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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 1,765 records · Page 98
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Potential impact of releases from a new Molybdenum-99 production facility on regional measurements of airborne xenon isotopes

The monitoring of the radioactive xenon isotopes 131mXe, 133Xe, 133mXe, and 135Xe is important for the detection of nuclear explosions. While backgrounds of the xenon isotopes are short-lived, they are constantly replenished from activities dominated by the fission-based production of 99Mo used for medical procedures. One of the most critical locations on earth for the monitoring of nuclear explosions is the Korean peninsula, where the Democratic Republic of North Korea (DPRK) has announced that it had conducted three nuclear tests between 2009 and 2013. This paper explores the backgrounds that would be caused by the medium to large scale production of 99Mo in the region of the Korean peninsula.

Comprehensive Nuclear-Test-Ban Treaty↗
DOE OSTI2024

GradDFT. A software library for machine learning enhanced density functional theory

Density functional theory (DFT) stands as a cornerstone method in computational quantum chemistry and materials science due to its remarkable versatility and scalability. Yet, it suffers from limitations in accuracy, particularly when dealing with strongly correlated systems. To address these shortcomings, recent work has begun to explore how machine learning can expand the capabilities of DFT: an endeavor with many open questions and technical challenges. In this work, we present GradDFT a fully differentiable JAX-based DFT library, enabling quick prototyping and experimentation with machine learning-enhanced exchange–correlation energy functionals. GradDFT employs a pioneering parametrization of exchange–correlation functionals constructed using a weighted sum of energy densities, where the weights are determined using neural networks. Moreover, GradDFT encompasses a comprehensive suite of auxiliary functions, notably featuring a just-in-time compilable and fully differentiable self-consistent iterative procedure. To support training and benchmarking efforts, we additionally compile a curated dataset of experimental dissociation energies of dimers, half of which contain transition metal atoms characterized by strong electronic correlations. The software library is tested against experimental results to study the generalization capabilities of a neural functional across potential energy surfaces and atomic species, as well as the effect of training data noise on the resulting model accuracy.

Chemistry↗
DOE OSTI2025

Constraining primordial non-Gaussianity with DESI 2024 LRG and QSO samples

We analyse the large-scale clustering of the Luminous Red Galaxy (LRG) and Quasar (QSO) sample from the first data release (DR1) of the Dark Energy Spectroscopic Instrument (DESI). In particular, we constrain the primordial non-Gaussianity (PNG) parameter f NL loc via the large-scale scale-dependent bias in the power spectrum using 1,631,716 LRGs (0.6 < z < 1.1) and 1,189,129 QSOs (0.8 < z < 3.1). This new measurement takes advantage of the enormous statistical power at large scales of DESI DR1 data, surpassing the latest data release (DR16) of the extended Baryon Oscillation Spectroscopic Survey (eBOSS). For the first time in this kind of analysis, we use a blinding procedure to mitigate the risk of confirmation bias in our results. We improve the model of the radial integral constraint proposing an innovative technique allowing the correction through the window matrix convolution. We also carefully test the mitigation of the dependence of the target selection on the photometry qualities by incorporating an angular integral constraint contribution to the window function, and validate our methodology with the blinded data. Finally, combining the two samples, we measure f NL loc = -3.6 -9.1 +9.0 at 68% confidence, where we assume the universality relation for the LRG sample and a recent merger model for the QSO sample about the response of bias to primordial non-Gaussianity. Adopting the universality relation for the PNG bias in the QSO analysis leads to f NL loc = 3.5 -7.4 +10.7 at 68% confidence. Due to restricted selection in the LRG sample, the inclusion of the LRGs allows for 10% improvement. This measurement is the most precise determination of primordial non-Gaussianity using large-scale structure to date, surpassing the latest result from eBOSS by a factor of 2.3.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Simultaneous energy and mass calibration of large-radius jets with the ATLAS detector using a deep neural network

The energy and mass measurements of jets are crucial tasks for the Large Hadron Collider experiments. This paper presents a new calibration method to simultaneously calibrate these quantities for large-radius jets measured with the ATLAS detector using a deep neural network (DNN). To address the specificities of the calibration problem, special loss functions and training procedures are employed, and a complex network architecture, which includes feature annotation and residual connection layers, is used. The DNN-based calibration is compared to the standard numerical approach in an extensive series of tests. The DNN approach is found to perform significantly better in almost all of the tests and over most of the relevant kinematic phase space. In particular, it consistently improves the energy and mass resolutions, with a 30% better energy resolution obtained for transverse momenta $p$ T > $500$ GeV.

47 OTHER INSTRUMENTATION↗
DOE OSTI2013

Novel Zeolitic Imidazolate Framework/Polymer Membranes for Hydrogen Separations in Coal Processing

Nanoparticles of zeolitic imidazolate frameworks and other related hybrid materials were prepared by modifying published synthesis procedures by introducing bases, changing stoichiometric ratios, or adjusting reaction conditions. These materials were stable at temperatures >300 °C and were compatible with the polymer matrices used to prepare mixed-matrix membranes (MMMs). MMMs tested at 300 °C exhibited a >30 fold increase in permeability, compared to those measured at 35 °C, while maintaining H 2 /CO 2 selectivity. Measurements at high pressure (up to 30 atm) and high temperature (up to 300 °C) resulted in an increase in gas flux across the membrane with retention of selectivity. No variations in permeability were observed at high pressures at either 35 or 300 °C. CO 2 -induced plasticization was not observed for Matrimid®, VTEC, and PBI polymers or their MMMs at 30 atm and 300 °C. Membrane surface modification by cross-linking with ethylenediamine resulted in an increase in H 2 /CO 2 selectivity at 35 °C. Spectrometric analysis showed that the cross-linking was effective to temperatures <150 °C. At higher temperatures, the cross-linked membranes exhibit a H2/CO2 selectivity similar to the uncrosslinked polymer.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2013

Multi-Collector Inductively Coupled Plasma Mass Spectrometer – Operational Performance Report

The INL made an assessment of the commercially available inductively coupled plasma mass spectrometers (ICPMS) for actinide analysis; emphasizing low detection limits for plutonium. INL scientists subsequently determined if plutonium was present on a swipe, at a 10 million atom decision level. This report describes the evaluation of ICPMS instruments and the operational testing of a new process for the dissolution, separation and analysis via ICPMS of swipes for plutonium and uranium. The swipe dissolution, plutonium and uranium isolation, separation and purification are wet chemistry methods following established procedures. The ICPMS is a commercially available multi-collector magnetic sector mass spectrometer that utilizes five ion counting detectors operating simultaneously. The instrument includes a sample introduction system allowing for sample volumes of < 1 mL to be reproducibly injected into the instrument with minimal waste of the sample solution, while maximizing the useable signal. The performance of the instrument was measured using SRM 996 ( 244 Pu spike) at concentrations of 12 parts per quadrillion (ppq, fg/mL) and with SRM 4350B Columbia River Sediment samples spiked onto swipes at the 10 million atom level. The measured limit of detection (LOD, defined as 3s) for 239 Pu is 310,000 atoms based upon the instrument blank data. The limit of quantification (LOQ defined as 10 s) for 239 Pu is 105,000 atoms. The measured limit of detection for 239 Pu from the SRM 4350B spiked onto a swipe was 2.7 million atoms with the limit of quantification being 9.0 million atoms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Implementation Plan for Qualification of Sodium-Cooled Fast Reactor Technology Information

This document identifies and discusses implementation elements that can be used to facilitate consistent and systematic evaluation processes relating to quality attributes of technical information (with focus on SFR technology) that will be used to support licensing of advanced reactor designs. Information may include, but is not limited to, design documents for SFRs, research-and-development (R&D) data and associated documents, test plans and associated protocols, operations and test data, international research data, technical reports, and information associated with past U.S. Nuclear Regulatory Commission (NRC) reviews of SFR designs. The approach for determining acceptability of test data, analysis, and/or other technical information is based on guidance provided in INL/EXT-15-35805, “Guidance on Evaluating Historic Technology Information for Use in Advanced Reactor Licensing.” The implementation plan can be adopted into a working procedure at each of the national laboratories performing data qualification, or by applicants seeking future license application for advanced reactor technology.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

Storage Field Development Plan: One Earth Energy

This Storage Field Development plan presents the Storage Complex characterization results, construction, monitoring, and operational plans, and costs associated with the proposed One Earth Sequestration Carbon Capture and Storage (OES-CCS) site in McLean County, Illinois, near Gibson City. The proposed storage complex, known as the Mt. Simon Storage Complex, comprises the Cambrian Mt. Simon Sandstone reservoir and the primary seal, the Cambrian Eau Claire Formation. The lowermost Underground Source of Drinking Water (USDW) identified for the site is the Ordovician St. Peter Sandstone. Geologic characterization of the Mt. Simon Storage Complex at the OES-CCS site was performed by the Illinois Storage Corridor CarbonSAFE Phase III project, which also prepared and submitted three UIC Class VI applications to construct three injection wells; the permit applications were submitted and are in the federal EPA review process. A characterization well, OEE #1, was drilled to collect site-specific data. These data were analyzed and used to develop the UIC Class VI applications. The OEE #1 well will be converted to an in-zone monitoring (IZM) well for the injection phase. The proposed buildout for the OES-CCS site includes (1) three injection wells (OES #1, OES #2, and OES #3), (2) two IZM wells, (3) two above confining zone (ACZ) monitoring wells, one of which will be used to monitor the lowermost USDW, (4) capture and compression facilities, and (5) transportation facilities, i.e., pipelines. A pre-operational testing program was proposed in the Class VI permit application and will be employed at the site pending approval. Additional pre-injection (baseline), syn-injection, and post-injection monitoring and site care procedures will be followed by OES to ensure that injection activities are protective of human health and the environment. Injection is scheduled to begin in 2025, distributed across the three injection wells in accordance with the permit operating conditions. One Earth Sequestration intends to inject up to 90 million tonnes of CO 2 over a period of approximately 20 years. Injection will begin at approximately 0.5 million tonnes of CO 2 annually and ramp up to a maximum of 4.5 million tonnes annually. Daily injection rates are expected to range from 1,400 to 1,500 tonnes per day initially and reach a maximum of approximately 4,225 tonnes per day, depending on site geology and injectivity at each injection well location, and CO 2 availability. The costs associated with the OES-CCS project include pre-operational costs (e. g. additional seismic data acquisition and well drilling), capture and transportation facility and equipment costs, predicted field operating expenditures (OpEx), and decommissioning and post-injection site care (PISC) costs. The risks associated with project activities, such as site construction, injection operations, and verification of secure storage were evaluated, and mitigation strategies proposed to alleviate those risks.

09 BIOMASS FUELS↗
DOE OSTI2017

Measurements of Physical Parameters of White Dwarfs: A Test of the Mass–Radius Relation

We present a detailed spectroscopic and photometric analysis of 219 DA and DB white dwarfs for which trigonometric parallax measurements are available. Our aim is to compare the physical parameters derived from the spectroscopic and photometric techniques, and then to test the theoretical mass–radius relation for white dwarfs using these results. The agreement between spectroscopic and photometric parameters is found to be excellent, especially for effective temperatures, showing that our model atmospheres and fitting procedures provide an accurate, internally consistent analysis. The values of surface gravity and solid angle obtained, respectively, from spectroscopy and photometry, are combined with parallax measurements in various ways to study the validity of the mass–radius relation from an empirical point of view. After a thorough examination of our results, we find that 73% and 92% of the white dwarfs are consistent within 1 σ and 2 σ confidence levels, respectively, with the predictions of the mass–radius relation, thus providing strong support to the theory of stellar degeneracy. Our analysis also allows us to identify 15 stars that are better interpreted in terms of unresolved double degenerate binaries. Atmospheric parameters for both components in these binary systems are obtained using a novel approach. We further identify a few white dwarfs that are possibly composed of an iron core rather than a carbon/oxygen core, since they are consistent with Fe-core evolutionary models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

A 3D-Printed Millimeter-Wave Inline Waveguide-to-Coplanar-Waveguide Transition to Enable Dense Spectrometer Arrays for Intensity Mapping Surveys

We present a 3D-printed millimeter-wave, octave-bandwidth, in-line waveguide-to-coplanar-waveguide transition designed to enable focal planes with dense arrays of on-chip spectrometers. These arrays will enable compelling surveys of the large-scale structure of the universe through millimeter-wave intensity mapping. The transition consists of a four-step ridge-waveguide transformer that couples light from a rectangular waveguide onto a coplanar waveguide via an electrical connection made with indium bump bonds. We develop a tolerance-aware optimization approach to identify high-performance transition geometries that are robust to manufacturing variations; the same formulation can be applied to other tolerance-sensitive design problems. We also describe the implementation of a custom apparatus and procedure for bump-bonding a silicon chip to a metallized 3D-printed component. We detail the fabrication of the coplanar waveguide chip and three-dimensional waveguide structure, simulations and metrology of a test device, and room temperature reflectance measurements of this device. The room temperature metrology and reflection measurements are consistent with a model that predicts a coupling efficiency of $\mathord{\sim} 95\%$ at cryogenic temperatures in the 85-170 GHz frequency range.

Stover, Austin [Chicago U.; Chicago U., KICP] (ORC↗
DOE OSTI2017

Sulfur Solubility Testing and Characterization of LAW Phase 1 Matrix Glasses

In this report, the Savannah River National Laboratory (SRNL) provides chemical analysis results for a series of simulated low-activity waste (LAW) glass compositions. These data will be used in the development of improved sulfur solubility models for LAW glass. A procedure developed at Pacific Northwest National Laboratory (PNNL) for producing sulfur saturated melts (SSMs) was carried out at both SRNL and PNNL to fabricate the glasses characterized in this report. This method includes triplicate melting steps with excess sodium sulfate, followed by grinding and washing to remove unincorporated sulfur salts. The wash solutions were also analyzed as part of this study.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Aging Infrastructure: Application of System Health Monitoring at the Defense Waste Processing Facility - 16069

The disposition of high level waste (HLW) into borosilicate glass canistered waste forms began at SRS in 1996. Since that time, the Defense Waste Processing Facility (DWPF) has produced nearly four thousand HLW canisters. The DWPF is now approaching 20 years of radioactive service and 25 years of operation since the commencement of nonradioactive testing in 1990. Many facility systems are challenged by equipment or component obsolescence, which places a premium on proper work planning, engineering, and maintenance resource allocation to ensure facility reliability. To this end, Savannah River Remediation (SRR) implements programs and procedures for performance monitoring of structures, systems, and components (SSCs) within all of its processing facilities. As these programs have matured, they have helped to identify vulnerabilities within facility systems and provided a framework for ranking system assets to ensure correct priority is established and maintained. This paper provides an overview of how SRR structures and implements system performance monitoring with specific focus on the recent replacement of the DWPF Safety Grade Purge Flowmeters. This case study will discuss: 1) How the performance monitoring process identified an availability risk due to the minimal vendor support for the in-use flow transmitters, 2) The design changes developed as part of the project to transition to a different measurement technology, which includes operational lessons learned from the original installation, 3) The execution of the replacement effort, which was complicated by the fact that the purge system is a Vital Safety System (VSS) and not easily taken out of service for extended maintenance, and 4) The need to consider future maintainability, particularly given that continued acceleration in technical innovation will likely increase the frequency of equipment obsolescence. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Recycled polyethylene and crumb rubber composites modified asphalt with improved aging resistance and thermal stability

Crumb rubbers (CR) and recycled Polyethylene (PE) are commonly used as modifiers to improve the asphalt properties. However, the addition of these modifiers individually may result in phase separation of PE and inadequate degradation of CR, which may not simultaneously satisfy the rheological and aging resistance of the binder blends. In this study, a type of CR/PE composites manufactured through melt extrusion procedures was adopted for the improvement of the modified binder blends. The modified binder blends after short-term (RTFO) and long-term (PAV) aging were collected for dynamic shear rheometer and bending beam rheometer tests. FTIR tests were also used to quantify the aging resistance, while differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) were applied to evaluate the thermal behaviors of the binder blends. Optical microscopy tests were used to explore the modification mechanism and visualize the microstructures of original and PAV aged binder blends. Test results showed that CR/PE composites could significantly improve the aging resistance of the binder blends. The dispersed PE particles still interacted with each other and meanwhile worked with the diffused rubbery phase, which could form a similar TPEs network. The oxidation and high-temperature aging of such binder blends would strengthen the network that resisted the aging severity of the binder blends. Furthermore, it was also revealed that CR/PE modified asphalt could sustain more heat before a rapid degradation and the well-dispersed PE particles could interact with the diffused CR particles to form a network to resist aging.

02 PETROLEUM↗
DOE OSTI2017

Assessment of bifacial photovoltaic module power rating methodologies–inside and out

One-sun power ratings for bifacial modules are currently undefined. This is partly because there is no standard definition of rear irradiance given 1000 W·m -2 on the front. Using field measurements and simulations, we evaluate multiple deployment scenarios for bifacial modules and provide details on the amount of irradiance that could be expected. A simplified case that represents a single module deployed under conditions consistent with existing one-sun irradiance standards lead to a bifacial reference condition of 1000 W·m -2 G front and 130-140 W·m -2 G rear . For fielded systems of bifacial modules, Grear magnitude and spatial uniformity will be affected by self-shade from adjacent modules, varied ground cover, and ground-clearance height. A standard measurement procedure for bifacial modules is also currently undefined. A proposed international standard is under development, which provides the motivation for this paper. Here, we compare field measurements of bifacial modules under natural illumination with proposed indoor test methods, where irradiance is only applied to one side at a time. The indoor method has multiple advantages, including controlled and repeatable irradiance and thermal environment, along with allowing the use of conventional single-sided flash test equipment. The comparison results are promising, showing that indoor and outdoor methods agree within 1%-2% for multiple rear-irradiance conditions and bifacial module construction. Furthermore, a comparison with single-diode theory also shows good agreement to indoor measurements, within 1%-2% for power and other current-voltage curve parameters.

14 SOLAR ENERGY↗
DOE OSTI2014

MO-F-16A-05: Spot-Scanning Proton Therapy Patient-Specific Quality Assurance: Our Methodology and Results From 295 Treatment Plans

Purpose: To report on the patient-specific quality assurance (PSQA) results for 295 spot-scanning proton therapy treatment plans from the MD Anderson PTC-Houston. We show how the results differed by treatment site and how they were affected by the treatment plan optimization method and by a range shifter in the treatment field. We also discuss some causes of PSQA problems. Methods: The PSQA procedure, which is designed to verify both the accuracy of the treatment planning system's (Eclipse™ v8.9) dose calculations and the dose delivery of the Hitachi PROBEAT synchrotron, consists of (1) an end-to-end test in which the beam is delivered and measured at the prescribed gantry angle, and (2) additional dose plane measurements made from gantry angle 270°. HPlusQA™ software automatically performs the gamma analysis with criteria 3% (dose tolerance), 3 mm (distance-to-agreement, DTA) and 2%, 2 mm. Passing is defined as at least 90% of the pixels having a gamma score less than 1. Results: The PSQA gamma passing rate was 96.2% for 3%, 3 mm, and 85.3% for 2%, 2 mm. The rate depended on the treatment site. For example, the 3%, 3 mm passing rate was 95% for head and neck plans, vs 100% for prostate plans. The passing rates of multi- vs. single-field optimization plans did not significantly differ. However, the rate for fields with range shifters was 94.8±0.6%, vs 99.0±0.6% for those without (p = 0.002). Longitudinal dose gradients caused most of the low scores. Overestimation of the calculated dose proximal to the spread-out Bragg peak (SOBP) caused many of the others. Conclusion: The planned and delivered doses consistently agreed within tolerance levels. Minor dose modeling deficiencies remain proximal to the SOBP. The 3% dose tolerance, 3 mm DTA, with 90% pixel passing rate is a reasonable action level for 2D gamma comparisons.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Measuring organic matter in Everglades wetlands and the Everglades Agricultural Area

Here, organic matter is a complex material that represents the long-term decay products from plants and other organisms in the soil. When organic matter is allowed to build up in a soil, the soil color at the surface usually turns a darker color, often with a red or brown hue. Typically in Florida mineral soils, organic matter content is quite low, within the range of 1 to 5%. However, in some soils that remain flooded for most of the year, organic matter can build up with time and actually become the soil. Such is the case for the organic soils, or histosols, found in southern Florida. These organic soils comprise much of the Water Conservation Areas, Everglades National Park (ENP), Big Cypress Basin, and the Everglades Agricultural Area (EAA). It is important to document organic matter accumulation in the Everglades to gauge the effectiveness of wetland creation and succession. For the EAA, the drained soils lose organic matter due to oxidation, so measurement of the organic matter content of these soils over the course of time indicates the oxidation potential and mineral incorporation from bedrock. Due to the wide diversity of soil types and methods of measuring soil organic matter, there is a need to devise a more universal method applicable to many types of histosols in south Florida. The intent of this publication is: 1.To describe a simple laboratory method for determining the organic matter content of the organic soils of southern Florida and demonstrate the importance of using this new procedure for improved accuracy and precision; 2.To utilize this updated laboratory procedure for field sites across Everglades wetlands and the EAA; and 3. To recommend this procedure be used by growers, state and federal agencies, and university and agency researchers dealing with the management of organic soils in southern Florida. Growers can use this improvement to organic matter measurement to keep lab testing costs low while getting a better, more quantitative estimate of organic carbon (organic matter) for decisions regarding pesticide applications and estimated contribution of nutrients released from the organic matter in their fields. Restoration efforts in the Everglades wetlands can be better documented with the lower cost, but now equally as useful, LOI test for organic carbon. Improvements to soil organic matter coupled with other measurements of biological health of the system can be documented with less work using the adjusted LOI calculations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Development of a Distribution Optimal Power Flow Federate for Open-Source OEDI-SI Platform

Increasing numbers of distributed generators in the electric power distribution networks require developing a control strategy to optimize solutions in real time. Linearized optimal distribution flow development has seen growth and acceptance in the distribution systems literature for efficiently modeling the \glspl{opf} for distribution systems. This paper examines the implementation and integration procedure for linearized optimal distribution flow federate to \gls{oedisi} platform. Specifically, we discuss i) the usage of the \gls{oedisi} platform, ii) obtaining a tractable solution using developed \gls{opf} federate, and iii) validation of solutions and bench-marking the \gls{oedisi} platform with developed \gls{opf} federate using OpenDSS. In brief, we demonstrate how a general linearized optimal distribution flow federate can be developed and integrated with a co-simulation environment to mimic real-world examples. The efficacy of the proposed method is demonstrated using the IEEE 123-bus test system under different scenarios to obtain a tractable solution and compare its results.

Sadnan, Rabayet↗