3 Workshop Organization Co-Chair M. R. Eskildsen (University of Notre Dame) B. Khaykovich (Massachusetts Institute of Technology) Program Advisory Committee M. K. Crawford (DuPont) K. W. Herwig (Oak Ridge National Laboratory) S. W. Jorgensen (General Motors) Y.-J. Kim (University of Toronto) T. L. Kuhl (University of California, Davis) S. Krueger (NIST Center for Neutron Research) C. Leighton (University of Minnesota) R. J. McQueeney (Iowa State University) F. Meilleur (Oak Ridge National Laboratory/North Carolina State University) B. D. Olsen (Massachusetts Institute of Technology) E. H. Snell (SUNY-Buffalo) N. Wagner (University of Delaware) S. D. Wilson (University of California, Santa-Barbara) P. M. Woodward (Ohio State University) Workshop Support T. M. Holder T. K. Sawyer 4 Table of Contents Abbreviations, Acronyms, and Initialisms .................................................................................................... 8 1. Workshop Summary ........................................................................................................................... 12 2. Introduction and Background ............................................................................................................. 14 2.1 Future Science Needs for Neutrons and Their Role .................................................................. 14 2.1.1 Quantum Materials ....................................................................................................... 15 2.1.2 Soft Matter ................................................................................................................... 15 2.1.3 Biology ......................................................................................................................... 16 2.1.4 Materials Discovery, Characterization, and Application ............................................. 17 2.2 Addressing Future Science Challenges with the Second Target Station .................................. 18 3. Science Discussion Working Group Summaries ................................................................................ 18 3.1 Membranes and Thin Films ...................................................................................................... 19 3.2 Structure and dynamics of biomacromolecules, large Complexes, and intrinsically disordered systems .................................................................................................................. 22 3.3 Colloids, self-assembled surfactants, charged polymers in solution, polymer networks, hydrogels, nanocomposites and hierarchical systems ............................................................. 23 3.4 Dynamics in soft matter, glasses, gels, transport in soft matter, and active soft matter ............ 24 3.5 Hetero- and Nano-Structured Materials .................................................................................... 27 3.6 Bulk Functional Materials and Emergent States of Matter ....................................................... 29 3.7 In situ chemical reactions and catalysts .................................................................................... 31 3.8 Advanced Functional Materials ................................................................................................ 33 3.9 Advanced Energy Materials ...................................................................................................... 35 3.10 Engineering Materials ............................................................................................................... 37 4. Instrument and Technique Working Group Summaries ..................................................................... 39 4.1 Powder Diffraction .................................................................................................................... 39 4.2 Single-Crystal Diffraction ......................................................................................................... 40 4.3 SANS ........................................................................................................................................ 42 4.4 Reflectometry ............................................................................................................................ 44 4.5 Direct Geometry Spectrometers ................................................................................................ 48 4.6 High-Resolution Backscattering and Neutron Spin Echo ......................................................... 50 4.7 Inverse geometry spectrometers for chemical spectroscopy ..................................................... 52 4.8 Imaging and Engineering Diffraction ....................................................................................... 54 4.9 Fundamental Physics................................................................................................................. 56 Appendix 1. WORKSHOP Agenda .............................................................................................................. 3 Appendix 2. Workshop worksheets. ............................................................................................................. 5 Appendix 3. Current and Proposed Neutron Sources at ORNL .................................................................... 7 A3.0 Introduction ................................................................................................................................. 7 A3.1 Source Characteristics and Strengths .......................................................................................... 8 A3.2 STS Instrument Strategies ............................................................................................................ 9 Appendix 4. Instrument Concepts ............................................................................................................... 11 A.4.1 EWALD – Enhanced Wide Angle Laue Diffractometer .......................................................... 12 A.4.2 HighResPD – High-Resolution Powder Diffractometer ........................................................... 14 A.4.3 NeSCry – Neutron Single Crystal Diffractometer .................................................................... 16 A.4.4 VERDI – Versatile Diffractometer for Complex Magnetic Structures ..................................... 18 A.4.5 MENUS - Materials Engineering by NeUtron Scattering ......................................................... 19 A.4.6 BWAVES – Broad-range Wide Angle Velocity Selector ......................................................... 21 A.4.7 CHESS – Chopper Spectrometer for Small Samples ................................................................ 23 A.4.8 HERTZ—High Energy Resolution Terahertz Spectrometer .................................................... 25 A.4.9 JANUS – INS Instrument for Catalysis .................................................................................... 27 A.4.0 MBARS – Mica Backscattering Spectrometer ......................................................................... 29 5 A.4.11 SPHIINXS – Spherical Indirect Inelastic Crystal Spectrometer ............................................. 31 A.4.12 XTREME-X – Extreme Environment Multi-Energy Spectrometer with Crystal Analyzers ................................................................................................................................ 33 A.4.13 CAMEA - Indirect time of flight spectrometer ....................................................................... 35 A.4.14 HiRes-SWANS – High Resolution Small/Wide Angle Neutron Scattering ........................... 37 A.4.15 ZEEMANS – High Magnetic Field Beam Line ...................................................................... 38 A.4.16 FLOODS – Flux-Optimized Order/Disorder SANS ............................................................... 40 A.4.17 M-STAR – Magnetism-Second Target Advanced Reflectometer .......................................... 42 A.4.18 WASABI –Wide and Small Angles with Big Intensity .......................................................... 44 A.4.19 QIKR – Quite Intense Kinetics Reflectometer ........................................................................ 46 A.4.20 VBPR – Variable Beam Profile Reflectometer ....................................................................... 48 A.4.21 POPCORN -- Polychromatic Phase-Contrast Neutron Imaging ............................................. 50 A.4.22 nEDM@STS – A neutron electric dipole moment (EDM) experiment at the second target station ............................................................................................................................ 51 Appendix 5. Workshop Participants ........................................................................................................... 53 6 7 ABBREVIATIONS, ACRONYMS, AND INITIALISMS 3D 3-dimensional AC alternating current DNP dynamic nuclear polarization DOE Department of Energy DYPol dynamically polarized crystallography ESS European Spallation Source FI ferromagnetic insulator FTS first target station FWHM full width at half maximum GID grazing incidence diffraction GI-SANS grazing incidence small angle scattering GINS grazing incidence neutron scattering HFIR High Flux Isotope Reactor Hz Hertz IDPs intrinsically disordered proteins IDRs intrinsically disordered protein regions ILL Institut Laue-Langevin INS inelastic neutron scattering IR infared J-PARC Japan Proton Accelerator Research Complex LDRD Laboratory Directed Research and Development