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DOE OSTI2020

Defining a Metric to Assess Leachability of Contaminants from Cementitious Waste Forms in Lab Testing Related to Hanford - 20478

This paper reports on the determination of performance metrics for the release of four contaminants (technetium, iodine, nitrate, and chromium) from a theoretical supplemental low-activity waste (LAW) inventory of grout in the Hanford Integrated Disposal Facility (IDF). The performance metric was defined as a retardation factor, R, that can be used to quantify a waste form's ability to retain one contaminant compared with an un-retarded species (e.g., sodium). By setting the target R value at the magnitude required to maintain concentrations of the contaminants below the drinking water standard at the point of compliance for the IDF, a bar for grout leach performance can be established for screening laboratory leach test data. The R can be converted to a corresponding laboratory-observed diffusivity value against which to assess leach test data. The individual performance metrics were determined through an iterative set of simulations using a variable saturation and transport flow model of a grout waste form inventory in the IDF to calculate the resulting concentration-based requirements at the point of compliance. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

Performance and Commissioning of the BigBite Timing Hodoscope for Nucleon Form Factor Measurements at Jefferson Lab

The BigBite Timing Hodoscope detector is the primary subject of this thesis. The Super BigBite Spectrometer is a Jefferson Lab Hall A Collaboration project that has and will continue to measure nucleon electromagnetic form factors. This spectrometer includes the Timing Hodoscope which provides high resolution particle timing data for scattered electrons in the electron arm of BigBite. The Timing Hodoscope utilizes 90, 25 × 25 × 600 mm3 scintillator bars stacked on top of each other to form a single detector plane, and these bars are connected to 180 photo-multiplier tubes via light guides. Particles collide with the scintillating material creating a shower of optical photons and these particle events in the bars are collected to generate signals that are readout by the data acquisition (DAQ) electronics. NINO ASIC amplifier-discriminator cards output signals from the photo-multiplier tubes into analogue and logic signals, which are sent to analogue-to-digital (ADC) and time-to-digital (TDC) converter data acquisition readout modules. This data is then used for analysis of the detector. The focus of this thesis is the construction, commissioning, calibration, and performance of the BigBite Timing Hodoscope before and during the first of five nucleon electromagnetic form factor experiments at Jefferson Lab Hall A. Before the neutron magnetic form factor, G n M, experiment, cosmic ray data was collected during commissioning to confirm proper operation of the Timing Hodoscope electronics by observing the ADC and TDC data. Commissioning studies for charge normalization, gain matching, and other ADC and TDC detector data variables were performed before moving the detector into Hall A. Following installation in Hall A, several calibration studies were implemented to fine-tune the detector in preparation for use in the experiment. The calibration studies included analysis of timing cuts, TDC alignment, the time-walk effect, time difference offsets, and scintillator velocity corrections. Once the Timing Hodoscope was well-calibrated, data-taking during the experiment commenced and the beam-on-target data was used to characterize the Timing Hodoscope performance during the G n M experiment run-time. The performance analysis included studies observing energy deposit, cluster size, rates, accidentals, pile-up, tracking efficiency, position resolution, and time resolution. After application of physics cuts to ensure a data set comprised of particle tracks corresponding to elastic electrons, which is the main data of interest for measurement of G n M, the Timing Hodoscope is shown on average across all kinematic settings to have a >98% tracking efficiency, a position resolution of 4-6 cm in the non-dispersive plane and 1.5-2 cm in the dispersive plane, and a time resolution of 500-750 ps. These performance results are compared to a GEANT4 based performance simulation of the BigBite Timing Hodoscope for reference, showing to what degree the measured performance values match those taken from the simulation.

Marinaro, Ralph↗

DOE OSTI2017

Polynomial chaos representation of databases on manifolds

Characterizing the polynomial chaos expansion (PCE) of a vector-valued random variable with probability distribution concentrated on a manifold is a relevant problem in data-driven settings. The probability distribution of such random vectors is multimodal in general, leading to potentially very slow convergence of the PCE. In this paper, we build on a recent development for estimating and sampling from probabilities concentrated on a diffusion manifold. The proposed methodology constructs a PCE of the random vector together with an associated generator that samples from the target probability distribution which is estimated from data concentrated in the neighborhood of the manifold. The method is robust and remains efficient for high dimension and large datasets. The resulting polynomial chaos construction on manifolds permits the adaptation of many uncertainty quantification and statistical tools to emerging questions motivated by data-driven queries.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Mining for Metal–Organic Systems: Chemistry Frontiers of Th-, U-, and Zr-Materials

The conceptual framework presented in this Perspective overviews the design principles of innovative thorium-based materials that could address urgent needs of the medicinal, nuclear energy, and waste remediation sectors from the lens of zirconium and uranium analogs. We survey the intersections of Zr, Th, and U chemistry with a focus on how the intrinsic behavior of each metal translates to broader material properties, including, but not limited to, structural and topological diversity, preferential metal–ligand binding, and reactivity. On the example of several classes of materials, including organometallic complexes, polyoxometalates, and the primary focus of this Perspective, metal–organic frameworks (MOFs), the design principles that govern the preparation of Zr-, Th-, and U-compounds, including oxophilicity, variation in oxidation states, and stable coordination environments have been considered. Further, we highlight how the impact of the mentioned variables may shift throughout the progression from discrete molecular systems to extended structures. We discuss the common assumption that zirconium-organic materials are typically considered a close analog of thorium-based congeners in areas such as material design and preparation. Through consideration of fundamental chemistry principles, we shed light on the relationships between Zr-, Th-, and U-based materials and highlight how a critical analysis of their distinct properties can be used to target a desired material performance. Finally, we provide a detailed understanding of Th-based materials chemistry by anchoring their fundamental properties between two well-studied reference points, zirconium- and uranium-containing analogs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

The selection of construction sub-contractors using the fuzzy sets theory

The paper presents the algorithm for the selection of sub-contractors. Main area of author’s interest is scheduling flow models. The ranking task aims at execution time as short as possible Brigades downtime should also be as small as possible. These targets are exposed to significant obsolescence. The criteria for selection of subcontractors will not be therefore time and cost, it is assumed that all those criteria be meet by sub-contractors. The decision should be made in regard to factors difficult to measure, to assess which is the perfect application of fuzzy sets theory. The paper will present a set of evaluation criteria, the part of the knowledge base and a description of the output variable.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Sifting for Sapphires: Systematic Selection of Tidal Disruption Events in iPTF

We present results from a systematic selection of tidal disruption events (TDEs) in a wide-area (4800~deg 2 ), g+R band, Intermediate Palomar Transient Factory (iPTF) experiment. Our selection targets typical optically-selected TDEs: bright (>60\% flux increase) and blue transients residing in the center of red galaxies. Using photometric selection criteria to down-select from a total of 493 nuclear transients to a sample of 26 sources, we then use follow-up UV imaging with the Neil Gehrels Swift Telescope, ground-based optical spectroscopy, and light curve fitting to classify them as 14 Type Ia supernovae (SNe Ia), 9 highly variable active galactic nuclei (AGNs), 2 confirmed TDEs, and 1 potential core-collapse supernova. We find it possible to filter AGNs by employing a more stringent transient color cut (g-r< -0.2 mag); further, UV imaging is the best discriminator for filtering SNe, since SNe Ia can appear as blue, optically, as TDEs in their early phases. However, when UV-optical color is unavailable, higher precision astrometry can also effectively reduce SNe contamination in the optical. Our most stringent optical photometric selection criteria yields a 4.5:1 contamination rate, allowing for a manageable number of TDE candidates for complete spectroscopic follow-up and real-time classification in the ZTF era. We measure a TDE per galaxy rate of $1.7^{+2.9}_{-1.3}$ ×10 -4 gal -1 yr -1 (90% CL in Poisson statistics). This does not account for TDEs outside our selection criteria, thus may not reflect the total TDE population, which is yet to be fully mapped.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

MEASUREMENT OF THE EMC EFFECT OF THE TRITIUM NUCLEUS AT JEFFERSON LAB

Experiment E12-10-103 (MARATHON) was conducted in the Hall A Facility of JLab in the winter/spring of 2018 during the initial phase of the 12 GeV energy upgrade of the Lab. One goal of the experiment was the first measurement of the EMC effect of 3H. Four sealed gas targets were used during the experiment, 1H, 2H, 3H, and 3He. All measurements were in the deep inelastic scattering kinematical regime with large Q2 and W2, which are the four-momentum transfer squared and invariant mass squared of the final hadronic state in the inelastic scattering interaction, respectively. The range of Q2 and W2 were 3 < Q2 <12 (GeV/c)2 and 3.2 < W2 < 12.3 GeV/c2, respectively. The measurements spanned a wide range of the Bjorken variable x, between 0.19 and 0.83, where x = Q2/2M(E-E') is the momentum fraction carried by the struck quark in the interaction, with M being the nucleon mass. Knowledge of the EMC effect of light nuclei, such as 3H, will provide an opportunity to better understand the origin of the EMC effect.

Nycz, Michael R.↗

DOE OSTI2021

The J/ψ-007 Experiment: A Search for the LHCB Charm Pentaquarks in Hall C at Jefferson Lab

In the Jefferson Lab E12-16-007 (J/ψ- 007) experiment we measured the differential J/ψ photo-production cross section as a function of photon energy, Ey and Mandelstam variable t- the momentum transfer from the initial photon to the produced J/ψ- in the energy region where all the charm pentaquark states were discovered by the LHCb (Large Hadron Collider beauty) collaboration. The J/ψ-007 experiment was conducted in the experimental Hall C of the Thomas Jefferson National Accelerator Facility using a high-intensity real photon beam generated by a 10.6 GeV incident electron beam traversing a copper radiator upstream of a liquid hydrogen target. Two arm spectrometers of Hall C, HMS (High Momentum Spectrometer), and SHMS (Super High Momentum Spectrometer) were used to detect the e + e - dilepton J/ψ decay pairs in coincidence. The spectrometers' four momentum and angle settings scanned a photon beam energy range between 9.1 and 10.6 GeV and |t| up to 5 GeV 2 . An enhanced sensitivity to the s-channel resonant J/ψ photo-production was achieved by optimizing the spectrometer settings at a higher t region where the non-resonant standard t-channel J/ψ production cross section is strongly suppressed. No evidence for pentaquarks was observed and, the cross section upper limits for each LHCb pentaquark candidate were determined and are presented in this document.

Duran, Burcu↗

DOE OSTI2018

Temporal variability largely explains top-down/bottom-up difference in methane emission estimates from a natural gas production region

Here, this study spatially and temporally aligns top-down and bottom-up methane emission estimates for a natural gas production basin, using multiscale emission measurements and detailed activity data reporting. We show that episodic venting from manual liquid unloadings, which occur at a small fraction of natural gas well pads, drives a factor-of-two temporal variation in the basin-scale emission rate of a US dry shale gas play. The midafternoon peak emission rate aligns with the sampling time of all regional aircraft emission studies, which target well-mixed boundary layer conditions present in the afternoon. A mechanistic understanding of emission estimates derived from various methods is critical for unbiased emission verification and effective greenhouse gas emission mitigation. Our results demonstrate that direct comparison of emission estimates from methods covering widely different timescales can be misleading.

03 NATURAL GAS↗

DOE OSTI2012

Comparison Between Infrared Optical and Stereoscopic X-Ray Technologies for Patient Setup in Image Guided Stereotactic Radiotherapy

Purpose: To compare infrared (IR) optical vs. stereoscopic X-ray technologies for patient setup in image-guided stereotactic radiotherapy. Methods and Materials: Retrospective data analysis of 233 fractions in 127 patients treated with hypofractionated stereotactic radiotherapy was performed. Patient setup at the linear accelerator was carried out by means of combined IR optical localization and stereoscopic X-ray image fusion in 6 degrees of freedom (6D). Data were analyzed to evaluate the geometric and dosimetric discrepancy between the two patient setup strategies. Results: Differences between IR optical localization and 6D X-ray image fusion parameters were on average within the expected localization accuracy, as limited by CT image resolution (3 mm). A disagreement between the two systems below 1 mm in all directions was measured in patients treated for cranial tumors. In extracranial sites, larger discrepancies and higher variability were observed as a function of the initial patient alignment. The compensation of IR-detected rotational errors resulted in a significantly improved agreement with 6D X-ray image fusion. On the basis of the bony anatomy registrations, the measured differences were found not to be sensitive to patient breathing. The related dosimetric analysis showed that IR-based patient setup caused limited variations in three cases, with 7% maximum dose reduction in the clinical target volume and no dose increase in organs at risk. Conclusions: In conclusion, patient setup driven by IR external surrogates localization in 6D featured comparable accuracy with respect to procedures based on stereoscopic X-ray imaging.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2016

DNA sequence determinants controlling affinity, stability and shape of DNA complexes bound by the nucleoid protein Fis

The abundant Fis nucleoid protein selectively binds poorly related DNA sequences with high affinities to regulate diverse DNA reactions. Fis binds DNA primarily through DNA backbone contacts and selects target sites by reading conformational properties of DNA sequences, most prominently intrinsic minor groove widths. High-affinity binding requires Fis-stabilized DNA conformational changes that vary depending on DNA sequence. In order to better understand the molecular basis for high affinity site recognition, we analyzed the effects of DNA sequence within and flanking the core Fis binding site on binding affinity and DNA structure. X-ray crystal structures of Fis-DNA complexes containing variable sequences in the noncontacted center of the binding site or variations within the major groove interfaces show that the DNA can adapt to the Fis dimer surface asymmetrically. We show that the presence and position of pyrimidine-purine base steps within the major groove interfaces affect both local DNA bending and minor groove compression to modulate affinities and lifetimes of Fis-DNA complexes. Sequences flanking the core binding site also modulate complex affinities, lifetimes, and the degree of local and global Fis-induced DNA bending. In particular, a G immediately upstream of the 15 bp core sequence inhibits binding and bending, and A-tracts within the flanking base pairs increase both complex lifetimes and global DNA curvatures. Taken together, our observations support a revised DNA motif specifying high-affinity Fis binding and highlight the range of conformations that Fis-bound DNA can adopt. Lastly, the affinities and DNA conformations of individual Fis-DNA complexes are likely to be tailored to their context-specific biological functions.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2012

Early Time-Series Classification with Reliability Guarantee

We consider the early classification of (incomplete) time-series data given a complete time series training set. The early classification problem arises naturally when test sample data is collected over time, or when costs must be incurred to collect the data. For example, for missile defense, it is important to determine the target type long before it reaches its target. A practical goal is to assign a class label as soon as enough data is available to make a good decision. This objective is formalized through the notion of reliability—the probability that a label assigned to the early, incomplete data matches that assigned to the complete data, and we propose a method to classify incomplete data only if a user-specified reliability threshold is met. Our approach models the complete data as a random variable whose distribution is dependent on the current incomplete data and the training data. The method differs from standard strategies in that our focus is on determining the reliability of the early classification decision, not only the accuracy. Proposed methods are tested on a set of open-domain time-series datasets; where the goal is to classify the time-series as early as possible while still guaranteeing that the reliability threshold is met.

Anderson, Hyrum S.↗

DOE OSTI2018

Achieving Tier 4 Emissions in Biomass Cookstoves

Previous literature on top-lit updraft (TLUD) gasifier cookstoves suggested that these stoves have the potential to be the lowest emitting biomass cookstove. However, the previous literature also demonstrated a high degree of variability in TLUD emissions and performance, and a lack of general understanding of the TLUD combustion process. The objective of this study was to improve understanding of the combustion process in TLUD cookstoves. In a TLUD, biomass is gasified and the resulting producer gas is burned in a secondary flame located just above the fuel bed. The goal of this project is to enable the design of a more robust TLUD that consistently meets Tier 4 performance targets through a better understanding of the underlying combustion physics. The project featured a combined modeling, experimental and product design/development effort comprised of four different activities: Development of a model of the gasification process in the biomass fuel bed; Development of a CFD model of the secondary combustion zone; Experiments with a modular TLUD test bed to provide information on how stove design, fuel properties, and operating mode influence performance and provide data needed to validate the fuel bed model; Planar laser-induced fluorescence (PLIF) experiments with a two-dimensional optical test bed to provide insight into the flame dynamics in the secondary combustion zone and data to validate the CFD model; Design, development and field testing of a market ready TLUD prototype. Over 180 tests of 40 different configurations of the modular TLUD test bed were performed to demonstrate how stove design, fuel properties and operating mode influences performance, and the conditions under which Tier 4 emissions are obtainable. Images of OH and acetone PLIF were collected at 10 kHz with the optical test bed. The modeling and experimental results informed the design of a TLUD prototype that met Tier 3 to Tier 4 specifications in emissions and Tier 2 in efficiency. The final prototype was field tested in India.

09 BIOMASS FUELS↗

DOE OSTI2023

Balancing renewable energy and river resources by moving from individual assessments of hydropower projects to energy system planning

As governments and non-state actors strive to minimize global warming, a primary strategy is the decarbonization of power systems which will require a massive increase in renewable electricity generation. Leading energy agencies forecast a doubling of global hydropower capacity as part of that necessary expansion of renewables. While hydropower provides generally low-carbon generation and can integrate variable renewables, such as wind and solar, into electrical grids, hydropower dams are one of the primary reasons that only one-third of the world’s major rivers remain free-flowing. This loss of free-flowing rivers has contributed to dramatic declines of migratory fish and sediment delivery to agriculturally productive deltas. Further, the reservoirs behind dams have displaced tens of millions of people. Thus, hydropower challenges the world’s efforts to meet climate targets while simultaneously achieving other Sustainable Development Goals. In this paper, we explore strategies to achieve the needed renewable energy expansion while sustaining the diverse social and environmental benefits of rivers. These strategies can be implemented at scales ranging from the individual project (environmental flows, fish passage and other site-level mitigation) to hydropower cascades to river basins and regional electrical power systems. While we review evidence that project-level management and mitigation can reduce environmental and social costs, we posit that the most effective scale for finding balanced solutions occurs at the scale of power systems. We further hypothesize that the pursuit of solutions at the system scale can also provide benefits for investors, developers and governments; evidence of benefits to these actors will be necessary for achieving broad uptake of the approaches described in this paper. We test this hypothesis through cases from Chile and Uganda that demonstrate the potential for system-scale power planning to allow countries to meet low-carbon energy targets with power systems that avoid damming high priority rivers (e.g., those that would cause conflicts with other social and environmental benefits) for a similar system cost as status quo approaches. We also show that, through reduction of risk and potential conflict, strategic planning of hydropower site selection can improve financial performance for investors and developers, with a case study from Colombia.

Opperman, Jeffrey J.↗

DOE OSTI2026

Plant Bioengineering Atlas: A Knowledge Graph of Genes, DNA Constructs, and Plant Traits.

Plant bioengineering has generated tens of thousands of genotype-to-phenotype relationships, but this knowledge remains fragmented across narrative literature and difficult to use computationally. Inconsistent descriptions of DNA constructs, host species, and traits, including variable species names, omitted regulatory elements, and inconsistent gene symbols, impede data reuse, comparative analysis, and design-build-test-learn cycles. Here, we present the Plant Bioengineering Atlas, a literature-mined, ontology-grounded knowledge base assembled using an artificial intelligence (AI)-aided extraction pipeline. A large language model parsed open-access primary research articles to generate structured, provenance-anchored records of engineered genes, modification types, promoter-gene-terminator constructs, host species, target traits, and reported phenotypes, with every record traceable to its source. The current release contains 14,358 curated records encompassing 6,998 distinct genes across 436 plant species from 6,452 papers published between 2000 and 2026. Corpus analysis reveals that experiments are concentrated in a small group of model and crop species, disease and pathogen resistance is the most frequently engineered trait class, and constitutive regulatory parts (particularly the CaMV 35S promoter and NOS terminator) remain pervasive. Two in five records omit one or both flanking regulatory elements (i.e., promoter and terminator), while only 23.4% describe cassettes in which both elements resolve to named part classes, exposing a systematic reproducibility gap. We organize these data into a knowledge graph linking genes, constructs, species, and traits; provide access through an interactive web portal; and propose an AI-compatible documentation standard for AI-ready reporting. The Plant Bioengineering Atlas provides a foundation for data-driven hypothesis generation and AI-aided plant biodesign.

, Genes, DNA Constructs↗

NASA NTRS1976

Two systems analyses of SETI

The problem of receiving and identifying a single microwave signal transmitted by extraterrestrial intelligent beings is analyzed in the cases where the signal is designed to catch our attention and the signal is designed for internal purposes of another civilization. Six variables which yield uncertainty as to the exact signal which should be searched for are described: polarization, modulation, flux level, direction, frequency (including bandwidth and drift rate), and time. It is shown that if all reasonable variations of these parameters are to be examined sequentially for 1000 seconds, the search would take over a million times longer than the age of the Universe. Ways to simplify the search are considered, including widening the frequency bin, selecting specific targets, cutting the observation time, using a Fourier transform device for data processing, and building larger antennas as well as better low-noise receivers.

Machol, R. E.↗

NASA NTRS1999

Development of Prototype Micro-Lidar using Narrow Linewidth Semiconductor Lasers for Mars Boundary Layer Wind and Dust Opacity Profiles

We have developed a compact Doppler lidar concept which utilizes recent developments in semiconductor diode laser technology in order to be considered suitable for wind and dust opacity profiling in the Mars lower atmosphere from a surface location. The current understanding of the Mars global climate and meteorology is very limited, with only sparse, near-surface data available from the Viking and Mars Pathfinder landers, supplemented by long-range remote sensing of the Martian atmosphere. The in situ measurements from a lander-based Doppler lidar would provide a unique dataset particularly for the boundary layer. The coupling of the radiative properties of the lower atmosphere with the dynamics involves the radiative absorption and scattering effects of the wind-driven dust. Variability in solar irradiance, on diurnal and seasonal time scales, drives vertical mixing and PBL (planetary boundary layer) thickness. The lidar data will also contribute to an understanding of the impact of wind-driven dust on lander and rover operations and lifetime through an improvement in our understanding of Mars climatology. In this paper we discuss the Mars lidar concept, and the development of a laboratory prototype for performance studies, using, local boundary layer and topographic target measurements.

Menzies, Robert T.↗

NASA NTRS1996

Ground Reaction Forces During Locomotion in Simulated Microgravity

Significant losses in bone density and mineral, primarily in the lower extremities have been reported following exposure to weightlessness. Recent investigations suggest that mechanical influences such as bone deformation and strain rate may be critically important in stimulating new bone formation. It was hypothesized that velocity, cadence and harness design would significantly affect lower limb impact forces during treadmill exercise in simulated zero gravity (0G). A ground-based hypogravity simulator was used to investigate which factors affect limb loading during tethered treadmill exercise. A fractional factorial design was used and 12 subjects were studied. The results showed that running on active and passive treadmills in the simulator with a tethering force close to the maximum comfortable level produced similar magnitudes for the peak ground reaction force. It was also found that these maximum forces were significantly lower than those obtained during overground trials, even when the speeds of locomotion in the simulator were 66 % greater than those in 1 G. Cadence had no effect on any of the response variables. The maximum rate of force application (DFDT-Max) was similar for overground running and exercise in simulated 0G, provided that the "weightless subjects ran on a motorized treadmill. These findings have implications for the use of treadmill exercise as a countermeasure for hypokinetic osteoporosis. As the relationship between mechanical factors and osteogenesis becomes better understood, results from human experiments in 0G simulators will help to design in-flight exercise programs that are more closely targeted to generate appropriate mechanical stimuli.

Davis, B. L.↗