: 10.1088/1361-6528/ad1841
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Atomistic modeling of electromechanical properties of piezoelectric zinc oxide nanowires

S A Meguid,
S I Kundalwal,
Ahmed R Alian

Abstract: Currently, numerous articles are devoted to examining the influence of geometry and charge distribution on the mechanical properties and structural stability of piezoelectric nanowires (NWs). The varied modeling techniques adopted in earlier works dictated the outcome of the different efforts. In this article, comprehensive molecular dynamic studies are conducted to determine the influence of varied interatomic potentials (partially charged rigid ion model [PCRIM], ReaxFF, charged optimized many-body [COMB], a… Show more

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