NATL INST. OF STAND i TECH R.I.C. NBS REFERENCE Publi- AlllDM bSVEbS cations ii 'i-."'- NBS TECHNICAL NOTE 1 1 90 ./ \ ^ ^'"feAU o* U.S. DEPARTMENT OF COMMERCE/National Bureau of Standards NBS Reactor: Summary of Activities July 1982 Through June 1983 w -QC — i' IGG .U5753 No. 1190 19J4 NATIONAL BUREAU OF STANDARDS The National Bureau of Standards' was established by an act ot Congress on March 3, 1901. The Bureau's overall goal is to strengthen and advance the Nation's science and technology and facilitate their effective application for public benefit. To this end, the Bureau conducts research and provides: (1) a basis for the Nation's physical measurement system, (2) scientific and technological services for industry and government, (3) a technical basis for equity in trade, and (4) technical services to promote public safety. The Bureau's technical work is per- formed by the National Measurement Laboratory, the National Engineering Laboratory, and the Institute for Computer Sciences and Technology. THE NATIONAL MEASUREMENT LABORATORY provides the national system of physical and chemical and materials measurement; coordinates the system with measurement systems of other nations and furnishes essential services leading to accurate and uniform physical and chemical measurement throughout the Nation's scientific community, industry, and commerce; conducts materials research leading to improved methods of measurement, standards, and data on the properties of materials needed by industry, commerce, educational institutions, and Government; provides advisory and research services to other Government agencies; develops, produces, and distributes Standard Reference Materials; and provides calibration services. The Laboratory consists of the following centers: Absolute Physical Quantities' — Radiation Research — Chemical Physics — Analytical Chemistry — Materials Science THE NATIONAL ENGINEERING LABORATORY provides technology and technical ser- vices to the public and private sectors to address national needs and to solve national problems; conducts research in engineering and applied science in support of these efforts; builds and maintains competence in the necessary disciplines required to carry out this research and technical service; develops engineering data and measurement capabilities; provides engineering measurement traceability services; develops test methods and proposes engineering standards and code changes; develops and proposes new engineering practices; and develops and improves mechanisms to transfer results of its research to the ultimate user. The Laboratory consists of the following centers: Applied Mathematics — Electronics and Electrical Engineering- — Manufacturing Engineering — Building Technology — Fire Research — Chemical Engineering- THE INSTITUTE FOR COMPUTER SCIENCES AND TECHNOLOGY conducts research and provides scientific and technical services to aid Federal agencies in the selection, acquisition, application, and use of computer technology to improve effectiveness and economy in Government operations in accordance with Public Law 89-306 (40 U.S.C. 759), relevant Executive Orders, and other directives; carries out this mission by managing the Federal Information Processing Standards Program, developing Federal ADP standards guidelines, and managing Federal participation in ADP voluntary standardization activities: provides scientific and technological advisory services and assistance to Federal agencies; and provides the technical foundation for computer-related policies of the Federal Government. The Institute consists of the following centers: Programming Science and Technology — Computer Systems Engineering. 'Headquarters and Laboratories at Gailhersburg, MD, unless otherwise noted; mailing address Washington, DC 20234. 'Some divisions within the center are located at Boulder, CO 80303. NA-:iONAL BUREAU OF STANDASDS NBS Reactor: LIBR'ARY Summary of Activities ^^ Juiy 1982 Through '^o June 1983 ^f^f^^ No . 1 — 1 9 c Frederick J. Shorten, Editor Reactor Radiation Division National Measurement Laboratory National Bureau of Standards Washington, DC 20234 Q * ^'"JfAU Of U.S. DEPARTMENT OF COMMERCE, Malcolm Baldrige, Secretary NATIONAL BUREAU OF STANDARDS, Ernest Ambler, Director Issued April 1 984 National Bureau of Standards Technical Note 1 1 90 Natl. Bur. Stand. (U.S.), Tech. Note 11 90, 202 pages (Apr. 1984) CODEN: NBTNAE U.S. Government Printing Office Washington: 1984 For sale by the Superintendent of Documents, U.S. Government Printing Office, Washington, DC 20402 . FOREWORD The National Bureau of Standards Reactor was built not only to serve the needs of the NBS but also those of other government agencies as a National Center for the application of neutron methods to problems of national interest. The Reactor Radiation Division was established to operate the reactor and to foster its scientific and technological use. Toward this end, the Division has a small nucleus of scientists experienced in the use of reactors for a wide range of scientific and technical problems. In addition to pursuing their own research and developing sophisticated experimental facilities, they actively seek out and encourage collaboration with other scientists engaged in challenging programs whose work can benefit from use of the reactor, but who as yet do not have the reactor experience necessary to take full advantage of the facilities available. The Division also provides irradiation services to a wide variety of users as well as engineering and other technical services. The reactor operates at 10 MW and is designed to provide more than 25 experimental facilities ranging from intense neutron beams to extensive irradiation facilities, making it one of the most versatile high flux research reactors in the country. Thus, it is able to serve a large number of scientists and engineers in a broad range of activities both within and outside the NBS. This report attempts to summarize all the work done which is dependent on the reactor including a large number of programs outside the Division. The first section summarizes these programs carried out by scientists in the Reactor Radiation Division and their collaborators. The second section summarizes NBS work originating entirely outside the Division which requires no collaboration with Division scientists. The section entitled, "Service Programs," covers those programs originating outside NBS but for which the Division provides irradiation services. The remaining sections are self-explanatory Appreciation is extended to F. J. Shorten of the Reactor Radiation Division for his extensive contributions to the editing, organization, and preparation of this report, and T. Lindstrom, P. Andrew, S. Long, S. Tassey, and N. Rhyne for efforts in typing manuscripts. ft.yi> ^L^-^ R. S. Carter Chief, Reactor Radiation Division National Bureau of Standards XXI ABSTRACT This report summarizes all those programs which depend on the NBS reactor. It covers the period from July 1982 through June 1983. The programs range from the use of neutron beams to study the structure and dynamics of materials through nuclear physics and neutron standards to sample irradiations for activation analysis, isotope production, radiation effects studies, neutron radiography, and nondestructive evaluation. Key words: Activation analysis; crystal structure; diffraction; isotopes; molecular dynamics; neutron; neutron radiography; nondestructive evaluation; nuclear reactor; radiation. DISCLAIMER Certain trade names and company products are identified in order to adequately specify the experiment procedure. In no case does such identification imply recommendation or endorsement by the National Bureau of Standards, nor does it imply that the products are necessarily the best available for the purpose. IV 2 TABLE OF CONTENTS FOREWORD iii ABSTRACT iv A. REACTOR RADIATION DIVISION AND COLLABORATIVE PROGRAMS ..... 1 The Effect of Slit Height on Peak Positions, Widths, and Shapes in Powder Diffraction 1 The Structure of La^WO.Cl_ 3 3 6 3 Study of Hydrogen Bonds in Ca KH (PO.). 2H 4 Structure Studies of the Superionic Conductor System NA, Zr„Si P_ 0,^ 1 +x 2 X 3-x 1 (NASICON) 9 The Structures of Lithium Inserted Metal Oxides; Li„FeV_Oo 12 2 3 o Neutron and X-Ray Diffraction Study on Polymorphism in Lithium Orthotantalate Li TaO^ U The Crystal Structure of Lithium Zirconate, Li,Zr^O„ 18 2 I Studies of Zeolite Structure by Neutron Powder Diffraction 21 The Structure of Synthetic Zeolite Omega 25 Active Site of RNase: Neutron Diffraction Study of a Complex with Uridine Vanadate, A Transition State Analog 26 Microvoid Formation in Ammonium Nitrate 29 Nondestructive Characterization of Sub-Surface Residual Stress 31 Crystal Data (Produced by Automated Typesetting Procedures) 3^ Progress Report on a Study of Specialized Lattices Using Matrix and Reduction Techniques 36 Space Group Frequencies for Organic Compounds 39 An Empirical Method for the Approximation of Densities 52 Thermal Properties of (KCN) (KBr) in the Quadrupolar Glass State ... 56 •X. I X structure of Alkali Cyanide and Mixed Alkali Cyanide-Alkali Halide Crystals 57 Critical Behavior and Magnetic Ordering in Amorphous TbFe^ 59 Short Range Magnetic Ordering in Y^(Fe, Mn )^^ 61 6 1 -X X 23 Deuterium Site Occupation and Magnetism in Ho^Fe D Compounds 63 Spin Dynamics of Fe^ Ni^^P ^B, 65 Reentrant Spin Glass Behavior in Amorphous (Fe Ni,^^ )^^G1^^ 68 X 100-x 75 25 Spin Dynamics of Dilute Pd._ Fe Ferromagnets 71 I A X Magnetic Phase Transition in the Superconductor