Neutrons in Soft Matter Neutrons in Soft Matter Edited by Toyoko Imae, Toshiji Kanaya, Michihiro Furusaka, and Naoya Torikai Copyright(cid:1)2011byJohnWiley&Sons,Inc.Allrightsreserved. PublishedbyJohnWiley&Sons,Inc.,Hoboken,NewJersey PublishedsimultaneouslyinCanada Nopartofthispublicationmaybereproduced,storedinaretrievalsystem,ortransmittedinany formorbyanymeans,electronic,mechanical,photocopying,recording,scanning,orotherwise, exceptaspermittedunderSection107or108ofthe1976UnitedStatesCopyrightAct,withouteither thepriorwrittenpermissionofthePublisher,orauthorizationthroughpaymentoftheappropriate per-copyfeetotheCopyrightClearanceCenter,Inc.,222RosewoodDrive,Danvers,MA01923, (978)750-8400,fax(978)750-4470,oronthewebatwww.copyright.com.Requeststothe PublisherforpermissionshouldbeaddressedtothePermissionsDepartment,JohnWiley&Sons,Inc., 111RiverStreet,Hoboken,NJ07030,(201)748-6011,fax(201)748-6008,oronlineat http://www.wiley.com/go/permission. 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QC793.5.N4628E862011 539.7’58–dc22 2010030994 PrintedintheUnitedStatesofAmerica 10 9 8 7 6 5 4 3 2 1 Contents Preface vii Contributors ix I Neutron Scattering 1 I.1 Basics Concepts 1 FerencMezei II Instrumentation 29 II.1 Small-Angle Neutron Scattering 29 II.1.1 Small-Angle Neutron Scattering at Reactor Sources 29 KellMortensen II.1.2 SANS Instruments at Pulsed Neutron Sources 57 ToshiyaOtomo II.1.3 Ultra-Small-Angle Neutron Scattering 73 II.1.3.1 Bonse–Hart USANS Instrument 73 MichaelAgamalian II.1.3.2 Focusing USANS Instrument 94 SatoshiKoizumi II.2 Neutron Reflectometry 115 NaoyaTorikai II.3 Quasielastic and Inelastic Neutron Scattering 147 II.3.1 Neutron Spin Echo Spectroscopy 147 MichaelMonkenbuschandDieterRichter II.3.2 Neutron Backscattering 183 BernhardFrickandDanNeumann II.3.3 Time-of-Flight Spectrometry 203 RuepE.Lechner II.4 Neutron Imaging 269 NobuyukiTakenaka v vi Contents III Data Treatment and Sample Environment 285 III.1 Practical Aspects of SANS Experiments 285 GeorgeD.Wignall III.2 Structure Analysis 311 HidekiSeto III.3 Calculation of Real Space Parameters and Ab Initio Models from Isotropic Elastic SANS Patterns 329 PeterV.KonarevandDmitriI.Svergun III.4 Contrast Variation 351 MitsuhiroHirai III.5 Sample Environment: Soft Matter Sample Environment for Small-Angle Neutron Scattering and Neutron Reflectometry 383 PeterLindner,RalfSchweins,andRichardA.Campbell IV Applications 415 IV.1 Hierarchical Structure of Small Molecules 415 Tsang-LangLin IV.2 Structure of Dendritic Polymers and Their Films 435 KojiMitamuraandToyokoImae IV.3 Dynamics of Polymers 455 ToshijiKanayaandBarbaraJ.Gabrys IV.4 Inhomogeneous Structure and Dynamics of Condensed Soft Matter 493 MitsuhiroShibayama IV.5 Protein Dynamics Studied by Neutron Incoherent Scattering 517 MikioKataokaandHiroshiNakagawa IV.6 Polymer Interfaces and Thin Films 539 DavidG.Bucknall IV.7 Neutron Diffraction from Polymers and Other Soft Matter 571 GeoffreyR.Mitchell V Current Facilities 601 V.1 Pulsed Neutron Sources and Facilities 601 MasatoshiArai V.2 Reactor Overview 621 ColinJ.Carlile Index 643 Preface T oward peaceful and safe human life, technology science, including nanotech- nology,biotechnology,andinformationtechnology,isoneofthekeysciencesinthe twenty-firstcentury,besidestheenvironmentalandenergysciences.Suchtechnology scienceiscomplementarytomaterialsscience,analyticalmethodology,andrelated sciences. One of the innovations in analytical methodology is the development of neutron and synchrotron research in a category of “big science.” Neutron and synchrotron facilities, which are out-of-laboratory level, have been improved in scaleandqualitywiththesupportofnationalprojectsinseveralcountries.Consid- ering the situation that new neutron sources will lead to, a steep increase in the numberofusersofneutronfacilitiescannotberuledout.Accordingly,thereisaneed of an adequate guidebook or textbook on neutron science. Neutron beam used in a neutron facility is of short wavelength. Besides, the analysisofneutronresearchgivesusinformationofsmallrangelikenanoscale.Thus, newresearchforchemicalandbiologicalobjectswillbeundertakenbecauseofthe demand for an adequate tool for micro- and nanostructure research and for fast dynamics research of atomic location in materials. Considering such scientific requirement, we seek to publish a specialized book on neutron research. Different from already published professional books on neutron, this book focuses on instrumentationaswellastheoryand/orapplications;eachofthesectionsoftheory, instrumentation, and applications is well described by contributors with deep knowledge and expertise in the field. In Chapter I, the basic concepts of neutron scattering are briefly discussed. Chapter II meticulously describes instrumentation such as small-angle neutron scattering,neutronreflectometry,quasiandinelasticneutronscattering,andneutron imaging. Chapter III elucidates data treatment and sample environment for conve- nience of the users. Some practical applications are exemplified for soft matters like small molecules, linear polymers, dendritic polymers, gels, and proteins in Chapter IV. Finally, Chapter V deals with the current facilities based on pulsed neutron source and reactor. Thisbookonneutronresearchisusefulforchemists,particularlythoseinthesoft matterfield;however,itisalsovaluableforphysicistsandbiologistsastheyalways look for a blow-by-blow account of neutron research. This book also includes the basictechnologicaltermsrelatedtothefield.Itisexpectedthatsuchacomprehensive book will prove useful to many scientists and engineers, who are already utilizing or will utilize neutron facilities, as well as readers who are interested in neutron vii viii Preface research.Inaddition,itisahighlyinformativetextbookforpostgraduatestudentsand researchers of neutron science. The editors greatly wish to acknowledge all contributors for their enormous contributions. We also appreciate Ms. Hanako Ishida at the Institute for Chemical Research, Kyoto University, for designing the cover picture of the book. It is a pleasuretothankallthestaffinourlaboratoryandthecolleaguesintheinstitution who helped us in bringing out this book. We acknowledge Japan Atomic Energy Agency for kind transfer permission of the aerial photograph of J-PARC. We are particularlyindebtedtoourfamilyfortheiremotionalsupportandpatienceshowed duringthecompilingofthisbook.Wethankourpublishersfortheirgreatsupportfor this project. Finally, Toyoko Imae would like to thank other editors and Dr. Koji Mitamuraforshowingtheir unlimitedperseveranceanduntiringenergyduringthe editing process. TOYOKO IMAE TOSHIJI KANAYA MICHIHIRO FURUSAKA NAOYATORIKAI Contributors Michael Agamalian, Neutron Scattering Science Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA (Chapter II.1.3.1) MasatoshiArai,J-PARCCentre,JapanAtomicEnergyAgency,Tokai-mura,Japan (Chapter V.1) David G. Bucknall, Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA, USA (Chapter IV.6) Richard A. Campbell, Institut Laue-Langevin, Grenoble, France (Chapter III.5) Colin J. Carlile, Lund University, ESS Scandinavia Secretariat, Lund, Sweden (Chapter V.2) Bernhard Frick, Institut Laue-Langevin, Grenoble, France (Chapter II.3.2) Barbara J. Gabrys, Department of Materials, University of Oxford, Oxford, UK (Chapter IV.3) Mitsuhiro Hirai, Department of Physics, Gunma University, Maebashi, Japan (Chapter III.4) Toyoko Imae, National Taiwan University of Science and Technology, Honors College, Graduate Institute of Engineering, Taipei, Taiwan (Chapter IV.2) Toshiji Kanaya, Institute for Chemical Research, Kyoto University, Uji, Japan (Chapter IV.3) MikioKataoka,GraduateSchoolofMaterialsScience,NaraInstituteofScienceand Technology, Ikoma, Japan (Chapter IV.5) Satoshi Koizumi, Strongly Correlated Supermolecule Group, Quantum Beam Sci- enceDirectorate,JapanAtomicEnergyAgency,Tokai-mura,Japan(ChapterII.1.3.2) Peter V. Konarev, EMBL c/o DESY, Hamburg, Germany (Chapter III.3) Ruep E. Lechner, Guest at Helmholtz-Zentrum Berlin, Berlin, Germany (Chapter II.3.3) Tsang-Lang Lin,DepartmentofEngineeringandSystemScience, NationalTsing Hua University, Hsinchu, Taiwan (Chapter IV.1) Peter Lindner, Institut Laue-Langevin, Grenoble, France (Chapter III.5) ix x Contributors Ferenc Mezei, LANSCE, Los Alamos National Laboratories, Los Alamos, NM, USA (Chapter I.1) KojiMitamura,JapanScienceandTechnologyAgency,ExploratoryResearchfor Advanced Technology (JST/ERATO), Takahara Soft Interfaces Project, Fukuoka, Japan (Chapter IV.2) Michael Monkenbusch, Institut fu¨r Festko¨rperforschung, Forschungszentrum Ju¨lich, Ju¨lich, Germany (Chapter II.3.1) Kell Mortensen, Department of Natural Sciences, Faculty of Life Sciences, University of Copenhagen, Frederiksberg, Denmark (Chapter II.1.1) Geoffrey R. Mitchell, Centre for Advanced Microscopy, University of Reading, Reading, UK (Chapter IV.7) Hiroshi Nakagawa, Neutron Biophysics Group, Japan Atomic Energy Agency, Tokai-mura, Japan (Chapter IV.5) DanNeumann,NISTCenterforNeutronResearch,NationalInstituteofStandards and Technology, Gaithersburg, MD, USA (Chapter II.3.2) ToshiyaOtomo,InstituteofMaterialsStructureScience,HighEnergyAccelerator Research Organization (KEK), Tsukuba, Japan (Chapter II.1.2) DieterRichter,Institutfu¨rFestko¨rperforschung,ForschungszentrumJu¨lich,Ju¨lich, Germany (Chapter II.3.1) Ralf Schweins, Institut Laue-Langevin, Grenoble, France (Chapter III.5) Hideki Seto, Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK), Tsukuba, Japan (Chapter III.2) Mitsuhiro Shibayama, Neutron Science Laboratory, Institute for Solid State Physics, The University of Tokyo, Kashiwa, Japan (Chapter IV.4) Dmitri I. Svergun, EMBL c/o DESY, Hamburg, Germany (Chapter III.3) NobuyukiTakenaka,DepartmentofMechanicalEngineering,GraduateSchoolof Engineering, Kobe University, Kobe, Japan (Chapter II.4) Naoya Torikai, Department of Chemistry for Materials, Graduate School of Engineering, Mie University, Tsu, Japan (Chapter II.2) George D. Wignall, Neutron Scattering Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA (Chapter III.1) FigureII.1.3.1.10 The2DrepresentationofBraggdiffractionandTDSfromSi(111)crystalat y ¼45o. B FigureII.3.1.10 SpacefilingmodeloftheproteinADHinitsformasdimer.Thebindingofthecofactor NADisindicated.TheNSEexperimentwasperformedonatetramericformofADH,whichcorresponds totheassociationoftwoofthesedimers.