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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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DOE OSTI2017

Modeling of the Passive Permeation of Mercury and Methylmercury Complexes Through a Bacterial Cytoplasmic Membrane

Cellular uptake and export are important steps in the biotransformation of mercury (Hg) by microorganisms. However, the mechanisms of transport across biological membranes remain unclear. Membrane-bound transporters are known to be relevant, but passive permeation may also be involved. Inorganic Hg II and methylmercury ([CH 3 Hg II ] + ) are commonly complexed with thiolate ligands. Here, we have performed extensive molecular dynamics simulations of the passive permeation of Hg II and [CH 3 Hg II ] + complexes with thiolate ligands through a model bacterial cytoplasmic membrane. Here, we find that the differences in free energy between the individual complexes in bulk water and at their most favorable position within the membrane are ~2 kcal mol -1 . We provide a detailed description of the molecular interactions that drive the membrane crossing process. Favorable interactions with carbonyl and tail groups of phospholipids stabilize Hg-containing solutes in the tail–head interface region of the membrane. The calculated permeability coefficients for the neutral compounds CH3S–HgII–SCH3 and CH3HgII–SCH3 are on the order of 10 -5 cm s -1 . Finally, we conclude that small, nonionized Hg-containing species can permeate readily through cytoplasmic membranes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Spectroscopically Resolved Binding Sites for the Adsorption of Sarin Gas in a Metal–Organic Framework: Insights beyond Lewis Acidity

Here we report molecular level details regarding the adsorption of sarin (GB) gas in a prototypical zirconium-based metal–organic framework (MOF, UiO-66). By combining predictive modeling and experimental spectroscopic techniques, we unambiguously identify several unique bindings sites within the MOF, using the P=O stretch frequency of GB as a probe. Remarkable agreement between predicted and experimental IR spectrum is demonstrated. As previously hypothesized, the undercoordinated Lewis acid metal site is the most favorable binding site. Yet multiple sites participate in the adsorption process; specifically, the Zr-chelated hydroxyl groups form hydrogen bonds with the GB molecule, and GB weakly interacts with fully coordinated metals. Importantly, this work highlights that subtle orientational effects of bound GB are observable via shifts in characteristic vibrational modes; this finding has large implications for degradation rates and opens a new route for future materials design.

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

De novo fabrication of multi-heteroatom-doped carbonaceous materials via an in situ doping strategy

Finding a succinct strategy to fabricate multi-heteroatom-doped nanoporous carbonaceous materials is a long-term challenge and highly desired research topic. The key to success is the rational design of easy to obtain and functionalized precursors. Herein, de novo fabrication of carbonaceous materials doped with multiple heteroatoms namely boron, nitrogen, oxygen, fluorine, and sulfur was achieved via a one-step in situ doping procedure using task-specific ionic liquids (TSILs) as precursors. Our strategy hinges on the adoption of particularly designed TSILs with structures functionalized with (1) boron source-containing anions, (2) imidazolium functionalities as the carbon and nitrogen source, (3) nitrile groups capable of trimerization during the heating process, and (4) bis(trifluoromethanesulphonyl)imide and related anions performing as the source of heteroatoms (i.e., fluorine, nitrogen, sulfur, and oxygen) and porogens. The unique structures of the as-prepared TSILs make them qualified precursors for the production of multi-heteroatom-doped carbonaceous materials through simple thermal treatment, with surface areas up to 1021 m 2 g -1 . The introduction of multiple heteroatoms provides the carbonaceous materials with efficient adsorption performance for the capture of hazardous anionic pollutants, dyes, and neutral organic molecules. This finding expands the versatility of TSILs with multi-functionalized architectures, delivering nanoporous materials with wide applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Determinants for proton location and electron coupled proton transfer in hydrogen bonded pentafluorophenol-anion clusters

This work aims to reveal the determinant factors for proton locations and electron coupled proton transfer (ECPT) in biologically relevant hydrogen bonded systems. Pentafluorophenol-anion clusters [C6F5O-•H+•A-]- are chosen to model active sites of biological functions, with the anion A- being systematically varied to ensure the proton affinities (PAs) of the anions well cover the referenced PA of C6F5O- from being appreciably smaller, similar, and to significantly larger. Negative ion photoelectron spectroscopy of these clusters provides spectroscopic evidence showing that proton location in the anionic state is largely following the PA prediction, while ECPT is observed only for the clusters with the anion possessing the electron binding energy (EBE) significantly larger than that of the referenced C6F5O-. Theoretical calculations suggest these clusters are stabilized by forming single strong hydrogen bond between donor and acceptor, and the associated charge and MO analyses fully support the experimental observations. The current holistic cluster model study indicates that PA is the right determinant that can be used to predict the proton location and describe hydrogen bonding structures, while both PA and EBE of anionic groups play important roles in facilitating ECPT process. This work was supported by U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Science, Geosciences, and Biosciences (X.-B.W.), and performed using EMSL, a national scientific user facility sponsored by DOE’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated by Battelle Memorial Institute for the DOE. Part of this work was supported by the National Natural Science Foundation of China (No-11604046 for JZ; No. 11727810 for ZRS), as well as “Chenguang Program” by Shanghai Education Development Foundation, Shanghai Municipal Education Commission (No. 16CG38) and Natural Science Foundation of Shanghai (No. 16ZR1448100) (JZ).

Zhang, Jian↗
DOE OSTI2019

High-harmonic spectroscopy of transient two-center interference calculated with time-dependent density-functional theory

We demonstrate high-harmonic spectroscopy in many-electron molecules using time-dependent density-functional theory. We show that a weak attosecond-pulse-train ionization seed that is properly synchronized with the strong driving mid-infrared laser field can produce experimentally relevant high-harmonic generation (HHG) signals, from which we extract both the spectral amplitude and the target-specific phase (group delay). We also show that further processing of the HHG signal can be used to achieve molecular-frame resolution, i.e., to resolve the contributions from rescattering on different sides of an oriented molecule. In this framework, we investigate transient two-center interference in CO2 and OCS, and how subcycle polarization effects shape the oriented/aligned angle-resolved spectra.

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

Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray–derived conformational ensembles

How enzymes achieve their enormous rate enhancements remains a central question in biology, and our understanding to date has impacted drug development, influenced enzyme design, and deepened our appreciation of evolutionary processes. While enzymes position catalytic and reactant groups in active sites, physics requires that atoms undergo constant motion. Numerous proposals have invoked positioning or motions as central for enzyme function, but a scarcity of experimental data has limited our understanding of positioning and motion, their relative importance, and their changes through the enzyme’s reaction cycle. To examine positioning and motions and test catalytic proposals, we collected “room temperature” X-ray crystallography data for Pseudomonas putida ketosteroid isomerase (KSI), and we obtained conformational ensembles for this and a homologous KSI from multiple PDB crystal structures. Here, ensemble analyses indicated limited change through KSI’s reaction cycle. Active site positioning was on the 1- to 1.5-Å scale, and was not exceptional compared to noncatalytic groups. The KSI ensembles provided evidence against catalytic proposals invoking oxyanion hole geometric discrimination between the ground state and transition state or highly precise general base positioning. Instead, increasing or decreasing positioning of KSI’s general base reduced catalysis, suggesting optimized Ångstrom-scale conformational heterogeneity that allows KSI to efficiently catalyze multiple reaction steps. Ensemble analyses of surrounding groups for WT and mutant KSIs provided insights into the forces and interactions that allow and limit active-site motions. Most generally, this ensemble perspective extends traditional structure–function relationships, providing the basis for a new era of “ensemble–function” interrogation of enzymes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Observations of environmental quenching in groups in the 11 Gyr since z = 2.5: Different quenching for central and satellite galaxies

We present direct observational evidence for star formation quenching in galaxy groups in the redshift range 0 < z < 2.5. We utilize a large sample of nearly 6000 groups, selected by fixed cumulative number density from three photometric catalogs, to follow the evolving quiescent fractions of central and satellite galaxies over roughly 11 Gyr. At z ∼ 0, central galaxies in our sample range in stellar mass from Milky Way/M31 analogs (M{sub *}/M{sub ☉} = 6.5 × 10{sup 10}) to nearby massive ellipticals (M{sub *}/M{sub ☉} = 1.5 × 10{sup 11}). Satellite galaxies in the same groups reach masses as low as twice that of the Large Magellanic Cloud (M{sub *}/M{sub ☉} = 6.5 × 10{sup 9}). Using statistical background subtraction, we measure the average rest-frame colors of galaxies in our groups and calculate the evolving quiescent fractions of centrals and satellites over seven redshift bins. Our analysis shows clear evidence for star formation quenching in group halos, with a different quenching onset for centrals and their satellite galaxies. Using halo mass estimates for our central galaxies, we find that star formation shuts off in centrals when typical halo masses reach between 10{sup 12} and 10{sup 13} M{sub ☉}, consistent with predictions from the halo quenching model. In contrast, satellite galaxies in the same groups most likely undergo quenching by environmental processes, whose onset is delayed with respect to their central galaxy. Although star formation is suppressed in all galaxies over time, the processes that govern quenching are different for centrals and satellites. While mass plays an important role in determining the star formation activity of central galaxies, quenching in satellite galaxies is dominated by the environment in which they reside.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Holographic heat engines, entanglement entropy, and renormalization group flow

We explore a fruitful connection between the physics of conformal field theories (CFTs) in d-dimensional Minkowski spacetime and the extended gravitational thermodynamics of hyperbolic black holes in (d + 1)-dimensional anti-de Sitter spacetime. The CFTs are reduced on a region bounded by a sphere. We show that renormalization group flows between CFTs are specific thermodynamic processes in the (p,V) plane, where the irreversibility of coarse-graining flows from the ultraviolet to the infrared corresponds to the second law of thermodynamics, preventing heat from flowing from low temperature to high. We observe that holographic heat engines using the black holes as a working substance correspond to specific combinations of CFT flows and deformations. We construct three special engines whose net heat and work can be described in terms of changes of entanglement entropy across the sphere. Engine efficiencies emerge as simple functions of the ratio of the number of degrees of freedom of two CFTs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Neutron and high-resolution room-temperature X-ray data collection from crystallized lytic polysaccharide monooxygenase

Bacteria and fungi express lytic polysaccharide monooxgyenase (LPMO) enzymes that act in conjunction with canonical hydrolytic sugar-processing enzymes to rapidly convert polysaccharides such as chitin, cellulose and starch to single monosaccharide products. In order to gain a better understanding of the structure and oxidative mechanism of these enzymes, large crystals (1–3 mm 3 ) of a chitin-processing LPMO from the Gram-positive soil bacterium Jonesia denitrificans were grown and screened for their ability to diffract neutrons. In addition to the collection of neutron diffraction data, which were processed to 2.1 Å resolution, a high-resolution room-temperature X-ray diffraction data set was collected and processed to 1.1 Å resolution in space group P 2 1 2 1 2 1 . To our knowledge, this work marks the first successful neutron crystallographic experiment on an LPMO. As a result, joint X-ray/neutron refinement of the resulting data will reveal new details of the structure and mechanism of this recently discovered class of enzymes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Deeply conserved synteny and the evolution of metazoan chromosomes

Animal genomes show networks of deeply conserved gene linkages whose phylogenetic scope and chromosomal context remain unclear. Here, we report chromosome-scale conservation of synteny among bilaterians, cnidarians, and sponges and use comparative analysis to reconstruct ancestral chromosomes across major animal groups. Comparisons among diverse metazoans reveal the processes of chromosome evolution that produced contemporary karyotypes from their Precambrian progenitors. On the basis of these findings, we introduce a simple algebraic representation of chromosomal change and use it to establish a unified systematic framework for metazoan chromosome evolution. We find that fusion-with-mixing, a previously unappreciated mode of chromosome change, has played a central role. We find that relicts of several metazoan chromosomal units are preserved in unicellular eukaryotes. These conserved pre-metazoan linkages include the chromosomal unit that encodes the most diverse set of metazoan homeobox genes, suggesting a candidate genomic context for the early diversification of this key gene family.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Asymmetric photoenzymatic incorporation of fluorinated motifs into olefins

Enzymes capable of assimilating fluorinated feedstocks are scarce. This situation poses a challenge for the biosynthesis of fluorinated compounds used in pharmaceuticals, agrochemicals, and materials. We developed a photoenzymatic hydrofluoroalkylation that integrates fluorinated motifs into olefins. The photoinduced promiscuity of flavin-dependent ene-reductases enables the generation of carbon-centered radicals from iodinated fluoroalkanes, which are directed by the photoenzyme to engage enantioselectively with olefins. This approach facilitates stereocontrol through interaction between a singular fluorinated unit and the enzyme, securing high enantioselectivity at β, γ, or δ positions of fluorinated groups through enzymatic hydrogen atom transfer—a process that is notably challenging with conventional chemocatalysis. Furthermore, this work advances enzymatic strategies for integrating fluorinated chemical feedstocks and opens avenues for asymmetric synthesis of fluorinated compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Summit Darshan Archival Dataset

Summit Darshan Archival Dataset contains 2021 Summit Darshan log data for 25 applications and is grouped into science domains. The dataset is processed, and all the propriety fields are anonymized. The resultant data is converted into a tabular structure and saved in parquet file format. In this notebook, we demonstrate how to access the data. Data Organization: The data is organized into two directories: Darshan total (`darshan_total`): List all the high levels generated by the `darshan-parser --total` command on `.darshan` files. There is one parquet file for each application. Note: `uid` and `exe` field are masked Darshan detail (`darshan_detail`): This data contains detailed job level log information extracted by command `darshan-parser` on the raw `.darshan` files. The data is sorted by directory hierarchy in the order of `year/month/day (2021/12/07)`. For instance, to get the data for a `job_id` 3819766 of application `App11`, which was executed on `2021-12-07`can be accessed as follows. Note:`uid` and `filename` fields are masked

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Sandia National Laboratories, California Environmental Management System Program Manual

Sandia National Laboratories, California (SNL/CA) has maintained environmental functions to assist with regulatory compliance for more than 30 years. During 2005, these existing functions were rolled into a formal environmental management system (EMS) that expands beyond the traditional compliance focus to managing and improving environmental performance and stewardship practices for all site activities. An EMS is a set of inter-related elements that represent a continuing cycle of planning, implementing, evaluating, and improving processes and actions undertaken to achieve environmental policy and goals. The SNL/CA EMS Program conforms to the International Standard for Environmental Management Systems, ISO 14001:2004 (ISO 2004). The site first received ISO 14001 certification in September 2006 and recertification in 2009 and 2012. SNL/CA’s EMS Program is applicable to the Sandia, Livermore site only. Although SNL/CA operates as one organizational division of the overall Sandia National Laboratories, the EMS Program is site-specific, with site-specific objectives and targets. SNL/CA (Division 8000) benefits from the organizational structure as it provides corporate level policies, procedures, and standards, and established processes that connect to and support elements of the SNL/CA EMS Program. Additionally, SNL/CA’s EMS Program benefits from two corporate functional programs (Facilities Energy & Water Resource Management and Fleet Services programs) that maintain responsibility for energy management and fleet services for all Sandia locations. Each EMS element is further enhanced with site-specific processes and standards. Division 8000 has several groups operating at Sandia National Laboratories, New Mexico (SNL/NM). Although these groups, from an organizational perspective, are part of Division 8000, they are managed locally and fall under the environmental requirements specific to their New Mexico location. The New Mexico groups in Division 8000 follow the corporate EMS Program for New Mexico operations.

Larsen, Barbara L.↗
DOE OSTI2014

Developing evidence-based prescriptive ventilation rate standards for commercial buildings in California: a proposed framework

Background - The goal of this project, with a focus on commercial buildings in California, was to develop a new framework for evidence-based minimum ventilation rate (MVR) standards that protect occupants in buildings while also considering energy use and cost. This was motivated by research findings suggesting that current prescriptive MVRs in commercial buildings do not provide occupants with fully safe and satisfactory indoor environments. Methods - The project began with a broad review in several areas ? the diverse strategies now used for standards or guidelines for MVRs or for environmental contaminant exposures, current knowledge about adverse human effects associated with VRs, and current knowledge about contaminants in commercial buildings, including their their presence, their adverse human effects, and their relationships with VRs. Based on a synthesis of the reviewed information, new principles and approaches are proposed for setting evidence-based VRs standards for commercial buildings, considering a range of human effects including health, performance, and acceptability of air. Results ? A review and evaluation is first presented of current approaches to setting prescriptive building ventilation standards and setting acceptable limits for human contaminant exposures in outdoor air and occupational settings. Recent research on approaches to setting acceptable levels of environmental exposures in evidence-based MVR standards is also described. From a synthesis and critique of these materials, a set of principles for setting MVRs is presented, along with an example approach based on these principles. The approach combines two sequential strategies. In a first step, an acceptable threshold is set for each adverse outcome that has a demonstrated relationship to VRs, as an increase from a (low) outcome level at a high reference ventilation rate (RVR, the VR needed to attain the best achievable levels of the adverse outcome); MVRs required to meet each specific outcome threshold are estimated; and the highest of these MVRs, which would then meet all outcome thresholds, is selected as the target MVR. In a second step, implemented only if the target MVR from step 1 is judged impractically high, costs and benefits are estimated and this information is used in a risk management process. Four human outcomes with substantial quantitative evidence of relationships to VRs are identified for initial consideration in setting MVR standards. These are: building-related symptoms (sometimes called sick building syndrome symptoms), poor perceived indoor air quality, and diminished work performance, all with data relating them directly to VRs; and cancer and non-cancer chronic outcomes, related indirectly to VRs through specific VR-influenced indoor contaminants. In an application of step 1 for offices using a set of example outcome thresholds, a target MVR of 9 L/s (19 cfm) per person was needed. Because this target MVR was close to MVRs in current standards, use of a cost/benefit process seemed unnecessary. Selection of more stringent thresholds for one or more human outcomes, however, could raise the target MVR to 14 L/s (30 cfm) per person or higher, triggering the step 2 risk management process. Consideration of outdoor air pollutant effects would add further complexity to the framework. For balancing the objective and subjective factors involved in setting MVRs in a cost-benefit process, it is suggested that a diverse group of stakeholders make the determination after assembling as much quantitative data as possible.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

Electron Temperature Fluctuation Measurements and Transport Model Validation at Alcator C-Mod

The tokamak is a type of toroidal device used to confine a fusion plasma using large magnetic fields. Tokamaks and stellarators the leading devices for confining plasmas for fusion, and the capability to predict performance in these magnetically confined plasmas is essential for developing a sustainable fusion energy source. The magnetic configuration of tokamaks and stellarators does not exist in Nature, yet, the fundamental processes governing transport in fusion plasmas are universal – turbulence and instabilities, driven by inhomogeneity and asymmetry in the plasma, conspire to transport heat and particles across magnetic field lines and can play critical roles in impurity confinement and generation of intrinsic rotation. Turbulence exists in all plasmas, and in neutral fluids as well. The study of turbulence is essential to developing a fundamental understanding of the nature of the fourth state of matter, plasmas. Experimental studies of turbulence in tokamaks date back to early scattering observations from the late 1970s. Since that time, great advances in turbulence diagnostics have been made, all of which have significantly enhanced our knowledge and understanding of turbulence in tokamaks. Through comparisons with advanced gyrokinetic theory and turbulent-transport models a great deal of evidence exists to implicate turbulent-driven transport as an important mechanism determining transport in all channels: heat, particle and momentum However, prediction and control of turbulent-driven transport remains elusive. Key to development of predictive transport models for magnetically confined fusion plasmas is validation of the nonlinear gyrokinetic transport model, which describes transport due to turbulence. Validation of gyrokinetic codes must include detailed and quantitative comparisons with measured turbulence characteristics, in addition to comparisons with inferred transport levels and equilibrium profiles. For this reason, advanced plasma diagnostics for studying core turbulence are needed in order to assess the accuracy of gyrokinetic models for turbulent-driven particle, heat and momentum transport. New core turbulence diagnostics at the world-class tokamaks Alcator C-Mod at MIT and ASDEX Upgrade at the Max Planck Institute for Plasma Physics have been designed, developed, and operated over the course of this project. These new instruments are capable of measuring electron temperature fluctuations and the phase angle between density and temperature fluctuations locally and quantitatively. These new data sets from Alcator C-Mod and ASDEX Upgrade are being used to fill key gaps in our understanding of turbulent transport in tokamaks. In particular, this project has results in new results on the topics of the Transport Shortfall, the role of ETG turbulence in tokamak plasmas, profile stiffness, the LOC/SOC transition, and intrinsic rotation reversals. These data are used in a rigorous process of “Transport model validation”, and this group is a world-leader on using turbulence models to design new hardware and new experiments at tokamaks. A correlation electron cyclotron emission (CECE) diagnostic is an instrument used to measure micro-scale fluctuations (mm-scale, compared to the machine size of meters) of electron temperature in magnetically confined fusion plasmas, such as those in tokamaks and stellarators. These micro-scale fluctuations are associated with drift-wave type turbulence, which leads to enhanced cooling and mixing of particles in fusion plasmas and limits achieving the required temperatures and densities for self-sustained fusion reactions. A CECE system can also be coupled with a reflectometer system that measured micro-scale density fluctuations, and from these simultaneous measurements, one can extract the phase between the density (n) and temperature (T) fluctuations, creating an nT phase diagnostic. Measurements of the fluctuations and the phase angle between them are extremely useful for testing and validating predictive models for the transport of heat and particles in fusion plasmas due to turbulence. Once validated, the models are used to predict performance in ITER and other burning plasmas, such as the MIT ARC design. Most recently, data from the newly developed, so-called “CECE diagnostic” [Cima 1995, White 2008] and “nT phase angle measurements” [Haese 1999, White 2010] ]will be combined with data from density fluctuation diagnostics at ASDEX Upgrade to support a long-term program of physics research in turbulence and transport that will allow for more stringent testing and validation of gyrokinetic turbulent-transport codes. This work directly impacts the development of predictive transport models in the U.S. FES program, such as TGLF, developed by General Atomics, which are used to predict performance in ITER and other burning plasma devices as part of advancing the development of fusion energy sciences.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
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 ↗