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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Synthesis and Spectroscopic Studies of Phenanthroimidazole-Imine Derivatives and Evaluation of Their Antioxidant Activity

The phenanthroimidazole derivatives are used in the drug industry in large scale. In this study four new phenanthroimidazole-imine derivatives were synthesized and their spectroscopic studies as well as their antioxidant behaviors were examined. Structural analyses were made by FT-IR, {sup 1}H-NMR, {sup 13}C-NMR, LC-MS spectroscopy techniques. UV–vis absorption and emission spectroscopy techniques have been used to determine the photophysical characteristics of four newly synthesized phenanthroimidazoles. The maximum absorption and emission wavelengths, molar extinction coefficients (ε), singlet energy levels (Es), Stokes’ shift values (Δλ) of phenanthroimidazole-imine derivatives are given. Additionally, the antioxidant behavior of all compounds were investigated which the ascorbic acid used as standard molecule in present study.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

New Opportunities for Neutrons in Environmental and Biological Sciences

The use of neutron methods in environmental and biological sciences is rapidly emerging and accelerating with the development of new instruments at neutron user facilities. This article, based on a workshop held at Oak Ridge National Laboratory (ORNL), offers insights into the application of neutron techniques in environmental and biological sciences. Here we highlight recent advances and identify key challenges and potential future research areas. These include soil and rhizosphere processes, root water dynamics, plant-microbe interactions, structure and dynamics of biological systems, applications in synthetic biology and enzyme engineering, next-generation bioproducts, biomaterials and bioenergy, nanoscale structure, and fluid dynamics of porous materials in geochemistry. We provide an outlook on emerging opportunities with an emphasis on new capabilities that will be enabled at the Spallation Neutron Source Second Target Station currently under design at ORNL. The mission of scientific neutron user facilities worldwide is to enable science using state-of-the-art neutron capabilities. We aim to encourage researchers in the environmental and biological research community to explore the unique capability afforded by neutrons at these facilities.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A New Method for Polishing Laminated Dissimilar Metals

Here, this paper presents a novel method for preparing metallographic samples of laminated dissimilar metals, specifically a layered structure of zirconium (Zr), vanadium (V), and tungsten (W), which pose a challenge due to their differing crystal structures and hardness levels. The work was motivated by the need to develop a cladding for tungsten targets in spallation neutron sources, where a zirconium face is applied over an interlayer of either vanadium or titanium to prevent the formation of brittle intermetallic compounds such as ZrW 2 . Traditional polishing techniques prove inadequate because each constituent metal requires a different polishing approach based on its unique material properties. The methodology outlined includes a sequential process involving conductive epoxy mounting, successive grinding and polishing with specific abrasives, and a final chemical-mechanical polish using a colloidal silica-based solution. Optical microscopy confirmed that this multi-step process successfully produced scratch-free surfaces and minimized surface relief across the different metal interfaces. Although developed for refractory metals, this approach shows promise for other layered structures comprised of transition metals, offering a meticulous yet effective technique for high-quality metallographic sample preparation.

Newberry, Daniel [Oak Ridge National Laboratory (O↗
DOE OSTI2023

An overview of polarized neutron instruments and techniques in Asia Pacific

Polarized neutron scattering is an indispensable tool for exploring a vast range of scientific phenomena. With its dynamic scientific community and significant governmental support as well as the rapid economic growth, the Asia–Pacific region has become a key player in the worldwide neutron scattering arena. From traditional research reactors to cutting-edge spallation neutron sources, this region is home to a myriad of advanced instruments offering a wide range of polarized neutron capabilities. This review aims to provide a comprehensive overview of the development and current status of polarized neutron instruments and techniques in the Asia–Pacific region, emphasizing the important role of the Asia–Pacific region in shaping the landscape of global polarized neutron scattering development.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Thermal scattering law of C 2 H 4 n : Integrating experimental data with DFT calculations

Improvements in determination of the thermal scattering law of moderator materials (measuring, calculating and validating) are important for accurate prediction of neutron thermalization in nuclear systems. In this paper a methodology for producing thermal scattering libraries from the experimental data for polyethylene C 2 H 4 n is discussed. Double differential scattering cross section (DDSCS) experiments were performed at the Spallation Neutron Source of Oak Ridge National Laboratory (SNS ORNL). New scattering kernel evaluations, based on phonon spectrum for C 2 H 4 n , are created using the NJOY2016 code. Two different methods were used: direct and indirect geometry neutron scattering at ARCS and SEQUOIA, and VISION instruments, respectively, where the phonon spectrum was derived from the dynamical structure factor S(Q, ω ) obtained from the measured DDSCS. In order to compare and validate the newly created library, the experimental setup was simulated using MCNP6.1. Compared with the current ENDF/B-VII.1, the resulting RPI C 2 H 4 n libraries improved both double differential scattering and total scattering cross sections. A set of criticality benchmarks containing C 2 H 4 n from HEU-MET-THERM resulted in an overall improved calculation of K eff , although the libraries should be tested against benchmarks more sensitive to C 2 H 4 n . The DFT + oClimax method is used and is shown to be most comprehensive method for analysis of moderator materials. Finally, the importance of DFT + oClimax method lies in the fact that it can be validated against all data measured at VISION, ARCS and SEQUOIA, and experimental total scattering cross section measurements.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Toward a better thermal scattering law of (C 5 O 2 H 8 ) n : Inelastic neutron scattering and oClimax + NJOY2016

With the advancements in technology (both experimental and computational) the determination of the“true” experimental phonon spectrum became more accessible. Here a methodology for producing thermal scattering libraries from the experimental data (namely the DFT+oClimax method) for lucite (C 5 O 2 H 8 ) n is discussed. Double differential scattering cross section (DDSCS) experiments were performed at the Spallation Neutron Source of Oak Ridge National Laboratory (SNS ORNL). Novel scattering kernel evaluations, based on the phonon spectrum for (C 5 O 2 H 8 ) n ,were created using oClimax and NJOY2016 codes. In order to compare and asses the performance of the newly created library, the experimental setup was simulated using MCNP6.1. Compared to the current ENDF/B-VIII.0, the resulting RPI (C 5 O 2 H 8 ) n library improved the calculation of both double differential scattering and total scattering cross sections. A set of criticality benchmarks containing (C 5 O 2 H 8 ) n from HEU-MET-THERM resulted in an overall improved calculation of K eƒƒ . The DFT + oClimax method is shown to be the most comprehensive method for analysis of moderator materials, due to the fact that it can be verified against all data measured at VISION, ARCS and SEQUOIA neutron spectrometers at SNS ORNL, and experimental total scattering cross section measurements. This technique also provides a new technique for calculating any phonon spectrum-related quantities such as scattering law kernel, specific heat capacity, thermal conductivity, etc. for any solid state material.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Improving the work function of the niobium surface of SRF cavities by plasma processing

An in situ plasma processing technique using chemically reactive oxygen plasma to remove hydrocarbons from superconducting radio frequency cavity surfaces at room temperature was developed at the spallation neutron source, at Oak Ridge National Laboratory. To understand better the interaction between the plasma and niobium surface, surface studies on small samples were performed. In this article, we report the results from those surface studies. The results show that plasma processing removes hydrocarbons from top surface and improves the surface work function by 0.5₋1.0 eV. Improving the work function of RF surface of cavities can help to improve their operational performance.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Properties of immobile hydrogen confined in microporous carbon

The mobility of H2 confined in microporous carbon was studied as a function of temperature and pressure using inelastic neutron scattering, and the translational and rotational motion of H2 molecules has been probed. At low loading, rotation of H2 molecules adsorbed in the smallest carbon pores (~6 ) is severely hindered, suggesting that the interaction between H2 and the host matrix is anisotropic. At higher loading, H2 molecules behave as nearly free rotor, implying lower anisotropic interactions with adsorption sites. At supercritical temperatures where bulk H2 is a gas, the inelastic spectrum of confined H2 provides evidence of a significant fraction of immobile, solid-like hydrogen. The onset temperature for molecular mobility depends strongly on the loaded amount. The fraction of immobile molecules increases with pressure and attains a plateau at high pressures. Surprisingly, immobile H2 is present even at temperatures as high as ~110 K. This research at ORNL s Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U. S. Department of Energy. This research was supported in part by the ORNL Postdoctoral Research Associates Program, administered jointly by the ORNL and the Oak Ridge Institute for Science and Education. CIC and NCG acknowledge support from the Materials Science and Engineering Division, Office of Basic Energy Sciences, U.S. Department of Energy.

08 HYDROGEN↗
DOE OSTI2021

Producing cement clinker assemblages in the system: CaO-SiO2-Al2O3-SO3-CaCl2-MgO

Highlights: • Alinite formation conditions are optimised. • Ye'elimite and alinite cannot be simultaneously produced. • Ternesite and chlormayenite are compatible at 1150 °C. • Alite is formed at a reduced temperature of 1300 °C. • Wadalite and chlorellestadite can incorporate chloride in cement clinker assemblages. The cement industry is carbon-intensive, and the valorisation of industrial side-streams/residuals for use as alternative raw materials can enable the cement industry to reduce its carbon footprint as well as promote resource efficiency. Apart from key clinker ingredients such as CaO, Al{sub 2}O{sub 3}, and SiO{sub 2}, industrial residues can also contain MgO, CaCl{sub 2}, and SO{sub 3}. Therefore, this study investigates the formation of cement clinker assemblages in the system CaO-SiO{sub 2}-Al{sub 2}O{sub 3}-SO{sub 3}-CaCl{sub 2}-MgO at temperatures ranging between 1100 and 1300 °C. The production of a clinker composed mainly of alinite and ye'elimite is first attempted; it is found that these phases cannot be simultaneously produced. Ternesite is also not compatible with alinite under the conditions studied. Wadalite is compatible with both ye'elimite and ternesite, while ternesite is also compatible with chlormayenite at 1150 °C. Additionally, the low-temperature formation of alite was also observed with the presence of CaCl{sub 2} in the raw-material mix.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Nanoadsorbents based on conducting polymer nanocomposites with main focus on polyaniline and its derivatives for removal of heavy metal ions/dyes: A review

Highlights: • Nanoadsorbents based on conductive polymers can remove heavy metal ions/dye. • Contact time, pH, adsorbent dosage and temperature are effective adsorption factors. • Chemical structures of nanoadsorbents play an important role in adsorption. • Adsorption of metal ions on PANI based nanocomposites is of physical type. Water contamination by toxic heavy metal ions and dyes remains a serious public health problem for humans, so attention on specific methods and technologies to remove heavy metal ions and dyes from wastewaters/aqueous solutions are desired. Numerous adsorbents have been reported for the removal of heavy metal ions/dyes from wastewaters/aqueous solutions. Polyaniline (PANI) and its derivatives, as conducting polymers, are good adsorbents to remove various kinds of heavy metal ions and dyes from wastewaters/aqueous solutions. The nanoadsorbents based on PANI and its derivatives have received much consideration, and are extensively reported in literature. This review focuses on the PANI and its derivatives based on nanoadsorbents for water purification. Various types of these nanoadsorbents used for the removal of heavy metal ions/dyes from wastewaters/aqueous solutions are also briefly compared in this review.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Data-Driven Modeling of a High Capacity Cryogenic System for Control Optimization

The Cryogenic Moderator System (CMS) is responsible for maintaining a steady flow of cold neutrons for numerous physics experiments at the Spallation Neutron Source (SNS) in Oak Ridge National Laboratory (ORNL). Sudden losses in beam power, known as beam trips, cause a major disturbance to the CMS due to large step changes in cooling demands. Ongoing efforts on upgrading the neutron beam power from 1.4 to 2.0MW are expected to generate larger transients that can further strain the CMS subsystems if they are not properly controlled. To manage such disturbances, four flow valves and one electric heater are adjusted by five decentralized proportional-integral-derivative (PID) controllers. However, the original PID gains were calibrated empirically based only on tracking performance and not based on disturbance rejection. To address this issue without compromising current CMS operations, a control-oriented model was developed to recalibrate the PID controllers offline. The zero-dimensional (0-D) model was based on simple physics-based principles and data-driven system identification techniques. The CMS was broken into several subsystems for analysis, each of which corresponds to a parametric model tied to the thermodynamic states of the working fluid. The model parameters were identified using the nonlinear least squares method where the residuals were calculated from available sensor data. Simulation results show that the proposed model can capture the dynamics of the CMS at steady state and during beam trips.

Maldonado Puente, Bryan↗
DOE OSTI2020

Neutron diffraction study of magnetic ordering in high pressure phases of rare earth metal holmium

The magnetic ordering in rare earth metals is well established for ambient pressure crystal structures, however, little is known about the magnetic ordering in their corresponding high-pressure crystalline modifications. Holmium (Ho) was studied in a large-volume diamond anvil cell at the Spallation Neutron Source to high-pressure up to 20 GPa and to low-temperature to 10 K. We have conducted two independent high-pressure low-temperature experiments under non-hydrostatic and quasi-hydrostatic pressure conditions respectively. The ambient pressure hexagonal close packed (hcp) phase of holmium shows two magnetic transitions below 10 GPa one to an incommensurate Antiferromagnetic (AFM) phase and another to a conical-Ferromagnetic (c-FM) phase. In contrast, alpha-Samarium-type (α-Sm) phase above 10 GPa and the double hexagonal close packed (dhcp) phase above 19 GPa show only one FM transition marked by the appearance of a magnetic peak at 3 Å and the concurrent enhancement of nuclear peaks below 30 K. Finally, these new transitions observed by neutron diffraction can be accounted by a commensurate superlattice formation along c-axis in both the α-Sm-type phase and the dhcp phase.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Neutron diffraction discriminates between models for the nanoarchitecture of graphene sheets in glassy carbon

Glassy carbon is a chemically inert, biocompatible, disordered material with the graphene sheet as its basic building block. Structural characterisation techniques have so far been unable to provide definitive distinction between the many proposed models for its structure. Computer based simulation methods have made a step forward by predicting structure from interaction potentials, but the results are sensitive to the choice of the potential. Here we use the white neutron beam of the Spallation Neutron Source at Oak Ridge National Laboratory coupled with the SNAP time-of-flight diffractometer to sample the reciprocal space of glassy carbon and calculate accurate radial distribution functions. From the radial distribution information, we determine graphene sheet dimensions, registration, curvature, and assess defect content to rank the proposed structures in terms of their agreement with experimental data. In this work, we find that the recent models derived from empirical potentials give the best agreement.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Data Processing for the SNS EQ-SANS Diffractometer

The scattering data on the Extended Q-Range Small Angle Scattering Diffractometer at the Spallation Neutron Source are stored as neutron events. Each event has two parts: the time of fight of the detected neutron, and an identifier for the neutron's location on the detector. In addition, each event is associated with the source pulse from which the neutron is originated. Due to the high neutron beam intensity at the SNS, the size of the stored data files can easily exceed several Gigabytes. Processing and reducing these data can be very time consuming. The standard way of handling the data at the SNS has been to first transform the data into histograms. On the EQ-SANS, these histograms are further processed into intensity I vs. neutron momentum transfer Q files, I(Q). For a large data, the whole process can take many minutes to hours to complete, which severely limits the turnaround time of an experiment. Experimenters often want to reduce the data quickly and depending on the result, make decisions on the setup of next measurements. They may also need to reduce the data using different inputs and conditions. In this work, we present the implementation of a fast data processing scheme for the EQ-SANS diffractometer. The scattering data are processed directly from neutron event files into I(Q) or other desired formats, greatly reducing the needed computation time. Further speed gains are obtained by the implementation of parallel computing under the Message Passing Interface framework. Most data on the EQ-SANS can now be handled in mere seconds. The process is highly automated. All relevant experimental information that is stored in instrument configuration files are read and processed. In addition, the new implementation is highly flexible. All the data corrections and handlings can be controlled transparently through user inputs. Finally, software implementation enables the slicing of neutron event, which can be used for the study of time dependent phenomena.

Data Processing↗
DOE OSTI2012

The Implementation of a Super Mirror Polarizer at the SNS Fundamental Neutron Physics Beamline

A new bender supermirror polarizer is used to polarize the cold neutron beam at the Fundamental Neutron Physics Beamline at the Spallation Neutron Source. We present the design of a compensation magnet that was built around the polarizer to minimize the polarizer fringe fields that could compromise the magnetic field requirements of the NPDGamma experiment for the field uniformity in the spin rotator and the field direction in the liquid hydrogen target located downstream from the polarizer. The entire magnetic field environment of the experiment has been analyzed using a finite-element model. Measurements of the magnetic field gradients and field direction have been carried out and the results are less than the upper limits required in the experiment. According to the results the compensated fields meet the stringent magnetic field requirements of the experiment defined by the systematic errors that have to be well below the statistical uncertainty of 10 8 in our main observable, the gamma asymmetry in neutron capture on hydrogen. We describe the design of the magnetic field, the construction of the compensation magnet, and we compare results of the field measurements with the results from the model.

Balascuta, S.↗
DOE OSTI2014

Uniformity measurements and new positioning algorithms for wavelength-shifting fiber neutron detectors

Wavelength-shifting (WLS) fiber scintillator detectors were successfully installed at two neutron powder diffractometers at the Spallation Neutron Source (SNS). But, they have the following second-order disadvantages: (i). they cannot have both high efficiency and images free of ghosting (position misassignment) concomitantly; (ii). the apparent detection efficiency and spatial resolution are not uniform. These issues are related to the diffusion of scintillation photons and the fluctuation in the number of photons (quantum noise) collected by photo-multiplier tubes (PMTs). Therefore, to mitigate these two issues, we developed two statistics-based positioning algorithms, i.e., a centroid algorithm (CEA) and a correlation algorithm (CA). Compared with the generally used maximum-photon algorithm (MPA), CEA eliminates the ghosting with only about a 10% loss in detection efficiency, and provides better uniformity in detection efficiency and intrinsic background. CA can effectively eliminate ghosting too, but the loss of efficiency at the group boundaries of PMTs is large. Our results indicate that both algorithms can reduce the influence of quantum noise on the neutron positioning.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Design and Prototyping of an Ionization Profile Monitor for the SNS Accumulator Ring

An ionization profile monitor (IPM) has been designed for the Spallation Neutron Source (SNS) accumulator ring. Utilizing ionized electrons produced by beam-gas ionization, the SNS IPM uses a 120 kV bias potential to overcome beam space charge and accelerate electrons towards a movable particle detector. A 300 G magnetic field is used to confine the transverse electron motion, resulting in profile errors at the estimated 7% level. With a system bandwidth of 17.5 MHz. The SNS IPM is capable of measuring turn-by-turn beam profiles for a fully accumulated beam. This paper presents a description of the system and design.

Bartkoski, Dirk A↗
DOE OSTI2015

Event-Based Processing of Neutron Scattering Data

Many of the world's time-of-flight spallation neutrons sources are migrating to the recording of individual neutron events. This provides for new opportunities in data processing, the least of which is to filter the events based on correlating them with logs of sample environment and other ancillary equipment. This paper will describe techniques for processing neutron scattering data acquired in event mode that preserve event information all the way to a final spectrum, including any necessary corrections or normalizations. This results in smaller final errors, while significantly reducing processing time and memory requirements in typical experiments. Results with traditional histogramming techniques will be shown for comparison.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗