Principles Of Nanotechnology Molecular-Based Study Of Condensed Matter In Small Systems

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1、ContentsPrefaceviiChapter1—AdvancesinAtomicandMolecularNanotechnologyIntroduction1TheImportanceofNanoscale3AtomicandMolecularBasisofNanotechnology5SomeRecentKeyInventionsandDiscoveries10ScanningTunnelingMicroscope10AtomicForceMicroscope10Diamondoids1

2、2Buckyballs14CarbonNanotubes15Cyclodextrins,LiposomeandMonoclonalAntibody17OngoingResearchandDevelopmentActivities19FutureProspectsinNanoscienceandNanotechnology25ConclusionsandDiscussion26SomeImportantRelatedINTERNETSites27Bibliography28Chapter2—Nan

3、osystemsIntermolecularForcesandPotentialsIntroduction31CovalentandNoncovalentInteractions31InteratomicandIntermolecularPotentialEnergiesandForces33ixxPrinciplesofNanotechnologyExperimentalandTheoreticalDevelopmentofInterparticlePotentials38Step(1):AF

4、MMeasurementandEmpiricalModeling40Step(2):TheoreticalModeling44LinearizedAugmentedPlaneWave(LAPW)44Full-PotentialLinearizedAugmentedPlaneWave(FLAPW)46Step(3):DevelopmentofNanoparticlePotentials48PhenomenologicalInteratomicandIntermolecularPotentials4

5、91.InteratomicPotentialsforMetallicSystems501.1.TheMany-BodyEmbedded-AtomModel(EAM)Potentials521.2.TheMany-BodyFinnisandSinclair(FS)Potentials541.3.TheMany-BodySuttonandChen(SC)Long-RangePotentials571.4.TheMany-BodyMurrell–Mottram(MM)Potential591.5.T

6、heMany-BodyRafii–TabarandSutton(RTS)Long-RangeAlloyPotentials621.6.Angular-DependentPotentials632.InteratomicPotentialsforCovalently-BondingSystems652.1.TheTersoffMany-BodyC–C,Si–SiandC–SiPotentials652.2.TheBrenner–Tersoff-TypeFirstGenerationHydrocar

7、bonPotentials672.3.TheBrenner–Tersoff-TypeSecondGenerationHydrocarbonPotentials693.InteratomicPotentialforC–CNon-CovalentSystems713.1.TheLennard–JonesandKiharaPotentials713.2.Theexp-6Potential723.3.TheRuoff–HickmanPotential724.InteratomicPotentialfor

8、Metal–CarbonSystem735.Atomic-SiteStressField75ConclusionsandDiscussion76Bibliography78ContentsxiChapter3—ThermodynamicsandStatisticalMechanicsofSmallSystemsIntroduction84ThermodynamicSystemsinNanoscale87Energy,HeatandWorkinNanosystems89LawsofThermody