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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Track Seeding and Labelling with Embedded-space Graph Neural Networks

To address the unprecedented scale of HL-LHC data, the Exa.TrkX project is investigating a variety of machine learning approaches to particle track reconstruction. The most promising of these solutions, graph neural networks (GNN), process the event as a graph that connects track measurements (detector hits corresponding to nodes) with candidate line segments between the hits (corresponding to edges). Detector information can be associated with nodes and edges, enabling a GNN to propagate the embedded parameters around the graph and predict node-, edge- and graph-level observables. Previously, message-passing GNNs have shown success in predicting doublet likelihood, and we here report updates on the state-of-the-art architectures for this task. In addition, the Exa.TrkX project has investigated innovations in both graph construction, and embedded representations, in an effort to achieve fully learned end-to-end track finding. Hence, we present a suite of extensions to the original model, with encouraging results for hitgraph classification. In addition, we explore increased performance by constructing graphs from learned representations which contain non-linear metric structure, allowing for efficient clustering and neighborhood queries of data points. We demonstrate how this framework fits in with both traditional clustering pipelines, and GNN approaches. The embedded graphs feed into high-accuracy doublet and triplet classifiers, or can be used as an end-to-end track classifier by clustering in an embedded space. A set of post-processing methods improve performance with knowledge of the detector physics. Finally, we present numerical results on the TrackML particle tracking challenge dataset, where our framework shows favorable results in both seeding and track finding.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Automatic 3D image registration for nano-resolution chemical mapping using synchrotron spectro-tomography

Nano-resolution synchrotron X-ray spectro-tomography has been demonstrated as a powerful tool for probing the three-dimensional (3D) structural and chemical heterogeneity of a sample. By reconstructing a number of tomographic data sets recorded at different X-ray energy levels, the energy-dependent intensity variation in every given voxel fingerprints the corresponding local chemistry. The resolution and accuracy of this method, however, could be jeopardized by non-ideal experimental conditions, e.g. instability in the hardware system and/or in the sample itself. Herein is presented one such case, in which unanticipated sample deformation severely degrades the data quality. Here, to address this issue, an automatic 3D image registration method is implemented to evaluate and correct this effect. The method allows the redox heterogeneity in partially delithiated Li x Ta 0.3 Mn 0.4 O 2 battery cathode particles to be revealed with significantly improved fidelity.

3D image registration↗
DOE OSTI2024

The ALICE experiment: a journey through QCD

The ALICE experiment was proposed in 1993, to study strongly-interacting matter at extreme energy densities and temperatures. This proposal entailed a comprehensive investigation of nuclear collisions at the LHC. Its physics programme initially focused on the determination of the properties of the quark–gluon plasma (QGP), a deconfined state of quarks and gluons, created in such collisions. The ALICE physics programme has been extended to cover a broader ensemble of observables related to Quantum Chromodynamics (QCD), the theory of strong interactions. The experiment has studied Pb–Pb, Xe–Xe, p–Pb and pp collisions in the multi-TeV centre of mass energy range, during the Run 1–2 data-taking periods at the LHC (2009–2018). The aim of this review is to summarise the key ALICE physics results in this endeavor, and to discuss their implications on the current understanding of the macroscopic and microscopic properties of strongly-interacting matter at the highest temperatures reached in the laboratory. It will review the latest findings on the properties of the QGP created by heavy-ion collisions at LHC energies, and describe the surprising QGP-like effects in pp and p–Pb collisions. Measurements of few-body QCD interactions, and their impact in unraveling the structure of hadrons and hadronic interactions, will be discussed. ALICE results relevant for physics topics outside the realm of QCD will also be touched upon. Finally, prospects for future measurements with the ALICE detector in the context of its planned upgrades will also be briefly described.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Biogeochemical controls on iron speciation and cycling across upland to shoreline gradients in freshwater and estuarine coastal soils (Lake Erie and Chesapeake Bay, United States)

Coastal environments are dynamic interfaces that mediate carbon and nutrient exchanges between terrestrial landscapes and open waters, and understanding the biogeochemical factors controlling these exchanges, particularly iron (Fe) redox transformations, is crucial for predicting coastal ecosystem functions. Here, we investigated the mechanisms controlling Fe speciation changes across upland-to-shoreline gradients in freshwater and estuarine soils using Fe K-edge X-ray absorption spectroscopy, solid and porewater composition analysis, and 16S rRNA sequencing analysis. We show that Fe transformations depend primarily on inundation patterns. In unsaturated uplands, Fe occurs as Fe(III) oxyhydroxides, mainly goethite (9–35 %), Fe(II,III)-phyllosilicates (39–89 %), and Fe(III)-organic species (0–61 %). Soils influenced by estuarine waters exhibit porewater sulfide concentrations reaching up to 221 μM, Fe- and S-cycling bacteria, and up to 81 % pyrite (FeS 2 ), indicating that sulfur-driven redox dynamics control Fe transformations. In lacustrine wetlands, Fe(III) reduction is indicated by porewater Fe(II) concentrations increasing to 1.0–2.1 mM, and ~10–15 % of Fe as Fe(II,III)-(hydr)oxides (green rust), vivianite (Fe 3 (PO 4 ) 2 ·8H 2 O), and/or adsorbed Fe(II) species. EXAFS data also indicate reduction of structural Fe(III) to Fe(II) in phyllosilicates. The presence of Fe- and S-cycling bacteria, as well as sulfide (0–10 μM), suggests that Fe-cycling is microbially driven and potentially coupled with cryptic S-cycling. Fe(II) oxidation was indicated above/near the water table by the presence of Fe(III) oxyhydroxides (ferrihydrite, lepidocrocite). Furthermore, negligible Fe(III) or sulfate reduction was observed at some water-saturated sites located at the upland-wetland transition, likely due to oxic (sub-)surface water inputs. Overall, our results highlight the importance of considering both Fe-speciation and hydro-biogeochemical dynamics when predicting Fe-cycling at coastal interfaces.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Lessons Learned from Hanford's Purex Tunnel 2 Structural Stabilization Project - 20509

In 2019, U.S. Department of Energy (DOE) contractor CH2M Hill Plateau Remediation Company (CHPRC) completed structurally stabilizing the Plutonium Uranium Extraction Plant (Purex) waste storage Tunnel 2 with engineered grout. This action significantly reduced risk to Hanford workers, the surrounding community and environment by preventing future collapse of the tunnel and possible release of radioactive materials. Decades of plutonium production at the Purex facility required construction of two large underground tunnels for storage of highly contaminated plutonium processing equipment that had failed during the operation of Purex and other facilities across the Hanford Site. Following the partial collapse of Purex Tunnel 1 on May 9, 2017, DOE and CHPRC took immediate action to safely stabilize the collapsed section of the tunnel. The hole in the tunnel was filled the next day as a temporary stabilization measure, and no contamination was detected as a result of the partial collapse of the tunnel. Workers then stabilized Tunnel 1 in its entirety by filling with engineered grout, which also encapsulated the radioactive equipment and railcars within the tunnel. Grouting eliminated the risk of further collapse and stabilized the tunnel contents, all while not precluding future remedial actions or final closure decisions. While conducting an integrity analysis of Tunnel 1 by using construction drawings, photos and other historical documents, project teams also analyzed the much larger Purex Tunnel 2. The analysis found Tunnel 2 did not meet current codes for structural integrity, and it may not be able to bear the weight of the soil above the tunnel. Therefore, it was determined that Tunnel 2 was also at risk of collapse. DoE's independent panel of experts determined grouting to be the best choice for stabilizing Tunnel 2 because it provides the highest level of stability and protection, and does not preclude future remedial actions. DOE authorized CHPRC to commence work and the Purex Tunnel 2 Structural Stabilization Project was launched in December of 2017. The paper will discuss the process of recognizing the following critical aspects and risks associated with stabilizing Tunnel 2, and the actions taken by the project team to mitigate these risks, including: - Tunnel investigation and data collection to assist with future remediation; - On-site batching and mock-ups to provide the large quantity of grout required for stabilizing the tunnel; - Workforce involvement and innovative actions that mitigated the project's most significant potential hazards, including traffic control; - Project team high level of execution translated into successful project execution. Sharing lessons learned from this critical risk-reduction effort can enhance the safety and efficiency of other complex and hazardous projects across the DOE complex. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Charge radii of exotic neon and magnesium isotopes

We compute the charge radii and ground-state energies of even-mass neon and magnesium isotopes from neutron number N = 8 to the dripline. Our calculations are based on nucleon-nucleon and three-nucleon potentials from chiral effective field theory that include Δ isobars. These potentials yield an accurate saturation point and symmetry energy of nuclear matter. We use the coupled-cluster method and start from an axially symmetric reference state. Binding energies and two-neutron separation energies largely agree with data, and the dripline in neon is accurate. The computed charge radii are accurate for many isotopes where data exist. Finer details, such as isotope shifts, however, are not accurately reproduced. These chiral potentials indicate a subshell closure at N = 14 for the radii (but not for two-neutron separation energies) and a decrease in charge radii at N = 8 (observed in neon and predicted for magnesium). Furthermore, they yield a continued increase of charge radii as neutrons are added beyond N = 14 yet underestimate the large increase at N = 20 in magnesium.

20 ≤ A ≤ 38↗
DOE OSTI2022

Impact of aqueous solution pH on network structure of corrosion–induced surface layers of boroaluminosilicate glass

Understanding of the long-term stability of vitrified nuclear waste glass is critical to its safe storage, but knowledge gaps remain regarding the corrosion mechanism, especially with respect to surface alteration layers whose presence changes the observed corrosion rates. Here, we report the aqueous corrosion of a model boroaluminosilicate glass at ground water relevant pHs as investigated by vibrational spectroscopy to understand the network structure of the alteration layer that we hypothesize controls the corrosion rates. Both specular reflection infrared spectroscopy and infrared variable angle spectroscopic ellipsometry were used to elucidate details of the structure of the alteration layers formed at pH 7 and pH 9. After 2312 days, the thickness of the alteration layer is found to be ~2000 nm for corrosion at pH 7 and ~300 nm for corrosion at pH 9. Here, the interpretation of the vibrational spectra suggests that alteration layers formed at pH 7 and pH 9 both exhibit a porous network with "silica-like" structures, but with differences in the bond lengths and bond angles in the glass network. Moreover, the relative abundance of the hydrous species within the porous network appears to be dependent on pH. Additionally, the spectroscopic data suggest that the B and Ca trapped in the alteration layer during the secondary corrosion of the pH 9 pre-corroded sample in pH 3 solution are hydrated within the nano-porous layer and not bound to the silicate network. However, the precise chemical form remains to be determined. Based on these findings, we propose that the combination of the network structure of the alteration layer and the relative abundance of hydrous species within the alteration layer act to control the transport of ionic species dissolved from the reaction front to the aqueous solution outside the glass.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Compare predictions of transient fission gas release by empirical and mechanistic models to experiments in high burnup UO 2 fuel

Understanding and predicting fuel performance at high burnup require improving our understanding of transient fission gas release. High-burnup operations enable new mechanisms of fission gas release, which affect fuel performance. The Nuclear Regulatory Commission has recently published its interpretation of existing fuel fragmentation, relocation, and dispersal data in a research information letter. There, transient fission gas release was identified as one of the main factors that contributes to fuel fragmentation, relocation, and dispersal, and therefore limits fuel extension to high burnup. However, transient fission gas release is a complex phenomenon that cannot be fully described by simple empirical descriptions. This report summarizes the development of a mechanistic model for high-burnup transient fission gas release in the fuel performance code BISON. This research was supported by the Nuclear Energy Advanced Modeling and Simulation program during fiscal year 2023 to improve our understanding of high-burnup transient fission gas release and ability to predict it as a function of operation history. To support the development of a mechanistic transient fission gas release model, the existing Simple Integrated Fission Gas Release and Swelling (Sifgrs) model in BISON has been completely refactored to make it more modular and extensible. This effort supports the model's application to high-burnup conditions, its extension to other fuel forms, and the continuous improvement of its current features. Once refactoring was completed, models for high-burnup structure formation, fission gas transfer from non-restructured fuel to high-burnup structure, high-burnup structure intragranular and intergranular fission gas behavior, high-burnup structure bubble evolution, fuel pulverization, and the resulting transient fission gas release were tested and implemented in the Simple Integrated Fission Gas Release and Swelling (Sifgrs) model or tightly coupled to it. The new mechanistic model was then compared to an empirical model developed in parallel by a Nuclear Energy University Program project using a Studsvik high-burnup loss-of-coolant-accident assessment case. Finally, the report details the preliminary BISON results for a benchmark activity organized by the Nuclear Energy Agency to evaluate fuel performance codes' predictive capabilities for burst fission gas release. This work represents an important step toward a mechanistic understanding of fission gas release in high-burnup conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Contaminant Transport Modeling for Technology Evaluation and Long-Term Monitoring in the Tims Branch Testbed, SC - 20343

Studies conducted at U.S. DOE sites have shown the presence of heavy metals, radionuclides, and volatile organic compounds in surface water, groundwater, and soil as a result of nuclear activity in the Cold War era. Since the 1990's, innovative cleanup methods have been implemented in the Tims Branch watershed at Savannah River Site (SRS) to limit the contaminant flux to the stream that have reduced the contaminant concentrations to acceptable regulatory levels in the dissolved phase. A tin-based treatment which effectively eliminated all local anthropogenic mercury inputs to this ecosystem resulted in a known step function addition of inert tin oxide particles which now serve as a potential tracer for sedimentation and particle transport processes in the stream. The long-term effectiveness of this and other remediation techniques and the potential for remobilization of adsorbed contaminant in sediment during extreme hydrologic conditions however remains unclear. It is therefore important to understand not only the fate and transport of dissolved contaminants, but also the movement of sediment and the relevant interactions with dissolved contaminant. To narrow this knowledge gap, a study is being conducted using the Tims Branch watershed as a stream-scale ecosystem test-bed to identify the primary transport processes of major contaminants of concern (such as mercury, nickel and uranium) with an emphasis on interactions with sediment transport. This involves the development of a fully distributed hydrologic watershed model of the Tims Branch watershed to predict streamflow under extreme weather conditions, as well as the development of a comprehensive contaminant transport model that can properly account for coupled contaminant and sediment transport. Review of relevant research reports and peer-reviewed journals revealed that aside from advection-dispersion transport of dissolved contaminants, adsorption and desorption with suspended solids and bed sediment also play an important role in the transport of those contaminants of concern. To develop the fully distributed hydrologic watershed model, the MIKE SHE 2-dimensional (2D) land surface/3D groundwater model that simulates surface/subsurface hydrologic processes (such as overland flow, evapotranspiration, and infiltration) was coupled with a 1D streamflow model that accounts for stream water hydraulics (such as hydraulic structures, cross-sections, and network). To model contaminant transport, the MIKE 11 streamflow component was coupled with the MIKE 11 AD module that simulates solute transport through advection and dispersion, and MIKE ECO Lab module that accounts for both sediment transport and interactions with dissolved contaminant. At this stage, the development and optimization of the fully distributed hydrologic model has been completed, achieving satisfactory statistical results between observed and predicted discharge as indicated by a root mean square error (RMSE) of 0.039 cms and a Nash-Sutcliffe efficiency coefficient (NSE) of 0.764. The ongoing development of the contaminant transport model has also yielded realistic results from preliminary tests. Results from this study are a key to evaluating the effectiveness of tin (II)-based mercury treatment of wetlands at the SRS site, and are also relevant to evaluating the potential of using this type of novel remediation technology in other mercury-contaminated stream systems. Knowledge acquired from this research will also support interpretation of historical data on the trends of contaminant concentration distribution in Tims Branch, particularly considering the effect of extreme hydrological events on the stream flow and pollutant transport. (authors)

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

Structural Health Monitoring: Using an Autoencoder to Identify Damage in a Bolted Joint [Capstone Project]

Los Alamos National Laboratory (LANL) is an important fixture in the United States Department of Energy’s (DOE) National Nuclear Security Agency (NNSA) complex. LANL is one of the largest national laboratories in the country, and the laboratory’s primary mission is to support the nation’s nuclear stockpile. The lab functions as a design agencies for the NNSA and performs extensive testing on weapons as part of that mission. The shock and vibration test team at LANL utilizes electrodynamic shaker systems for important qualification testing in support of the laboratory’s mission. Modern engineering relies heavily on bolted joints to connect two objects. During these shaker tests, engineers depend on bolted joints to secure the test article to a fixture and the fixture to the table. The test article may be hazardous and contain high explosives which could create a safety issue if a bolted joint failed. A loss of preload in a bolt will affect the way energy is input to the system and may introduce nonlinearities as the joint opens and closes. The loss of preload can create challenges controlling the test and make acquired signals useless. Being able to monitor preload within bolted joints during testing can improve the quality of the data and keep workers safe.

42 ENGINEERING↗
DOE OSTI2023

Detailed study of quark-hadron duality in spin structure functions of the proton and neutron

Background: The response of hadrons, the bound states of the strong force (QCD), to external probes can be described in two different, complementary frameworks: as direct interactions with their fundamental constituents, quarks and gluons, or alternatively as elastic or inelastic coherent scattering that leaves the hadrons in their ground state or in one of their excited (resonance) states. The former picture emerges most clearly in hard processes with high momentum transfer, where the hadron response can be described by the perturbative expansion of QCD, while at lower energy and momentum transfers, the resonant excitations of the hadrons dominate the cross section. The overlap region between these two pictures, where both yield similar predictions, is referred to as quark-hadron duality and has been extensively studied in reactions involving unpolarized hadrons. Some limited information on this phenomenon also exists for polarized protons, deuterons, and 3 He nuclei, but not yet for neutrons. Purpose: In this paper, we present comprehensive and detailed results on the correspondence between the extrapolated deep inelastic structure function g 1 of both the proton and the neutron with the same quantity measured in the nucleon resonance region. Thanks to the fine binning and high precision of our data, and using a well-controlled perturbative QCD (pQCD) fit for the partonic prediction, we can make quantitative statements about the kinematic range of applicability of both local duality and global duality. Method: We use the most updated QCD global analysis results at high x from the Jefferson Lab Angular Momentum Collaboration to extrapolate the spin structure function g 1 into the nucleon resonance region and then integrate over various intervals in the scaling variable x. We compare the results with the large data set collected in the quark-hadron transition region by the CLAS Collaboration, including, for the first time, deconvoluted neutron data, integrated over the same intervals. We present this comparison as a function of the momentum transfer Q 2 . Results: We find that, depending on the integration interval and the minimum momentum transfer chosen, a clear transition to quark-hadron duality can be observed in both nucleon species. Furthermore, we show, for the first time, the approach to scaling behavior for g 1 measured in the resonance region at sufficiently high momentum transfer. Conclusions: Here, our results can be used to quantify the deviations from the applicability of pQCD for data taken at moderate energies and can help with extraction of quark distribution functions from such data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Creep-fatigue Behavior and Damage Accumulation of a Candidate Structural Material for Concentrating Solar Power Solar Thermal Receiver (Final Technical Report)

Creep-fatigue deformation is an important consideration for a thermal receiver in Concentrating Solar Power systems due to the constant static stress or pressure, diurnal cycling, and elevated service temperatures required for efficient operation. An accurate description of the creep-fatigue behavior, not available for five of the six candidate materials, is important for assessment of preliminary designs. This project has provided a detailed analysis of the creep-fatigue behavior and damage accumulation of Alloy 740H, a candidate structural material for a CSP solar thermal receiver to address a critical knowledge barrier for receiver designs identified in the CSP Gen3 Demonstration Roadmap. This project was divided in to three tasks, split between two general categories: Experimental and design methodology. Tasks 1 and 3, relating to the collection of data on Alloy 740H plate and sheet forms, respectively, were performed at the Idaho National Laboratory and used as input to Task 2, the development of design methodology performed at Argonne National Laboratory. Experimental work covered limited tensile and creep testing to fill gaps in available data that is currently available and to demonstrate how the plate of Alloy 740H tested in this work compared to historical data. A more substantial testing program for fatigue and creep-fatigue was performed, with particular emphasis on creep-fatigue as there is little available data and it is necessary to understand the creep-fatigue interaction and develop related design models. This effort includes the development of rules for the design of solar receiver components against high temperature creep-fatigue and ratcheting failure modes. The ASME Code rules for high temperature nuclear components was used to the basis of the method but adjustments will be made to reflect the generally shorter, diurnal operating cycles of thermal receivers and the relative consequences of failure, comparing nuclear to solar components. This work has provided guidance for the design of components for concentrating power facilities operating at high temperatures and undergoing high, secondary thermal stresses relative to the applied primary pressure stress. The design rules were developed for the design of Generation 3 CSP tubular receivers manufactured from Alloy 740H, but are generally applicable to a wide range of component types undergoing similar loads. Procedural design rules for components to be used in conjunction with the 2019 edition of the ASME Boiler & Pressure Vessel Code and the corresponding design data for Alloy 740H have been developed. A commentary describing the rationale behind the design rules and the data underlying the design material properties, as well as an extensive set of worked sample problems detailing the application of the rules to CSP components were developed as a part of this project, with a separate report covering these aspects in detail and included in the Appendix of this report.

14 SOLAR ENERGY↗
DOE OSTI2025

Measurement of magnetic dipole strength in 40 Ar between 9.3 and 10.3 MeV excitation energy and impact on neutral current neutrino interaction

The magnetic dipole strength 𝐵⁡(𝑀⁢1 ↑) of 40 Ar was measured in the excitation energy range between 9.3 and 10.3 MeV. The nuclear resonance fluorescence technique was used with monoenergetic, linearly polarized incident photon beams. The new data increase the known 𝐵⁡(𝑀⁢1 ↑) strength in this important excitation energy range by a factor of 2, resulting in an equivalent increase of the calculated neutral current neutrino cross section of 40 Ar . This observation is of special interest for liquid-argon (LAr)-based neutrino detectors. 𝐵⁡(𝑀⁢1 ↑) strength has not been found between 10.3 and 11.7 MeV excitation energy. In conclusion, with the new data, a more reliable detection capability of the large Deep Underground Neutrino Experiment LAr detectors can be derived for potential core-collapse supernova neutrinos via the neutral current interaction.

Energy levels↗
DOE OSTI2020

Sensitive Resources Assessment and Forest Analysis for the Proposed Versatile Test Reactor, Oak Ridge, Tennessee

The US Department of Energy’s (DOE’s) Oak Ridge National Laboratory (ORNL) is a leading institution in advanced materials, supercomputing, neutrons, and nuclear science. As a research laboratory managed by UT-Battelle, LLC for DOE, ORNL has national priorities in energy, security, and scientific discovery that necessitate facility improvements and expansions. DOE is also committed to environmental stewardship. The laboratory is located on the ~32,000-acre (~13,000-ha) Oak Ridge Reservation (ORR), much of which is categorized as a National Environmental Research Park (NERP) and a state Wildlife Management Area. DOE works with the Tennessee Wildlife Resources Agency (TWRA), Tennessee Department of Environment and Conservation (TDEC), US Fish and Wildlife Service (USFWS), US Department of Agriculture, and other agencies to serve as an effective steward of the ORR. Accordingly, project managers must conform to environmental regulations, agreements, and policies at the federal, state, and institutional levels. Per 40 CFR (Code of Federal Regulations) 1508.14, potential effects on research and science education also represent potential effects of federal actions on the NERP, and impacts on, e.g., deer harvest, must be considered on the Oak Ridge Wildlife Management Area when other aspects of the human environment are affected. The United States currently has no fast neutron testing capability to support advanced nuclear research and development. The proposed Versatile Test Reactor (VTR) will take advantage of current investments by the US government and private industry in nuclear reactors to expedite the design and construction process, using proven technology to create a world-class scientific infrastructure. The VTR will take advantage of fast neutrons provided by this proven technology, along with a capability to rapidly insert, conduct, and remove state-of-the-art experiments. An advantage of the VTR is that it can support future innovations in experimental capabilities without modifying the facility. The VTR will support progress in a variety of science and technology areas, including testing and qualification of advanced reactor fuels; testing and qualification of innovative structural materials; testing of innovative components and instruments; validation of advanced modeling and simulation tools; and versatility for future technical missions. Through proven technology, the VTR can take advantage of existing reactor designs and operating experience to reduce the risk, cost, and time for design and construction. The top available resources of DOE laboratories, industry, and universities will be used to expedite reactor design and construction toward developing the scientific infrastructure that affords a strong testing capability that can be sustained over many years. This report summarizes current knowledge of natural and cultural resources primarily within the VTR construction area. At the time of this report, the proposed VTR site design includes a construction area of ~150.4 acres (~69.9 ha), which contains an ~51.3-acre (~20.8-ha) operations area, located within forested natural areas of the ORR. The primary goal of the work presented here was to evaluate potential effects on sensitive resources that might result from development and construction activities associated with VTR. In addition to on-the-ground surveys during spring and summer 2020 by the ORNL Natural Resources Management Program and Aquatic Ecology Group staff, this report makes use of historical (pre-1995) and contemporary (1995 to present) data from additional confirmed sources (e.g., TDEC). Likewise, forest conditions were compiled from a 2011 forest inventory and supplemented with limited ground observations in 2020. The individuals who obtained and compiled the data presented here are familiar with and routinely assess sensitive resources on the ORR. Anyone who references this report must consider that the timing of surveys did not permit a complete delineation of the resources that will be affected. If the VTR project proceeds, additional surveys will be required to account for the seasonal patterns of various threatened and endangered species. Data deficiencies and potential resources that likely went undetected are indicated where possible. Accordingly, this report should facilitate more environmentally sound decisions during planning and 2 development of the VTR site, provide a foundation for further assessment of sensitive and cultural resources, and help project managers better address regulatory guidance and DOE policies on sustainable development in compliance with, for example, the US Endangered Species Act (ESA), Migratory Bird Treaty Act (MBTA), Tennessee Rare Plant Protection and Conservation Act of 1985, Tennessee Nongame and Endangered or Threatened Wildlife Species Conservation Act of 1974, several federal and state regulations regarding aquatic resource protection, and site-specific policies as outlined in various ORR management plans developed by ORNL and TWRA for DOE.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Reconstruction of the Density Power Spectrum from Quasar Spectra using Machine Learning

We describe a novel end-to-end approach using Machine Learning to reconstruct the power spectrum of cosmological density perturbations at high redshift from observed quasar spectra. State-of-the-art cosmological simulations of structure formation are used to generate a large synthetic dataset of line-of-sight absorption spectra paired with 1-dimensional fluid quantities along the same line-of-sight, such as the total density of matter and the density of neutral atomic hydrogen. With this dataset, we build a series of data-driven models to predict the power spectrum of total matter density. We are able to produce models which yield reconstruction to accuracy of about 1% for wavelengths $k \leq 2 h Mpc^{-1}$, while the error increases at larger $k$. We show the size of data sample required to reach a particular error rate, giving a sense of how much data is necessary to reach a desired accuracy. This work provides a foundation for developing methods to analyse very large upcoming datasets with the next-generation observational facilities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1996

The calculation of radial dose from heavy ions: predictions of biological action cross sections

The track structure model of heavy ion cross sections was developed by Katz and co-workers in the 1960s. In this model the action cross section is evaluated by mapping the dose-response of a detector to gamma rays (modeled from biological target theory) onto the radial dose distribution from delta rays about the path of the ion. This is taken to yield the radial distribution of probability for a "hit" (an interaction leading to an observable end-point). Radial integration of the probability yields the cross section. When different response from ions of different Z having the same stopping power is observed this model may be indicated. Since the 1960s there have been several developments in the computation of the radial dose distribution, in the measurement of these distributions, and in new radiobiological data against which to test the model. The earliest model, by Butts and Katz made use of simplified delta ray distribution functions, of simplified electron range-energy relations, and neglected angular distributions. Nevertheless it made possible the calculation of cross sections for the inactivation of enzymes and viruses, and allowed extension to tracks in nuclear emulsions and other detectors and to biological cells. It set the pattern for models of observable effects in the matter through which the ion passed. Here we outline subsequent calculations of radial dose which make use of improved knowledge of the electron emission spectrum, the electron range-energy relation, the angular distribution, and some considerations of molecular excitation, of particular interest both close to the path of the ion and the outer limits of electron penetration. These are applied to the modeling of action cross sections for the inactivation of several strains of E-coli and B. subtilis spores where extensive measurements in the "thin-down" region have been made with heavy ion beams. Such calculations serve to test the radial dose calculations at the outer limit of electron penetration. We lack data from which to test these calculations in regions close to the path of the ion aside from our earliest work on latent tracks in plastics, though it appears that the criterion then suggested for the threshold of track formation, of a minimal dose at a minimal distance (of about 20 angstroms, in plastics), remains valid.

NASA Discipline Radiation Health↗
DOE OSTI2024

ASMS 2024 Investigation of Uranyl Perchlorate Anion Complexes in the Gas Phase via Infrared Multiphoton Dissociation and Collision Induced Dissociation

Investigation of Uranyl Perchlorate Anion Complexes in the Gas Phase via Infrared Multiphoton Dissociation and Collision Induced Dissociation Brittany D. M. Hodges, Christopher A. Zarzana, JungSoo Kim, Jonathan Martens, and W. C. M. Berden Introduction (120 words max) Effects of electronic structure on chemical bonding and reactivity play critical roles shaping the chemical bonding and reactivity behaviors of heavy elements. Understanding the role of f electrons in bond formation between the actinide-series elements like uranium with other ligands is critical for solving technical challenges associated with these heavy elements, important to nuclear fuel cycles, efficient separations of rare earth metals, and understanding the chemistry of stored nuclear fuels and related environmental management sites. In this study, we further examine the interactions between uranyl and the perchlorate ion in order to understand the structures of these ions through the use of IRMPD. Here we report the IRMPD spectra of [UO2(ClO4)3]-, [UO3(ClO4)2]-, and a proposed transition state. Methods (120 word max) IRMPD spectra and CID spectra were acquired using a Bruker amaZon QIT/MS instrument at the Free-Electron Lasers for Infrared eXperiments (FELIX) laboratory at Radboud University. The FELIX QIT/MS is modified to allow for the high-intensity tunable IR beam from FELIX to be directed into the ion packet, resulting in multiphoton dissociation that is measured only when the IR frequency is in resonance with an adequately high absorption vibrational mode of the mass-selected complex. DFT geometry optimizations and frequency calculations using the Gaussian suite of programs were performed using B3LYP, TPSSh, and PBE0 level of theory with 6-31+G(d) basis for the O, C, H, and N atoms and the SDD basis set for U. The SDD basis set employs the Stuttgart/Dresden effective core potential. Preliminary Data or Plenary Speakers Abstract (300 words max) Metal ion clusters of uranyl perchlorate were formed via direct electrospray ionization. For each metal ligand complex of interest, the parent ion was isolated and collision induced dissociation fragmentation and Infrared Multiphoton Dissociation (IRMPD) fragmentation spectra were acquired. Results presented here are the first look at the IRMPD spectra of [UO3(ClO4)2]-, [UO2(ClO4)3]-. Structures were examined using Gaussian at different levels of theory B3LYP level of theory, TPPSh and PBE0 levels, to reflect the behaviors of uranium metal ligand complexes most accurately. In these structures, we identified an overlap between each of these uranyl stretches resulting in their largely being obscured by a perchlorate mode. The CID product spectra agree with similar structures reported by Groenewold for uranyl nitrate in 2006 (10.1021/ja058106n).

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

High precision measurements of α 𝑠 at the future EIC

Here, we present a projection study for the first moments of the inclusive spin structure function ∫𝑔 1 ⁡(𝑥,𝑄 2 )𝑑𝑥 for the proton and neutron from simulated doubly-polarized $\overrightarrow{e}$ $⁢\overrightarrow{p}$ and $\overrightarrow{e}$ − $\overrightarrow{^{3}He}$ collision data expected from the Electron Ion Collider. For detection and extraction of the neutron spin asymmetries from $\overrightarrow{e}$ − $\overrightarrow{^{3}He}$ collisions, we used the double-tagging method which significantly reduces the uncertainty over the traditional inclusive method. Using the Bjorken Sum Rule, the projected results allow us to determine that the QCD coupling at the 𝑍-pole 𝛼 𝑠 ⁡(𝑀$^2_{Z^0}$) can be measured with a relative precision of 1.3%. This underscores the significance of the EIC for achieving precision determinations of 𝛼 𝑠 .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗