词条 | 微系统中基于分子凝聚态的研究 |
释义 | 图书信息作 者: (美)曼索里 著 丛 书 名:出 版 社: 复旦大学出版社ISBN:9787309052060出版时间:2006-11-01版 次:1页 数:341装 帧:平装开 本:16开所属分类:图书 > 科技 > 一般工业技术 内容简介纳米技术最先由诺贝尔物理学奖获得者、著名的物理学家理查德·费曼在1959年12月29日的一次报告中提出来的。20世纪80年代,扫描探针显微镜发明之后,纳米技术开始快速发展,现在它已成为物品设计和制作中最活跃的前沿应用领域。《纳米技术原理》就是作者根据自己37年的研究工作,在给伊利诺依(Illinois)大学的工程、生物和物理类研究生和读过量子力学、统计力学的高年级大学生讲课的讲稿基础上撰写而成的。《纳米技术原理》强调在凝聚态物质的分子研究基础上,重点介绍微系统的有趣课题。《纳米技术原理》共分11章,分别讲述原子、分子纳米技术的进展;纳米系统中分子间的作用力和势函数;纳米系统的热力学和统计力学;纳米系统的Monto Carlo模拟法;纳米系统的动力学模拟法;纳米系统的计算机模拟和最优化;纳米系统的相变;原子分子的定位安装;分子自组装;动力学组合化学;分子组装的鸟笼结构等。《纳米技术原理》提供了丰富的进一步研究的参考文献。 《纳米技术原理》除了可用作相关专业的研究生教材和本科生选修课教材之外,还可作为有关专家了解纳米系统学科概貌的参考读物。《纳米技术原理》的细致解释,一定会引起读者的广泛关注。考虑到纳米技术是一门跨学科的交叉学科,《纳米技术原理》还附上术语解释,包括了缩略语、化学方程式、概念定义、方程和理论等方面,这将为不同学科的读者提供阅读的方便。 作者简介曼索里,G.Ali Mansoori,美国Illinois大学生物工程和化学工程系教授、博士。 作者致力于将统计力学和热力学应用于化学工程和生物工程之中,研究范围涉及重油利用、沥青质特征、天然气净化、超临界流体的提取、生物技术和环境污染等。作者已经取得了以下成果:确立了可用于工程设计计算的新的分子溶液理论、多组份混合物的相平衡理论,并将上述两理论用于聚合物溶体、石油贮存流体、煤液化流体以及生物学流体之中;得到由极化分子或亲水性分子组成的反对称混合物的统计力学混合规则;提出了超临界流体萃取和反缩聚的可能技术手段,并将这些技术手段用于天然气的生产和加工过程之中;得出生物学分离的相平衡理论以及在从生物学流体富集生物大分子(蛋白质)过程中的应用;从石油原油中提取沥青质的沉淀和分离技术及其在石油生产和加工过程中的应用等。作者采用了色谱法、界面张力计、沸点升高测定法以及微组分集结、胶体化、微胶粒、聚合等实验方法和统计力学理论,建立了上述的技术设施。 《纳米技术原理》一书是作者近年来对微系统进行分子研究和在凝聚态物理教学工作的基础上编写而成的。 ·查看全部>> 目录Preface Chapter1—AdvancesinAtomicandMolecularNanotechnology Introduction TheImportanceofNanoscale AtomicandMolecularBasisofNanotechnology SomeRecentKeyInventionsandDiscoveries ScanningTunnelingMicroscope AtomicForceMicroscope Diamondoids Buckyballs CarbonNanotubes Cyclodextrins,LiposomeandMonoclonalAntibody OngoingResearchandDevelopmentActivities FutureProspectsinNanoscienceandNanotechnology ConclusionsandDiscussion SomeImportantRelatedINTERNETSites Bibliography Chapter2—NanosystemsIntermolecularForcesandPotentials Introduction CovalentandNoncovalentInteractions InteratomicandIntermolecularPotentialEnergiesandForces ExperimentalandTheoreticalDevelopmentofInterparticlePotentials Step(1):AFMMeasurementandEmpiricalModeling Step(2):TheoreticalModeling LinearizedAugmentedPlaneWave(LAPW) Full-PotentialLinearizedAugmentedPlaneWave(FLAPW) Step(3):DevelopmentofNanoparticlePotentials PhenomenologicalInteratomicandIntermolecularPotentials 1.InteratomicPotentialsforMetallicSystems 1.1.TheMany-BodyEmbedded-AtomModel(EAM)Potentials 1.2.TheMany-BodyFinnisandSinclair(FS)Potentials 1.3.TheMany-BodySuttonandChen(SC)Long-RangePotentials 1.4.TheMany-BodyMurrell-Mottram(MM)Potential 1.5.TheMany-BodyRafii-TabarandSutton(RTS)Long-RangeAlloyPotentials 1.6.Angular-DependentPotentials 2.InteratomicPotentialsforCovalently-BondingSystems 2.1.TheTersoffMany-BodyC-C,Si-SiandC-SiPotentials 2.2.TheBrenner-Tersoff-TypeFirstGenerationHydrocarbonPotentials 2.3.TheBrenner-Tersoff-TypeSecondGenerationHydrocarbonPotentials 3.InteratomicPotentialforC-CNon-CovalentSystems 3.1.TheLennard-JonesandKiharaPotentials 3.2.Theexp-6Potential 3.3.TheRuoff-HickmanPotential 4.InteratomicPotentialforMetal-CarbonSystem 5.Atomic-SiteStressField ConclusionsandDiscussion Bibliography Chapter3—ThermodynamicsandStatisticalMechanicsofSmallSystems Introduction ThermodynamicSystemsinNanoscale Energy,HeatandWorkinNanosystems LawsofThermodynamics TheZerothLaw TheFirstLaw TheSecondLaw TheThirdLaw StatisticalMechanicsofSmallSystems ThermodynamicsandStatisticalMechanicsofNonextensiveSystems EulersTheoremofHomogenousFunctions BoltzmannandBoltzmann-GibbsFormulaeofEntropy TsallisFormulaofEntropy MicrocanonicalEnsembleforNonextensiveSystems CanonicalEnsembleforNonextensiveSystems ConclusionsandDiscussion Bibliography Chapter4—MonteCarloSimulationMethodsforNanosystems Introduction GeneratingRandomNumbers GeneratingUniformlyDistributedRandomNumbersin[0,1) GeneratingRandomNumbersin[a,b)AccordingtoaGiven DistributionFunctionP(x) ImportanceSampling MonteCarloIntegrationMethod ApplicationstoNanosystemsComposedofaFewParticles EquilibriumStatisticalMechanicsandMonteCarloMethod TheMarkovProcess ChoiceoftheTransitionFunction Example AcceptanceRatiosandChoiceoftheMoves OtherTrickstoImprovetheSimulationSpeed ApplicationofMonteCarlotoNonequilibriumProblems TheLangevinEquation InteractingSystems ConclusionsandDiscussion Bibliography Chapter5—MolecularDynamicsSimulationMethodsforNanosystems Introduction PrinciplesofMDSimulationofNanosystems IntegrationofNewtonEquationofMotion 1.TheVeletMethod 2.TheLeap-FrogMethod 3.TheVelocity-VerletMethod 4.TheGearPredictor-CorrectorMethod ChoiceoftheTimeIncrementAt MDSimulationofSystemsinContactwithaHeatBath:Thermostats 1.VelocityScalingThermostat 2.TheNose-HooverExtended-SystemThermostat 3.TheLangevinThermostat CalculationsResultingfromMDSimulations ConclusionsandDiscussion Bibliography Chapter6—Computer-BasedSimulationsandOptimizationsforNanosystems Introduction A.ClassificationofSimulationMethodsBasedonAccuracyandComputationalTime MethodswiththeHighestDegreeofAccuracy(VeryCPU-Intensive) MethodswiththeSecondHighestDegreeofAccuracy Semi-EmpiricalMethods StochasticMethods B.ClassificationofOptimizationsinMolecularSimulations LocalOptimizationMethods 1.SteepestDescentMethod(SDM) 2.DampedNewtonianDynamicsMethod 3.ConjugateGradientsMethod(CGM) 4.Quasi-NewtonMethods GlobalOptimizationMethods 1.SimulatedAnnealingMethod 2.GeneticAlgorithm ConclusionsandDiscussion Bibliography Chapter7—PhaseTransitionsinNanosystems Introduction TheGibbsPhaseRule PhaseTransitions AComparisonofPhaseTransitionsBetweenSmallandLargeSystems Fragmentation ExperimentalObservationsofPhaseTransitionsinSmallSystems 1.EvaporationofWaterinaSealedNanotube 2.MicellizationandCoacervation 3.AnExampleofCrystallization ConclusionsandDiscussion Bibliography Chapter8—PositionalAssemblyofAtomsandMolecules Introduction Positional(orRobotic)Assembly ScanningProbeMicroscopy 1.Topografiner 2.QuantumMechanicalTunnelingEffect 3.PiezoelectricPhenomena 4.ScanningTunnelingMicroscope(STM) 5.ElectronicsFeedbackLoop 6.AtomicForceMicroscope(AFM) ApplicationsofSTMforPositionalAssemblyofMolecules ConclusionsandDiscussion Bibliography Chapter9—MolecularSelf-Assembly Introduction TheFiveFactorsResponsibleforSelf-Assembly (1).TheRoleofMolecularBuildingBlocks(MBBs)inSelf-Assembly (2).TheRoleofIntermolecularInteractionsinSelf-Assembly (3).Reversibility (4).MolecularMobility (5).ProcessMedium SomeExamplesofControlledSelf-Assemblies (A).Self-AssemblyUsingSolidSurfaces-Immobilization Techniques (A-1).AffinityCouplingviaAntibodies (A-2).AffinityCouplingbyBiotin-Streptavidin (Bio-STV)SystemandItsModification (A-3).ImmobilizedMetalIonComplexation(IMIC) (A-4).Self-AssembledMonolayer(SAM) (A-4-1).PhysicalAdsorption (A-4-2).InclusioninPolyelectrolytesor ConductingPolymers (A-4-3).InclusioninSAM (A-4-4).Non-OrientedAttachmenttoSAM (A-4-5).OrientedAttachmenttoSAM (A-4-6).DirectSite-SpecificAttachmenttoGold (A-5).StrainDirectedSelf-Assembly (A-6).DNADirectedSelf-Assembly (A-7).Self-AssemblyonSiliconSurfaces (B).Self-AssemblyinFluidMedia ConclusionsandDiscussion Bibliography Chapter10—DynamicCombinatorialChemistry Introduction DynamicCombinatorialLibrary(DCL) ChallengesandLimitationsinDesigningaDCL (i)TheNatureofDCLComponentsandTemplates (ii)TheTypesofIntermolecularInteractionsinDCL (iii)ThermodynamicConditions (iv)MethodsofaDCLAnalysis MolecularRecognition SomeExamplesandApplicationsofDCL Host-GuestChemistry ConclusionsandDiscussion Bibliography Chapter11—MolecularBuildingBlocks—Diamondoids Introduction MolecularBuildingBlocks Diamondoids SomePhysicalandChemicalPropertiesofDiamondoid Molecules SynthesisofDiamondoids GeneralApplicationsofDiamondoids ApplicationofDiamondoidsasMBBs DiamondoidsforDrugDeliveryandDrugTargeting DNADirectedAssemblyandDNA-Adamantane-Protein Nanostructures DiamondoidsforHost-GuestChemistry ConclusionsandDiscussion Bibliography Glossary Index ·查看全部>> 前言《纳米技术原理》是我近年来对纳米系统凝聚态的分子行为的研究工作和教学活动的结晶。书中涉及的纳米系统的特殊观念源于我早先对物质、统计力学、热力学和工程科学的分子研究。以前我曾参与该学科的各种专题讨论、口头交谈、学术讨论和研究论文切磋等活动。 我很感激很多同事、朋友和学生,从他们中间我找到了许多论文的合作伙伴。我特别要感谢的是:J.Anderson,L.Assoufid,R.Bagherian,B.Chehroudi,D.Dziura,T.Ebtekar,A.Eliassi,K.Esfarˉjani,T.F.George,A.Johnson,L.A.Kennedy,G.L.Klimchitskaya,C.Megaridess,S.Priyanto,H.RafiiˉTabar,H.Ramezani,D.Samaˉranski,B.Searles,T.A.F.Soelaiman,G.R.VakiliˉNezhaad,M.ShariatyˉNiassar,A.Soltani,B.Soltani,A.Suwono,G.Uslenghi,G.W illing以及G.Zhang。这些合作者对本书的完成起到极为宝贵的作用。读者应该牢记在心的是:本书是专为纳米技术这一专题服务的。书中列出的题目和参考文献是有限的,我要对忽视的出版物的作者表示歉意。 |
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