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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Final Technical Report Structural Dynamics in Complex Liquids Studied with Multidimensional Vibrational Spectroscopy

This grant supported work in the Tokmakoff lab at the University of Chicago aimed at understanding the fundamental properties of water at a molecular level, and how water participates in proton transport in aqueous media. The physical properties of water and aqueous solutions are inextricably linked with efforts to develop new sustainable energy sources. Energy conversion, storage, and transduction processes, particularly those that occur in biology and soft matter, make use of water for the purpose of storing and moving charge. Water’s unique physical and chemical properties depend on the ability of water molecules to participate in up to four hydrogen bonds, and the rapid fluctuations and ultrafast energy dissipation of its hydrogenbonded networks. Our work during the grant period led to advances in four areas: (1) the generation of short pulses of broadband infrared light (BBIR) for use in time-resolved twodimensional spectroscopy (2D IR), (2) the investigation of the spectroscopy and transport of excess protons in water, (3) the study of aqueous hydroxide to describe the interaction of the ion and water and the dynamics of proton transfer, and (4) the coupled motion of water and its hydrogen-bonding solutes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

"Structure and dynamics in complex chemical systems: Gaining new insights through recent advances in time-resolved spectroscopies.” ACS Division of Physical Chemistry Symposium presented at the Fall National ACS Meeting in Boston, MA, August 2015

8-Session Symposium on STRUCTURE AND DYNAMICS IN COMPLEX CHEMICAL SYSTEMS: GAINING NEW INSIGHTS THROUGH RECENT ADVANCES IN TIME-RESOLVED SPECTROSCOPIES. The intricacy of most chemical, biochemical, and material processes and their applications are underscored by the complex nature of the environments in which they occur. Substantial challenges for building a global understanding of a heterogeneous system include (1) identifying unique signatures associated with specific structural motifs within the heterogeneous distribution, and (2) resolving the significance of each of multiple time scales involved in both small- and large-scale nuclear reorganization. This symposium focuses on the progress in our understanding of dynamics in complex systems driven by recent innovations in time-resolved spectroscopies and theoretical developments. Such advancement is critical for driving discovery at the molecular level facilitating new applications. Broad areas of interest include: Structural relaxation and the impact of structure on dynamics in liquids, interfaces, biochemical systems, materials, and other heterogeneous environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Enrichment Meter Dataset from High-Resolution Gamma Spectroscopy Measurements of U3O8 Enrichment Standards and UF6 Cylinder Wall Equivalents

The Enrichment Meter Principle (EMP) is the basis for a commonly used standard test method for the non-destructive assay of 235 U enrichment in bulk compounds [1]. The technique involves determining the net count rate in the direct 186 keV peak using medium or high energy gamma-ray spectrometry in a fixed geometry. With suitable correction for wall attenuation, compound type, rate loss (live time), and peaked background (if significant), the atom fraction of 235 U may be obtained from the counting rate from a linear relationship through the origin. The widespread use of this method for field verification of enrichment [2,3] together with the fact that the response function rests on fundamental physics considerations (i.e., is not represented by a convenient but arbitrary form) makes it an interesting example of uncertainty quantification, one in which one can expect a valid measurement model can be applied. When applied using NaI(Tl) and region of interest analysis, the technique is susceptible to both interference error and bias [2-4]. When implemented using high-resolution gamma-ray spectroscopy, the spectrum interpretation is considerable simplified and more robust [5]. However, a practical challenge to studying the uncertainty budget of the EMP method (for example, to test linearity, extract wall corrections and so forth using modern methods) is the availability of quality experimental data that can be referenced and shared. To fill this gap, the research team undertook an experimental campaign [6]. A measurement campaign was conducted to produce high-resolution gamma spectroscopy enrichment meter data comparable to UF 6 cylinder measurements. The purpose of this report is to provide both an introduction to and quality assurance (QA) of the raw data produced. This report is intended for the analyst or researcher who uses the raw data. Unfortunately, the raw data (i.e., the spectra files) are too voluminous to include in this report but can be requested from Steven Croft of the Safeguards & Security Technology Group (scroft@ornl.gov 865-241-2834). The complete processed data are tabulated in Appendix A. The analysis techniques used to produce the QA data presented in this report [e.g., three regions-ofinterest (ROI) peak extraction and batch analysis processes] are not the most sophisticated techniques available; analysts are encouraged to reanalyze the raw data using more sensitive techniques and to improve upon the results presented here. With that being said, the analysis techniques used here are more than adequate to present and inspect the quality of the data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

HPGe System Gamma Spectroscopy Data Analysis

The purpose of this administrative procedure is to describe the analysis of gamma spectroscopy data. This procedure specifies how gamma spectroscopy data are used to identify and quantify radioactivity in sample waste items.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

High-resolution Gamma Spectroscopy Measurements of Pressurized Water Reactor Spent Nuclear Fuel Rods

International nuclear safeguards use nondestructive assay techniques to verify declared characteristics of spent nuclear fuel (SNF) assemblies. The declared characteristics usually include the initial enrichment, assembly average burnup, and irradiation history. The primary nondestructive assay tool used by the International Atomic Energy Agency has been the fork detector irradiated fuel measurement system, which uses gross gamma and neutron correlations; however, there have been several research publications within the last decade on the use of high-resolution gamma spectroscopy for the determination of SNF characteristics. References [1]–[6] are published journal articles on this subject from 2006–2016. This report describes measurements of 25 individual SNF rods using high-resolution gamma spectroscopy. Details of the measurement geometry, measurement settings, and rod characteristics are documented. These spectra are intended for the validation of simulation codes that calculate SNF inventory and source term characteristics. The spectrum archive is available to evaluate future spectrum analysis methods. The archive contains full axial scan spectra of each SNF rod. This allows more detailed comparison between simulation and nondestructive analysis than is possible on assemblies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Nuclear Spectroscopy for the Exploration of Mars and Beyond

Nuclear spectroscopy will continue to play a critical role in planetary exploration in the next decade, including searching for habitable environments and biosignatures, identifying ideal targets for in-situ resource utilization, and continuing its track record in understanding planetary evolution. Nuclear spectroscopy is the only technique that provides bulk geochemical abundance at depth, at a range of spatial scales depending on platform.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Connecting Activation Calculations with Gamma Spectroscopy

For many years Lawrence Livermore National Laboratory (LLNL) has used gamma spectroscopy to determine quantities of radioactive nuclides created by irradiation of stable species with neutrons and light charged particles. LLNL has also maintained activation codes and nuclear cross sections for the purpose of modeling activations under the experimental conditions, and the cross section sets used in those calculations typically include nuclear isomers. Connecting the measurements to activation calculations that include isomers is a non-trivial matter because an activation calculation must be followed by a procedure for bookkeeping of calculated isomer populations after the irradiation to simulate what radiochemists would infer about isotope populations from gamma spectroscopy performed days or weeks after the irradiation. Traditionally we have used the method of “isomer sums” for this bookkeeping. This report explains our formulation of isomer sums and application to specific cross section sets for different nuclides that were detected.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

Investigating the Curing Process of Epoxy Thermosets by Near-Infrared (nIR) Spectroscopy

Near-Infrared (nIR) Spectroscopy is a type of absorption spectroscopy that may be used to study the curing process of thermosetting epoxy-based resins like Eccostock FFP. This is accomplished by monitoring the absorption bands of the epoxy oxirane ring, which decrease in intensity with increasing degree of cure. Relative to epoxy absorption bands in the mid-IR region, those in the nIR range exhibit less overlap, allowing for a more accurate analysis of cure kinetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

The transient properties of 2D magnets: from mechanical exfoliation to ultrafast optical spectroscopy of CrX 3 materials

The discovery of two-dimensional (2D) systems hosting intrinsic long-range magnetic order represents a seminal achievement, adding to the already diverse array of physics supported by layered van der Waals (vdW) materials. This finding has spurred great interest among the research community, with efforts aimed at uncovering their fundamental properties and light- matter interactions. A prototypical example of a 2D magnetic material is Crl 3 , where the strong relationship between crystalline structure and magnetic order, along with strong light- matter interactions, provide a promising platform to explore the nature of couplings between magnetism and the other degrees of freedom at the 2D limit. In this report, we highlight our efforts involving the use of time-resolved magneto-optical Kerr effect (TR-MOKE) spectroscopy to probe the magnetization and vibrational dynamics of Crl 3 . These measurements reveal evidence of strong exchange-mediated coupling between lattice vibrations and spin oscillations. Additionally, we discuss our related efforts to explore other material from the Chromium trihalide family through mechanical exfoliation to support subsequent optical spectroscopy investigations.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Instantaneous Three-Dimensional Temperature Measurements via Ultrafast Laser Spectroscopy with Structured Light

Detonations and flames are characterized by three-dimensional (3D) temperature fields, yet state-of- the-art temperature measurement techniques yield information at a point or along a line. The goal of the research documented here was to combine ultrafast laser spectroscopy and structured illumination to deliver an unprecedented measurement capability—three-dimensional, instantaneous temperature measurements in a gas-phase volume. To achieve this objective, different parts of the proposed technique were developed and tested independently. Structured illumination was used to image particulate matter (soot) in a turbulent flame at multiple planes using a single laser pulse and a single camera. Emission spectroscopy with structured detection was demonstrated for emission- based measurements of explosives with enhance dimensionality. Finally, an instrument for multi- planar laser-based temperature measurement technique was developed. Structured illumination techniques will continue to be developed for multi-dimensional and multi-parameter measurements. These new measurement capabilities will be important for heat transfer and fluid dynamic research areas.

42 ENGINEERING↗
DOE OSTI2021

Femtosecond Reflectance Spectroscopy for Energetic Material Diagnostics

Understanding the fundamental mechanisms underpinning shock initiation is critical to predicting energetic material (EM) safety and performance. Currently, the timescales and pathways by which shock-excited lattice modes transfer energy into specific chemical bonds remains an open question. Towards understanding these mechanisms, our group has previously measured the vibrational energy transfer (VET) pathways in several energetic thin films using broadband, femtosecond transient absorption spectroscopy. However, new technologies are needed to move beyond these thin film surrogates and measure broadband VET pathways in realistic EM morphologies. Herein, we describe a new broadband, femtosecond, attenuated total reflectance spectroscopy apparatus. Performance of the system is benchmarked against published data and the first VET results from a pressed EM pellet are presented. This technology enables fundamental studies of VET dynamics across sample configurations and environments (pressure, temperature, etc .) and supports the potential use of VET studies in the non-destructive surveillance of EM components.

42 ENGINEERING↗
DOE OSTI2021

Li Isotope Signatures using Optical Spectroscopies

The primary goal of this work is to investigate the detection capabilities of laser ablation molecular isotopic spectrometry (LAMIS) and Raman spectroscopy for lithium isotopic determination as related to Li enrichment activities. LAMIS is an emerging spectroscopic technique that takes advantage of the fact that molecules exhibit much larger isotopic wavelength shifts in molecular emission spectra than their atomic counterparts. Raman spectroscopy has been shown to exhibit isotopic shifts if a given molecular vibration involves the isotope of interest. Both techniques are comprised of the same basic hardware: a spectrometer, a laser system (pulsed for LAMIS, pulsed or CW for Raman), and an intensified charge-coupled device (ICCD). Shifts in Raman spectra due to lithium isotopes in Li 2 C0 3 and LiOH*H 2 0 were observed. LAMIS measurements of the same compounds have not been successful yet, as no lithium containing molecular emissions have been identified to this point. However, an isotopic shift of the self-reversal of an atomic lithium emission was observed, which is another optical technique used to measure isotopes.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2022

Doppler-Free Saturation Spectroscopy (DFSS) for Magnetic and Electric Field Measurements in an FRC plasma

The Cooperative Research and Development Agreement (CRADA) between Oak Ridge National Laboratory (ORNL) and TAE Technologies (TAE) focused on a feasibility study of Doppler-free saturation spectroscopy (DFSS) as a diagnostic strategy to measure the internal magnetic and electric fields of TAE’s C-2W field-reversed configuration (FRC) fusion device. Non-perturbative measurements of magnetic and electric fields in the core of FRCs can provide critical information needed to constrain equilibrium models and for the continued advancement of the fusion research program at TAE. DFSS is a well-established, laser-based absorption spectroscopy technique used to suppress inhomogeneous (Doppler) broadening linewidths and reveal Zeeman/Stark split hyperfine structures of target emission lines. The collaboration involved the use of ORNL’s suite of experimentally validated quantum mechanical modelling codes to simulate theoretical atomic spectra for a variety of machine parameters and laser beam configurations. TAE’s expertise was heavily used to provide measurements/models of the required machine parameters needed as inputs to the simulations. Results of an all-encompassing error analysis demonstrate the favourable capabilities of the diagnostic and provided invaluable insights as to how DFSS can be best used to accurately measure internal B/E-fields in C-2W.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Meson Spectroscopy at CLAS and CLAS12: an overview of selected results

Hadron spectroscopy is a valuable tool to experimentally investigate the low-energy, non-perturbative QCD regime, corresponding to the dominant manifestation of the strong force in Nature, in terms of hadrons that constitute the bulk of the visible mass of the Universe. In particular, the measurement of the mesons spectrum, searching for exotic states not compatible with the Quark Model, would provide access to the gluonic degrees of freedom that bind particles together. A broad program to study meson spectroscopy in the light quark sector started at Jefferson Laboratory during the previous 6-GeV period. The CLAS experiment in Hall B used a Bremmstrahlung tagged photon beam impinging on a proton target to provide the first measurement of many photoproduction reactions. Currently, in the 12-GeV era, the MesonEx experiment continues this physics effort, exploiting the larger beam energy and intensity. MesonEx employs low-Q2 electron scattering as a technique to produce an intense and highly energetic quasi-real photon beam. In the experiment, the low-angle scattered electron is measured in a dedicated detector, the Forward Tagger, in coincidence with final state hadrons measured in the CLAS12 spectrometer. In this talk, after discussing some selected results from the CLAS program, I'll present the ongoing MesonEx experiment, showing some preliminary results.

Celentano, Andrea↗
DOE OSTI2019

Meson Spectroscopy: a Perspective from GlueX

In the last 15 years collaborations world-wide have contributed to the discovery of many exotic candidate states, such as those made from two quarks and two antiquarks. With these discoveries there has been renewed interest in spectroscopy and in particular, searches for other such particles. Thomas Jefferson National Accelerator Facility is home to the GlueX experiment which uses a 12 GeV electron beam incident on a diamond radiator to produce a linearly polarized, coherent Bremsstrahlung photon beam. The primary goal of GlueX is to search for so-called exotic hybrid mesons (comprised of a quark, an anti quark, and a gluon) by first mapping out the conventional spectrum of mesons starting with the often poorly understood excited vector mesons. Photoproduction at these energies is relatively unexplored and the use of a polarized beam allows GlueX to discriminate between various production mechanisms which may aid in the identification of exotic hybrid mesons. Successfully commissioned in 2015, GlueX has recently completed data taking for its first phase (GlueX-I) which represents orders of magnitude more statistics than previous photoproduction experiments. In this talk we will present an overview of the spectroscopy being performed at Jefferson Lab with a focus on GlueX.

Britton, Thomas↗
DOE OSTI2018

Excitations of the Nucleon – N* spectroscopy with CLAS

Baryon spectroscopy began in 1952 with the discovery of the first Δ resonance by Fermi and collaborators. By the mid-1980s a sizeable collection of resonances had been identified in pion-Nucleon scattering, and particle physics left this field for higher-energy pastures, confident that a basic understanding of the Nstar spectrum was at least close, if not exactly in hand. With time, refinements of the quark model provided a systematic ordering to the observations but, annoyingly, predicted the existence of many more states than had been observed, which lead to speculations of mechanisms that restricted the degrees of freedom. Only recently (2011) have theoretical advances finally allowed a direct computation of the nucleon spectrum in Lattice-QCD, with the startling confirmation of large numbers of "missing" excited states. With the advent of new facilities, the last decade has seen a renaissance of sorts in photo-meson production experiments, in which polarization has been used to constrain the production amplitudes to a degree not achieved in π+N reactions, and a great many new Nstar candidates are emerging. The additional flexibility in the 4-momentum transfer has been used with electron scattering to probe the excitation process and the role of the meson cloud. Highlights in the context of the CLAS N* spectroscopy program at Jefferson Lab will be reviewed.

Sandorfi, Andrew↗
DOE OSTI2023

On-line Measurement of Hydrogen Gas using Raman Spectroscopy for Process Gas Systems

Advanced reprocessing schemes such as the Zircex process are important for continued development of the nuclear fuel cycle. The hydrochlorination reaction of the Zircex process flow sheet for metallic fuels has a known off-gas stream of H 2 (g) and HCl. The flow sheet can be simplified through HCl recycling, which requires detection and quantification of any residual H 2 (g) for safety and purity. In this work, commercially available Raman spectroscopy was applied for low-level, on-line detection of H 2 (g) in process gas streams, and parameters were adjusted to optimize the H 2 (g) Raman signal. Increasing the number of scans and exposure time in the spectrometer increased the signal-to-noise ratio of the H 2 (g) Raman signal, while the gas flow rate was optimized at 2.3 L/min. The limit of detection for H 2 (g) was estimated to be 2,100 ppm H 2 (g) in an N 2 (g) background. This scoping study for the application of Raman spectroscopy for on-line measurements of H 2 (g) shows that H 2 (g) can be detected at low levels (approximately 5% of the lower explosive limit (LEL)) in flowing gas streams.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Raman Spectroscopy Based On-Line, Real-Time Monitoring to Reduce Composition Uncertainties: Enhanced sensitivity through optimization of Raman Parameters

Optical spectroscopy-based on-line monitoring of Hanford processing streams can enable real-time characterization of chemical composition of process streams and batches, ultimately enabling and enhancing process control. It can provide immediate feedback on process conditions and has the potential to reduce the needed number of grab sample collections, thereby reducing times and costs associated with laboratory processing. Here we discuss the utilization of Raman spectroscopy to quantify multiple target analytes that are common within Hanford tanks and waste processing streams. Analytes include: nitrate, nitrite, carbonate, chromate, sulfate, phosphate, hydroxide, oxalate, ammonia, and aluminate. Most notably in this work, Raman applications to low-concentration streams are explored and optimized. Raman instrument specifications are compared; specifically, the impact of utilizing three different Raman excitation wavelengths, 405, 532, and 671 nm, is discussed. Also, Raman data collection parameters such as collection time and spectral averaging are measured and discussed. Finally, optical libraries of chemical targets were collected using optimized collection parameters and chemometric models were built to automate quantification of chemical targets. These models were validated through application to simulants and real Hanford process samples. Chemometric models performed well on both training and validation sets, suggesting these approaches can be successfully applied to on-line and real-time monitoring of low concentration Hanford processing streams. The use of the combine Raman wave lengths with the enhanced chemometric models for the low concentration streams significantly improved the chemical detection levels and significantly reduced uncertainties of those measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗