Analytical solutions for elastic binary nanotubes of arbitrary chirality-中国期刊网

摘要 Analyticalsolutionsfortheelasticpropertiesofavarietyofbinarynanotubeswitharbitrarychiralityareobtainedthroughthestudyofsystematicmolecularmechanics.Thismolecularmechanicsmodelisfirstextendedtochiralbinarynanotubesbyintroducinganadditionaloutof-planeinversiontermintotheso-calledstick-spiralmodel,whichresultsfromthepolarbondsandthebucklingofbinarygraphiticcrystals.Theclosed-formexpressionsforthelongitudinalandcircumferentialYoung’smodulusandPoisson’sratioofchiralbinarynanotubesarederivedasfunctionsofthetubediameter.Theobtainedinversionforceconstantsarenegativeforalltypesofbinarynanotubes,andthepredictedtubestiffnessislowerthanthatbytheformerstick-spiralmodelwithoutconsiderationoftheinversionterm,reflectingthesofteningeffectofthebucklingontheelasticpropertiesofbinarynanotubes.Theobtainedpropertiesareshowntobecomparabletoavailabledensityfunctionaltheorycalculatedresultsandtobechiralityandsizesensitive.ThedevelopedmodelandexplicitsolutionsprovideasystematicunderstandingofthemechanicalperformanceofbinarynanotubesconsistingofIII–VandII–VIgroupelements.

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Analytical solutions for elastic binary nanotubes of arbitrary chirality

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Analytical solutions for elastic binary nanotubes of arbitrary chirality

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