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At least 523 records · Page 29

Polarized 3 He in Neutron Scattering (Final Report)

We propose to extend the technique of polarized neutron scattering into new domains by continued development and application of polarized 3 He spin-filters. These devices are particularly relevant to the Spallation Neutron Source, as the polarizing monochromators historically used at reactor sources will usually not be suitable polarizers, and wide-angle polarization analysis will be essential. With prior support from the Office of Science, we have developed neutron spin-filters based on the large spin dependence of the cross section for neutron capture by 3 He, and applied these devices to a small angle neutron scattering spectrometer (SANS), polarized neutron reflectometers, a thermal energy single crystal diffractometer (SCD), and a thermal energy triple-axis instrument. Our developments have been adopted for application on the magnetism reflectometer at the SNS and for the NIST Center for Neutron Research (NCNR) 3He user capability. Results from both these programs are emerging. We have made significant progress in the past grant period on wide-angle polarization analysis. We have also performed several studies relevant to continuous optical pumping, including collaboration on experiments that have revealed neutron beam effects on spin filters that are continuously pumped by spin-exchange optical pumping. We contributed to an experiment on a neutron interferometer, in which the successful results obtained are directly related to both 3He cell technology and high accuracy 3 He-based neutron polarimetry. Implementation of wide-angle polarization analysis will continue to be key thrust for our work in this new proposal. We will also focus on continuous optical pumping and the fundamental issues that determine the achievable 3 He polarization. This project will be carried out by a collaboration involving scientists at NIST, Indiana University, Hamilton College, and the Univ. of Wisconsin who are experts in 3 He polarization techniques, and materials scientists from the NCNR, SNS, and LENS who are neutron scattering experts. We will collaborate with the staff in the new programs at the NCNR and SNS. In addition, we will welcome the opportunity to interact with other laboratories.

36 MATERIALS SCIENCE↗

A Quasi-Ordered Mn-Rich Cathode with Highly Reversible Oxygen Anion Redox Chemistry

Anionic oxygen redox chemistry in Li-rich Mn-based layer oxide cathodes represents a transformative approach for boosting the energy density of next-generation lithium-ion batteries. However, conventional oxygen redox reactions often induce oxygen dimerization at high voltages, leading to irreversible lattice oxygen loss and a rapid voltage fade. Herein, we achieve highly reversible oxygen redox chemistry through a new quasi-ordered structural design that incorporates both intra- and interlayer cation disorder configurations. This unique structure significantly enhances lattice oxygen stability, effectively stabilizes oxidized oxygen, and inhibits the formation of peroxo- or superoxol-like species, thereby enabling anionic redox reactions to proceed reversibly even at deep delithiation states. The quasi-ordered design mitigates irreversible phase transitions and preserves the structural integrity throughout extended cycling. Consequently, the proposed cathode demonstrates exceptional cyclability with negligible capacity and voltage fade, retaining 99% capacity and 98% average voltage after long-term cycling. Finally this work provides fresh insights into addressing issues related to lattice oxygen instabilities and reforming strategies for developing long-life, high-energy-density anionic redox cathode materials for advanced batteries.

chemical structure↗

Active Neutron and Gamma-Ray Instrumentation for In Situ Planetary Science Applications

We describe the development of an instrument capable of detailed in situ bulk geochemical analysis of the surface of planets, moons, asteroids, and comets. This instrument technology uses a pulsed neutron generator to excite the solid materials of a planet and measures the resulting neutron and gamma-ray emission with its detector system. These time-resolved neutron and gamma-ray data provide detailed information about the bulk elemental composition, chemical context, and density distribution of the soil within 50 cm of the surface. While active neutron scattering and neutron-induced gamma-ray techniques have been used extensively for terrestrial nuclear well logging applications, our goal is to apply these techniques to surface instruments for use on any solid solar system body. As described, experiments at NASA Goddard Space Flight Center use a prototype neutron-induced gamma-ray instrument and the resulting data presented show the promise of this technique for becoming a versatile, robust, workhorse technology for planetary science, and exploration of any of the solid bodies in the solar system. The detection of neutrons at the surface also provides useful information about the material. This paper focuses on the data provided by the gamma-ray detector.

Parsons, A.↗

Material Profile Influences in Bulk-Heterojunctions

he morphology in mixed bulk-heterojunction films are compared using three different quantitative measurement techniques. We compare the vertical composition changes using high-angle annular dark-field scanning transmission electron microscopy with electron tomography and neutron and x-ray reflectometry. The three measurement techniques yield qualita-tively comparable vertical concentration measurements. The presence of a metal cathode during thermal annealing is observed to alter the fullerene concentration throughout the thickness of the film for all measurements. However, the abso-lute vertical concentration of fullerene is quantitatively different for the three measurements. The origin of the quantitative measurement differences is discussed. The authors thank Luna Innovations, Inc. for donating the endohedral fullerenes used in this study and Plextronics for the P3HT. They are gratefully thank the National Science Foundation Energy for Sustainability Program, Award No. 0933435. This work benefited from the use of the Lujan Neutron Scattering Center at Los Alamos Neutron Science Center funded by the DOE Office of Basic Energy Sciences and Los Alamos National Laboratory under DOE Contract DE-AC52-06NA25396. This research was also supported in part by Laboratory Directed Research & Development program at PNNL. The Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy under contract DE-AC05-76RL01830.

blends↗

Time-Resolved Data Acquisition for In Situ Subsurface Planetary Geochemistry

The current gamma-ray/neutron instrumentation development effort at NASA Goddard Space Flight Center aims to extend the use of active pulsed neutron interrogation techniques to probe the subsurface geochemistry of planetary bodies in situ. All previous NASA planetary science missions, that used neutron and/or gamma-ray spectroscopy instruments, have relied on a constant neutron source produced from galactic cosmic rays. One of the distinguishing features of this effort is the inclusion of a high intensity 14.1 MeV pulsed neutron generator synchronized with a custom data acquisition system to time each event relative to the pulse. With usually only one opportunity to collect data, it is difficult to set a priori time-gating windows to obtain the best possible results. Acquiring time-tagged, event-by-event data from nuclear induced reactions provides raw data sets containing channel/energy, and event time for each gamma ray or neutron detected. The resulting data set can be plotted as a function of time or energy using optimized analysis windows after the data are acquired. Time windows can now be chosen to produce energy spectra that yield the most statistically significant and accurate elemental composition results that can be derived from the complete data set. The advantages of post-processing gamma-ray time-tagged event-by-event data in experimental tests using our prototype instrument will be demonstrated.

Bodnarik, Julia Gates↗

Time-resolved Neutron-gamma-ray Data Acquisition for in Situ Subsurface Planetary Geochemistry

The current gamma-ray/neutron instrumentation development effort at NASA Goddard Space Flight Center aims to extend the use of active pulsed neutron interrogation techniques to probe the subsurface elemental composition of planetary bodies in situ. Previous NASA planetary science missions, that used neutron and/or gamma-ray spectroscopy instruments, have relied on neutrons produced from galactic cosmic rays. One of the distinguishing features of this effort is the inclusion of a high intensity 14.1 MeV pulsed neutron generator synchronized with a custom data acquisition system to time each event relative to the pulse. With usually only one opportunity to collect data, it is difficult to set a priori time-gating windows to obtain the best possible results. Acquiring time-tagged, event-by-event data from nuclear induced reactions provides raw data sets containing channel/energy, and event time for each gamma ray or neutron detected. The resulting data set can be plotted as a function of time or energy using optimized analysis windows after the data are acquired. Time windows can now be chosen to produce energy spectra that yield the most statistically significant and accurate elemental composition results that can be derived from the complete data set. The advantages of post-processing gamma-ray time-tagged event-by-event data in experimental tests using our prototype instrument will be demonstrated.

Pulsed neutrongenerator↗

2022 American Conference on Neutron Scattering (ACNS 2022)

The 11th American Conference on Neutron Scattering (ACNS 2022) will be held on June 5-9, 2022, in Boulder, CO. The Conference will provide essential information on the breadth and depth of current neutron-related research worldwide. Hosted by the Neutron Scattering Society of America, this year’s Conference will feature a combination of invited and contributed talks, poster sessions, and tutorials. Topics of the conference are: Advances in Neutron Facilities, Instrumentation and Software: Developments in sources, instrumentation, sample environments and control software. Hard Condensed Matter: Magnetism, correlated metals, quantum/topological materials, superconductors, ferroelectrics, multiferroics, glasses, and disorder phenomena. Submissions outlining examples of neutron scattering in industrial and engineering applications involving hard condensed matter systems are also encouraged. Soft Matter: Neutron studies of soft materials and related fields including in situ and in operando studies. Polymers, surfactants, emulsions, gels, nanoparticles, colloidal suspensions and more. Submissions of computational studies or applications of machine learning beneficial to neutron scattering experiments, as well as examples of neutron scattering in industrial and engineering applications are strongly encouraged. Biology, Biophysics and Biotechnology: Neutron studies of biological and biologically relevant systems. Proteins, bio membranes, biological assemblies, natural materials, nucleic acids, drug-delivery platforms and biomedical systems. Submissions of computational studies or applications of machine learning beneficial to biological neutron scattering experiments, as well as examples of neutron scattering in applied research involving biological systems, are strongly encouraged. Materials Chemistry and Energy: Neutron-based studies of functional materials and materials for energy applications. Examples include porous materials such as metal organic frameworks (MOFs), zeolites; phosphors; novel pigments; electrolytes; catalysts; ionic conductors/cathode materials; photovoltaic materials (hybrid perovskites); thermoelectrics; magnetocalorics/electrocalorics. Structural Materials and Engineering: Neutron scattering studies of materials and engineering processes including structural materials, concrete and metals, as well as engineering processes including combustion, corrosion, additive manufacturing, and others. Neutron Physics: Fundamental physical studies of the neutron and related areas. Emerging Applications in Neutron Scattering: Machine Learning and Data Science: Advances in computing power have contributed to rapidly evolving machine learning and data science fields that can be leveraged to the benefit of the neutron scattering community. The purpose of this session is to highlight recent advances in machine learning and data science and to serve as the foundation of a parallel data and computation track highlighting computation advances and applications in neutron scattering throughout the conference.

36 MATERIALS SCIENCE↗

A science-driven approach to optimize the design for a biological small-angle neutron scattering instrument

Biological small-angle neutron scattering (SANS) instruments facilitate critical analysis of the structure and dynamics of complex biological systems. However, with the growth of experimental demands and the advances in optical systems design, a new neutron optical concept is necessary to overcome the limitations of current instruments. This work presents an approach to include experimental objectives ( i.e. the science to be supported by a specific neutron scattering instrument) in the optimization of the neutron optical concept. The approach for a proposed SANS instrument at the Second Target Station of the Spallation Neutron Source at Oak Ridge National Laboratory, USA, is presented here. Further, the instrument is simulated with the McStas software package. The optimization process is driven by an evolutionary algorithm using McStas output data, which are processed to calculate an objective function designed to quantify the expected performance of the simulated neutron optical configuration for the intended purpose. Each McStas simulation covers the complete instrument, from source to detector, including realistic sample scattering functions. This approach effectively navigates a high-dimensional parameter space that is otherwise intractable; it allows the design of next-generation SANS instruments to address specific scientific cases and has the potential to increase instrument performance compared with traditional design approaches.

47 OTHER INSTRUMENTATION↗

Implementation of a laser–neutron pump–probe capability for inelastic neutron scattering

Knowledge about nonequilibrium dynamics in spin systems is of great importance to both fundamental science and technological applications. Inelastic neutron scattering (INS) is an indispensable tool to study spin excitations in complex magnetic materials. However, conventional INS spectrometers currently only perform steady-state measurements and probe averaged properties over many collision events between spin excitations in thermodynamic equilibrium, while the exact picture of re-equilibration of these excitations remains unknown. In this paper, we report on the design and implementation of a time-resolved laser–neutron pump–probe capability at hybrid spectrometer (beamline 14-B) at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory. This capability allows us to excite out-of-equilibrium magnons with a nanosecond pulsed laser source and probe the resulting dynamics using INS. Here, we discussed technical aspects to implement such a capability in a neutron beamline, including choices of suitable neutron instrumentation and material systems, laser excitation scheme, experimental configurations, and relevant firmware and software development to allow for time-synchronized pump–probe measurements. We demonstrated that the laser-induced nonequilibrium structure factor is able to be resolved by INS in a quantum magnet. In conclusion, the method developed in this work will provide SNS with advanced capabilities for performing out-of-equilibrium measurements, opening up an entirely new research direction to study out-of-equilibrium phenomena using neutrons.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Pressure tuning of competing interactions on a honeycomb lattice

Exchange interactions are mediated via orbital overlaps across chemical bonds. Thus, modifying the bond angles by physical pressure or strain can tune the relative strength of competing interactions. Here we present a remarkable case of such tuning between the Heisenberg (J) and Kitaev (K) exchange, which respectively establish magnetically ordered and spin liquid phases on a honeycomb lattice. We observe a rapid suppression of the Néel temperature (T N ) with pressure in Ag 3 LiRh 2 O 6 , a spin-1/2 honeycomb lattice with both J and K couplings. Using a combined analysis of x-ray data and first-principles calculations, we find that pressure modifies the bond angles in a way that increases the ∣K/J∣ ratio and thereby suppresses T N . Consistent with this picture, we observe a spontaneous onset of muon spin relaxation (μSR) oscillations below T N at low pressure, whereas in the high pressure phase, oscillations appear only when T < T N /2. Unlike other candidate Kitaev materials, Ag 3 LiRh 2 O 6 is tuned toward a quantum critical point by pressure while avoiding a structural dimerization in the relevant pressure range.

36 MATERIALS SCIENCE↗

Principles of Neutron Scattering from Condensed Matter. By Andrew T. Boothroyd. Oxford University Press, 2020. Pp. 512. Price GBP 55.00. ISBN 9780198862314.

Neutron scattering user facilities are increasingly used by ‘non-expert’ users, opening neutron scattering to new science fields and greatly increasing the scientific impact of these facilities. This book aims to bring the needed introduction to the expanding area of neutron scattering techniques to this wider audience of scientists using neutron scattering as part of their experimental portfolio. In my opinion, it completely succeeds in that goal and provides the right balance of introduction and in-depth discussion. I also like the layout of the book, with some figures and notes in the margin making it easy to read and navigate. As a ‘long-time’ neutron scatterer, I am excited to add this book to my book shelf.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗