H+ Cu2+ ON THE COVER Neutron powder diffraction pattern of a chabazite zeolite that is a good candidate for CO2 absorption, indicating high selectivity sites. See the highlight article by Hudson et al. on p.16 NIST Center for Neutron Research 2012 Accomplishments and Opportunities NIST Special Publication 1143 Robert M. Dimeo, Director Ronald L. Cappelletti, Editor December 2012 National Institute of Standards and Technology Patrick Gallagher, Under Secretary of Commerce for Standards and Technology, Director U.S. Department of Commerce Rebecca Blank, Acting Secretary 2012 ACCOMPLISHMENTS AND OPPORTUNITIES DISCLAIMER Certain commercial entities, equipment, or materials may be identified in this document in order to describe an experimental procedure or concept adequately. Such identification is not intended to imply recommendation or endorsement by the National Institute of Standards and Technology, nor is it intended to imply that the entities, materials, or equipment are necessarily the best available for the purpose. National Institute of Standards and Technology Special Publications 1143 Natl. Inst. Stand. Technol. Spec. Publ. 1143, 92 pages (December 2012) CODEN: NSPUE2 U.S. GOVERNMENT PRINTING OFFICE­ WASHINGTON: 2012 For sale by the Superintendent of Documents, U.S. Government Printing Office Internet: bookstore.gpo.gov Phone: 1.866.512.1800 Fax: 202.512.2104 Mail: Stop SSOP Washington, DC 20402-0001 NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY – NIST CENTER FOR NEUTRON RESEARCH This page intentionally left blank so that highlight articles can be displayed as two pages side-by- side. Table of Contents of Contents Table FOREWORD . .iii . THE NIST CENTER FOR NEUTRON RESEARCH . 1 NIST CENTER FOR NEUTRON RESEARCH INSTRUMENTS . 2 NCNR IMAGES 2011 . 4 HIGHLIGHTS ARCHEOLOGY Foreigners or not: new data prior to the Maya collapse in the western lowlands of mesoamerica, R. Bishop, et al. ........................................................................ 6 BIOLOGY Walking the line between life and death: membrane binding and regulation of the PTEN tumor suppressor, S. S. Shenoy, et al. ............................................... 8 Towards the elucidation of antiboitic resistance transfer in bacteria: structural studies of the Tral protein, N.T. Wright, et al. (CHRNS) .............................................10 Structures and conformations of voltage-sensor domains and voltage-gated K+ channel proteins, S. Gupta, et al. .......................................................... 12 The role of electrostatic interactions in the local dynamics of biological and synthetic polyelectrolytes, J.H. Roh, et al. (CHRNS) ........................................... 14 CHEMICAL PHYSICS Powder neutron diffraction reveals new CO2 adsorption interactions in chabazite zeolites, M.R. Hudson, et al. (CHRNS) .................................................... 16 Evolving structure of the solid electrolyte interphase in Li-ion batteries characterized by in situ neutron reflectometry, J.A. Dura, et al. .............................................. 18 Activated dihydrogen bonding to a supported organometallic compound, J.M. Simmons, et al. (CHRNS) ..........................................................20 CONDENSED MATTER Electronic delocalization in the correlation gap insulator LaMnPO, J.W. Simonson, et al. ............... 22 Spin-orbital short-range order on a honeycomb-based lattice, S. Nakatsuji, et al. (CHRNS) ............. 24 Common origin of the two types of magnetic excitations in iron chalcogenide superconductors, Songxue Chi, et al. (CHRNS) ..............................................26 Correlation between spin-flop transition and enhanced spin polarized supercurrents in ferromagnetic Josephson junctions, C. Klose, et al. ............................................ 28 2+ 3+ Charge ordering and magnetic frustration in the fluoride pyrochlore, RbFe Fe F6, S.W. Kim, et al. ...... 30 2012 ACCOMPLISHMENTS AND OPPORTUNITIES Table of Contents Table Table of Contents ENGINEERING Measuring yield stresses in biaxial deformation, T. Gnäupel-Herold, et al. ........................... 32 NEUTRON PHYSICS A new limit on time-reversal violation in beta decay, H.P. Mumm, et al. ............................ 34 SOFT MATTER Self-assembling organohydrogels: liquid dispersions with solid-like behavior, M.E. Helgeson, et al. (CHRNS) ..........................................................36 Thickness fluctuations in model membranes, A.C. Woodka, et al. (CHRNS) ......................... 38 Electrochemical Small-Angle Neutron Scattering (eSANS) for studies of nanoparticle redox reactions, V.M. Prabhu, et al. (CHRNS) ...............................................40 Identifying the shape of copper-seamed nanocapsules in solution, H. Kumari, et al. (CHRNS) ..........42 Characterizing dense polymer-nanoparticle mixtures by neutron scattering, S.Y. Kim, et al. (CHRNS) .....44 ADVANCES IN MEASUREMENT A Liquid Deuterium Cold Neutron Source for the NBSR, R.E. Williams, et al. ...................... 46 EXPANSION ACTIVITIES DURING THE PLANNED OUTAGE . 47 NEUTRON SOURCE OPERATIONS . 52. FACILITY DEVELOPMENT . 53. SERVING THE SCIENCE AND TECHNOLOGY COMMUNITY . 57 THE CENTER FOR HIGH RESOLUTION NEUTRON SCATTERING (CHRNS) . 60. 2012 AWARDS . 64 PUBLICATIONS: AUGUST 1, 2011 TO JULY 31, 2012 . 66 INSTRUMENTS AND CONTACTS . .86 . NIST CENTER FOR NEUTRON RESEARCH CONTACTS . (inside back cover) NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY – NIST CENTER FOR NEUTRON RESEARCH Foreword Foreword t is with pleasure that I present this year’s annual report for the NIST Center for Neutron Research. When looking back over the last year, the only word that I can use to describe this time period is dynamic. User operations were successful and productive, the reactor operating for 142 days out of a scheduled 142 days. The cold source continued to operate reliably and deliver neutrons 99 % of the Ischeduled operating time. This period was marked by considerable scientific productivity and impact as the highlights in this report illustrate. The productivity is due to many factors, but it is worth noting that the number of user experiments on the MACS spectrometer continued to grow as the amount of time available to the user community was increased, industrial research participation on many of the neutron instruments, especially uSANS, was strong, and research opportunities with other laboratories grew, particularly in the area of biology and biosciences. Moreover, significant progress was made towards bringing the isotope labeling laboratory on line which will certainly prove to be a valuable resource for NCNR users. This year was also marked by a period of many facility enhancements that can best be described as historic. On April 3, the reactor shut down, as planned, for a period of 11 months. As I described in last year’s annual report this outage was scheduled in order to execute many tasks towards the expansion of our cold neutron measurement capability and enhance the reliability of the reactor. A few of the activities include installation of a new neutron guide system in our expanded guide hall which will hold new and relocated instruments, installation of a new cold source dedicated to the MACS instrument, relocation of MACS, and installation of a new cooling system for the reactor’s thermal shield. In addition significant construction in and around the site has taken place during the outage, including the construction of a new secondary cooling system, the addition of a new cooling tower cell, and additional electrical capacity. The commencement and execution of this outage marks the culmination of a significant amount of planning and coordination as well as the hard work and diligent efforts of our staff, especially those from Reactor Operations and Engineering and Research Facility Operations. You can read more about the progress we have made during the outage within this report and on our website: http://www. ncnr.nist.gov/expansion2/ where you will find technical details and photos. I am also pleased to inform you of the release this year of an informal history, “The NIST Center for Neutron Research: Over 40 Years Serving NIST/NBS and the Nation”, by Jack Rush and Ron Cappelletti, NIST Special Publication 1120. Contained therein is an account of major events of the NCNR spanning the period from conception of the NIST reactor to the NCNR Expansion Project. As of this writing we just announced our first call for proposals for experiments to be run upon restart of the reactor. In just a few short months the reactor will restart and users will return to the NCNR. The reason for the outage and expansion is for you, our users. I am looking forward to restoration of user operations and especially offering new measurement capabilities that our expansion project will provide through the coming year. I invite you to take a look at the research highlights from the past year as well as the description of what we have been up to during the outage. As you read through this report, I hope you get the same sense of excitement and opportunity that we are all feeling here. 2012 ACCOMPLISHMENTS AND OPPORTUNITIES iii A view of new guides emerging into the guide hall in a Nov . 6, 2012 photo The group of people is standing by NG-D, emerging through the square hole just to their right . Behind them are shields blocking the view of the newly installed PBR and MAGIk instruments, taking beams off the side of NG-D The guide visible just behind the striped safety marker is NG-C,