资源描述：
《Computational Nanomechanics计算纳米力学》由会员上传分享，免费在线阅读，更多相关内容在教育资源-天天文库。
1、ComputationalNanomechanicsofQuasi-one-dimensionalStructuresinaSymmetry-AdaptedTightBindingFrameworkTraianDumitricaAbstractThesuccessofmanynanotechnologiesdependsonourabilitytounderstandandcontrolthemechanicsofnanoobjects,suchasnanotubesandnanobelts.Becauseof
2、thenumerousexperimentaldifficultiesencounteredatthisscale,simulationcanemergeasapowerfulpredictivetool.Forthis,newmulti-scalesimulationmethodsareneededinwhichacontinuummodelemergesfromaprecise,quantummechanicaldescriptionoftheatomicscale.Becausecomputingnanom
3、echanicalresponsesrequireslargesystems,computationallyaffordablebutlessaccurateclassicalatomistictreatmentsoftheatomicscalearewidelyadoptedandonlymultiscaleclassicalatomistic-to-continuumbridgingisachieved.Asafirststeptowardsachievingaccuratemultiscalemodelsf
4、ornanoobjects,basedonaquantum-mechanicaldescriptionofchemicalbonding,herewepresentaninge-nioussymmetry-adaptedatomisticschemethatperformscalculationsunderheli-calboundaryconditions.Theutilityofthemicroscopicmethodisillustratedwithexamplesdiscussingthenanomec
5、hanicalresponseofcarbonnanotubesandther-modynamicalstabilityofsiliconnanowires.1IntroductionThediscoveryofquasione-dimensionalorganizationsofmatterwithdistinctshapesnanotubes[1,2],andnanowires[3,4]openedanewfrontierinsci-enceandengineering.Understandingthebe
6、haviorofthesestructuresisnotonlyoffundamentalbutalsoofpracticalimportance,becausebycapitalizingonthescienceemergingfromthenewlyaccessiblesizerange,engineerscandeveloptechnologiesthatwillbenefithumankind.Thesuccessofthesenanotechnologiesdependsonourabilitytoun
7、derstandandcontrolthenanoscalemechanics.Asexperimentaldifficul-tiesarenumerousonthissmallscale,computersimulationsemergeasapowerfulpredictivetoolwithgreateffectsontechnologicalinnovation.T.Dumitrica(B)DepartmentofMechanicalEngineering,UniversityofMinnesota,Sa
8、intPaul,MN,USAe-mail:td@me.umn.eduA.Aldea,V.Bârsan(eds.),TrendsinNanophysics,EngineeringMaterials,29DOI10.1007/978-3-642-12070-1_2,CSpringer-VerlagBerlinHeidelberg201030T.DumitricaItshouldbenot
