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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Statistics of dislocation pinning at localized obstacles

Pinning of dislocations at nanosized obstacles like precipitates, voids, and bubbles is a crucial mechanism in the context of phenomena like hardening and creep. The interaction between such an obstacle and a dislocation is often studied at fundamental level by means of analytical tools, atomistic simulations, and finite element methods. Nevertheless, the information extracted from such studies cannot be utilized to its maximum extent on account of insufficient information about the underlying statistics of this process comprising a large number of dislocations and obstacles in a system. Here, we propose a new statistical approach, where the statistics of pinning of dislocations by idealized spherical obstacles is explored by taking into account the generalized size-distribution of the obstacles along with the dislocation density within a three-dimensional framework. Starting with a minimal set of material parameters, the framework employs the method of geometrical statistics with a few simple assumptions compatible with the real physical scenario. The application of this approach, in combination with the knowledge of fundamental dislocation-obstacle interactions, has successfully been demonstrated for dislocation pinning at nanovoids in neutron irradiated type 316-stainless steel in regard to the non-conservative motion of dislocations. An interesting phenomenon of transition from rare pinning to multiple pinning regimes with increasing irradiation temperature is revealed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Glass Property-Composition Models Update for use in Direct Feed High-Level Waste Flowsheet Development: EWG3.0

A set of preliminary glass property models and constraints were developed and augmented by models from literature for use in design of Direct Feed High-Level Waste glasses for flowsheet evaluation, testing, and design of the High-Level Waste Facility at the Hanford Waste Treatment and Immobilization Plant. These models and constraints are meant to be used as a placeholder while glass property-composition data gaps are filled and final plant operating models are developed. This report describes the motivation and intended use of the models, the compilation of data, model fitting and selection, and methods to apply the models and constraints in glass design, and offers example calculations demonstrating their intended use.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2013

System and method for implementing enhanced optics fabrication

A system and method are provided for implementing enhanced optics fabrication for making a concave focusing optical lens with a selected material of a crystal or an amorphous material and a support member. A cut-out is formed in the support member with a depth based upon the final, desired curvature of the concave focusing optical lens. The cut-out is partially filled with an epoxy and the selected crystal or amorphous material is placed on top thereby creating a quasi-vacuum seal. A vacuum pump is connected to the support member, providing a set vacuum level until the epoxy has hardened and the selected crystal or amorphous material has achieved its final curvature. Vacuum pressure is substantially uniformly applied to the crystal, providing substantially uniform stresses on the surface of the final concave focusing optical lens.

Maj, Jozef A.↗
DOE OSTI2023

High-Nickel Cathode Materials for High-Energy, Long-Life, Low-Cost Lithium-Ion Batteries (Final Report)

The overall goal of this project is to produce Li-ion cells, which deliver at least 600 Wh kg -1 at the cathode level with usable lifetimes of at least 1,000 cycles or 15 years of storage (calendar life). A secondary goal of this project is to minimize the use of cobalt in the cathode, with the ultimate goal of eliminating cobalt entirely. To develop such a cathode, the University of Texas at Austin (UT Austin) team extensively investigated the structural, physical, and chemical properties of layered oxide materials. A panel of dopant elements were surveyed with an emphasis on identifying those, which impart electrochemical and thermal stability. Of those tested, Al and Mg showed the greatest performance improvements while still being easily incorporated into the cathode through simple alterations of the precursor coprecipitation method. Other dopants, such as Ta, Nb, B, and F significantly improved cathode performance, yet their mode of incorporation required additional processing which negated their use under scaled-up conditions. From this work, a first-generation cathode LiNi 0.85 Mn 0.075 Co 0.05 Al 0.02 Mg 0.005 O 2 (NMCAM-85) was produced and an initial set of 2 Ah cells was fabricated by Tesla Inc. These cells delivered 650 Wh kg -1 and a cycle life of just over 700 cycles. Further improvements were garnered through careful study of electrolyte additives. A tailored, ethylene carbonate (EC)-free electrolyte was developed, which improved capacity retention from 60% to 82% after 500 cycles in model LiNi 0.9 Mn 0.05 Al 0.05 O 2 (NMA-90) full cells. This study identified the additives fluoroethylene carbonate (FEC) and lithium difluorophosphate (LiPO 2 F 2 ) as beneficial additives, which were included in the electrolyte for the end-of-project cells. The UT Austin team developed a high-Ni layered oxide cathode LiNi 0.85 Mn 0.1 Al 0.05 Mg 0.005 O 2 (NMAM-85) capable of meeting the project goals. This cathode was synthesized in kilogram quantities and delivered to Tesla for fabrication into 2 Ah pouch cells for DOE testing. These large-format cells achieved 630 Wh kg -1 at the cathode level under the designated testing parameters, meeting the project goal with a completely cobalt-free cathode. The large-format cells are currently undergoing cycle life and calendar life evaluation at Idaho National Lab.

25 ENERGY STORAGE↗
DOE OSTI2025

Global bases for nonplanar loop integrands, generalized unitarity, and the double copy to all loop orders

We introduce a constructive method for defining a global loop-integrand basis for scattering amplitudes, encompassing both planar and nonplanar contributions. Our approach utilizes a graph-based framework to establish a well-defined, non-redundant basis of integrands. This basis, constructed from a chosen set of non-redundant graphs together with a selection of irreducible scalar products, provides clear insights into various physical properties of scattering amplitudes and proves useful in multiple contexts, such as on-shell Ward identities and manifesting gauge-choice independence. A key advantage of our integrand basis is its ability to streamline the generalized unitarity method. Specifically, we can directly read off the coefficients of basis elements without resorting to ansätze or solving linear equations. This novel approach allows us to lift generalized unitarity cuts — expressed as products of tree amplitudes — to loop-level integrands, facilitating the use of the tree-level double copy to generate complete gravitational integrands at any loop order. This method circumvents the difficulties in identifying complete higher-loop-order gauge-theory integrands that adhere to the color-kinematics duality. Additionally, our cut-based organization is well-suited for expansion in hard or soft limits, aiding in the exploration of ultraviolet or classical limits of scattering amplitudes.

Effective Field Theories↗
DOE OSTI2014

Andromeda (M31) optical and infrared disk survey. I. Insights in wide-field near-IR surface photometry

We present wide-field near-infrared J and K{sub s} images of the Andromeda Galaxy (M31) taken with WIRCam at the Canada-France-Hawaii Telescope as part of the Andromeda Optical and Infrared Disk Survey. This data set allows simultaneous observations of resolved stars and near-infrared (NIR) surface brightness across M31's entire bulge and disk (within R = 22 kpc), permitting a direct test of the stellar composition of near-infrared light in a nearby galaxy. Here we develop NIR observation and reduction methods to recover a uniform surface brightness map across the 3° × 1° disk of M31 with 27 WIRCam fields. Two sky-target nodding strategies are tested, and we find that strictly minimizing sky sampling latency cannot improve background subtraction accuracy to better than 2% of the background level due to spatio-temporal variations in the NIR skyglow. We fully describe our WIRCam reduction pipeline and advocate using flats built from night-sky images over a single night, rather than dome flats that do not capture the WIRCam illumination field. Contamination from scattered light and thermal background in sky flats has a negligible effect on the surface brightness shape compared to the stochastic differences in background shape between sky and galaxy disk fields, which are ∼0.3% of the background level. The most dramatic calibration step is the introduction of scalar sky offsets to each image that optimizes surface brightness continuity. Sky offsets reduce the mean surface brightness difference between observation blocks from 1% to <0.1% of the background level, though the absolute background level remains statistically uncertain to 0.15% of the background level. We present our WIRCam reduction pipeline and performance analysis to give specific recommendations for the improvement of NIR wide-field imaging methods.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Ab Initio Study of Carbon Impurities in Cu$_2$ ZnSnS$_4$

Cu 2 ZnSnS 4 (CZTS) is a highly promising absorber material for efficient and low-cost solar cells. In a cost-effective method of production of high-quality CZTS, nanocrystals of precursor compounds, solved in an amine solution, are deposited on a substrate and sulfurized. Here, this can generally lead to considerable residual carbon in the final samples, in the form of separate amorphous layers as observed experimentally, but also incorporated in the CZTS matrix. In this study, preferred configurations, bonding characteristics, formation energies, and ionization levels of carbon-related defects in CZTS are calculated, including interstitials, single- and double-carbon antisites, and complexes of those with intrinsic defects. For different growth conditions of carbon, the set of dominant defects is determined, and the resulting total carbon concentrations are discussed with respect to experimental values.

36 MATERIALS SCIENCE↗
DOE OSTI2015

MO-D-213-08: Remote Dosimetric Credentialing for Clinical Trials with the Virtual EPID Standard Phantom Audit (VESPA)

Purpose: Report on implementation of a Virtual EPID Standard Phantom Audit (VESPA) for IMRT to support credentialing of facilities for clinical trials. Data is acquired by local facility staff and transferred electronically. Analysis is performed centrally. Methods: VESPA is based on published methods and a clinically established IMRT QA procedure, here extended to multi-vendor equipment. Facilities, provided with web-based comprehensive instructions and CT datasets, create IMRT treatment plans. They deliver the treatments directly to their EPID without phantom or couch in the beam. They also deliver a set of simple calibration fields. Collected EPID images are uploaded electronically. In the analysis, the dose is projected back into a virtual phantom and 3D gamma analysis is performed. 2D dose planes and linear dose profiles can be analysed when needed for clarification. Results: Pilot facilities covering a range of planning and delivery systems have performed data acquisition and upload successfully. Analysis showed agreement comparable to local experience with the method. Advantages of VESPA are (1) fast turnaround mainly driven by the facility’s capability to provide the requested EPID images, (2) the possibility for facilities performing the audit in parallel, as there is no need to wait for a phantom, (3) simple and efficient credentialing for international facilities, (4) a large set of data points, and (5) a reduced impact on resources and environment as there is no need to transport heavy phantoms or audit staff. Limitations of the current implementation of VESPA for trials credentialing are that it does not provide absolute dosimetry, therefore a Level 1 audit still required, and that it relies on correctly delivered open calibration fields, which are used for system calibration. Conclusion: The implemented EPID based IMRT audit system promises to dramatically improve credentialing efficiency for clinical trials and wider applications. VESPA for VMAT will follow soon.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

VERA Core Simulator methodology for pressurized water reactor cycle depletion

This paper describes the methodology developed and implemented in the Virtual Environment for Reactor Applications Core Simulator (VERA-CS) to perform high-fidelity, pressurized water reactor (PWR), multicycle, core physics calculations. Depletion of the core with pin-resolved power and nuclide detail is a significant advance in the state of the art for reactor analysis, providing the level of detail necessary to address the problems of the U.S. Department of Energy Nuclear Reactor Simulation Hub, the Consortium for Advanced Simulation of Light Water Reactors (CASL). VERA-CS has three main components: the neutronics solver MPACT, the thermal-hydraulic (T-H) solver COBRA-TF (CTF), and the nuclide transmutation solver ORIGEN. This paper focuses on MPACT and provides an overview of the resonance self-shielding methods, macroscopic-cross-section calculation, two-dimensional/one-dimensional (2-D/1-D) transport, nuclide depletion, T-H feedback, and other supporting methods representing a minimal set of the capabilities needed to simulate high-fidelity models of a commercial nuclear reactor. Results are presented from the simulation of a model of the first cycle of Watts Bar Unit 1. The simulation is within 16 parts per million boron (ppmB) reactivity for all state points compared to cycle measurements, with an average reactivity bias of <5 ppmB for the entire cycle. Comparisons to cycle 1 flux map data are also provided, and the average 2-D root-mean-square (rms) error during cycle 1 is 1.07%. To demonstrate the multicycle capability, a state point at beginning of cycle (BOC) 2 was also simulated and compared to plant data. The comparison of the cycle 2 BOC state has a reactivity difference of +3 ppmB from measurement, and the 2-D rms of the comparison in the flux maps is 1.77%. Lastly, these results provide confidence in VERA-CS’s capability to perform high-fidelity calculations for practical PWR reactor problems.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2014

Chemical Composition and PCT Data for the Initial Set of Hanford Enhanced Waste Loading Glasses

In this report, the Savannah River National Laboratory provides chemical analyses and Product Consistency Test results for 20 simulated high level waste glasses fabricated by the Pacific Northwest National Laboratory. The results of these analyses will be used as part of efforts to revise or extend the validation ranges of the current Hanford Waste Treatment and Immobilization Plant glass property models to cover a broader span of waste compositions. The measured chemical composition data are reported and compared with the targeted values for each component for each glass. Two components of the study glasses, fluorine and silver, were not measured since each of these species would have required the use of an additional preparation method and their measured values were likely to be near or below analytical detection limits. Some of the glasses were difficult to prepare for chemical analysis. A sodium peroxide fusion dissolution method was successful in completely dissolving the glasses. Components present in the glasses in minor concentrations can be difficult to measure using this dissolution method due to dilution requirements. The use of a lithium metaborate preparation method for the minor components (planned for use since it is typically successful in digesting Defense Waste Processing Facility HLW glasses) resulted in an unacceptable amount of undissolved solids remaining in the sample solutions. An acid dissolution method was used instead, which provided more thorough dissolution of the glasses, although a small amount of undissolved material remained for some of the study glasses. The undissolved material was analyzed to determine those components of the glasses that did not fully dissolve. These components (e.g., calcium and chromium) were present in sufficient quantities to be reported from the measurements resulting from the sodium peroxide fusion preparation method, which did not leave undissolved material. Overall, the analyses resulted in sums of oxides that ranged from about 98 to 101.5 wt % for the study glasses, indicating excellent recovery of all the components in the chemical composition analyses. Comparisons of the targeted and measured chemical compositions indicated that, in general, the measured values for the glasses met the targeted concentrations. Exceptions were Cr 2 O 3 , MgO, and P 2 O 5 . The measured values for Cr 2 O 3 were somewhat low when compared to the targeted values for all of the study glasses targeting Cr 2 O 3 concentrations above 0.5 wt %. Many of the measured MgO and P 2 O 5 values were below the targeted values for those glasses that contained these components. Two of the study glasses exhibited differences from the targeted compositions that may indicate a batching error. Glasses EWG-HAI-Centroid-2 and EWG-OL-1672 had measured values for Al 2 O 3 and SiO 2 that were lower than the targeted values, and measured values for B 2 O 3 that were higher than the targeted values. Glass EWG-HAI-Centroid-2 also had a measured value for Fe 2 O 3 that was lower than the targeted value. A review of the PCT data, including standards and blanks, revealed no issues with the performance of the tests. The PCT results were normalized to both the targeted and measured compositions of the study glasses. Comparisons of the normalized PCT results for both the quenched and Canister Centerline Cooled versions of the study glasses are made with the Environmental Assessment benchmark glass for reference.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Direct Feed High-Level Waste APPS Model Glass Testing (DFHLW APPS) Matrix

This report summarizes the data collected during the batching and melting of the Direct Feed High-Level Waste APPS Model Glass Matrix (DFHLW APPS) to serve as a quality-assured validation of the Aspen Process Performance Simulation (APPS) formulation method. Of 15 glasses tested, 12 satisfied all target property constraints. Two glasses, APPS-05 and -06, formed nepheline on canister centerline cooling heat-treatment and failed the Product Consistency Test response limits. Glass APPS-07-2 formed unacceptably high concentrations of crystals (primarily Na3Nd(PO4)2) when heat treated at 950 °C. All other glasses were found to be satisfactory. The measured property values were compared to predicted values from a set of current models. In many cases the current models were found to be inadequate for design of DFHLW glasses. These models are being adjusted to correct for mispredictions. Other models, e.g., density, toxicity characteristic leaching procedure, and sulfur solubility, are adequate for formulation of DFHLW glasses.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

An Effective Protocol for Proteome Analysis of Medaka (Oryzias latipes) after Acute Exposure to Ionizing Radiation

All terrestrial organisms are subject to evolutionary pressures associated with natural sources of ionizing radiation (IR). The legacy of human-induced IR associated with energy, weapons production, medicine, and research has changed the distribution and magnitude of these evolutionary pressures. To date, no study has systematically examined the effects of environmentally relevant doses of radiation exposure across an organismal proteome. This void in knowledge has been due, in part, to technological deficiencies that have hampered quantifiable environmentally relevant IR doses and sensitive detection of proteomic responses. Here, we describe a protocol that addresses both needs, combining quantifiable IR delivery with a reliable method to yield proteomic comparisons of control and irradiated Medaka fish. Exposures were conducted at the Savannah River Ecology Laboratory (SREL, in Aiken, SC), where fish were subsequently dissected into three tissue sets (carcasses, organs and intestines) and frozen until analysis. Tissue proteins were extracted, resolved by Sodium Dodecyl Sulfate-Polyacrylamide Gel Electrophoresis (SDS-PAGE), and each sample lane was divided into ten equal portions. Following in-gel tryptic digestion, peptides released from each gel portion were identified and quantified by Liquid Chromatography-Mass Spectrometry (LC-MS/MS) to obtain the most complete, comparative study to date of proteomic responses to environmentally relevant doses of IR. This method provides a simple approach for use in ongoing epidemiologic studies of chronic exposure to environmentally relevant levels of IR and should also serve well in physiological, developmental, and toxicological studies.

Pérez-Gélvez, Yeni (ORCID:0000000218120049)↗
DOE OSTI2020

Using Digital and Web-Based Platforms to Enhance Nuclear Power Plant Knowledge Transfer - 20203

As the workforce ages, the loss of experienced personnel can result in a loss of important knowledge. Updating Electric Power Research Institute (EPRI) research and guidance with the latest technology developments and operating experience is an important method to transfer knowledge between the retiring and incoming workforce. Studies suggest that the incoming workforce is accustomed to using digital and/or internet-based platforms to find information and may have a higher comfort with these types of platforms than they have with static, written reports. Additionally, the ease and speed of updating and delivering content through digital formats may offer an effective method for knowledge transfer and combining information from multiple reports into a single access point. EPRI has recently produced an online Decommissioning Hub available to members and is working on replicating the effort in the area of radioactive waste management called the Radwaste Web References. EPRI has extensive guidance in both disciplines. The Decommissioning Hub uses a wiki format to provide a platform that allows for both the updating of that guidance resulting from new research and new operating experiences, and combining related topical information from multiple reports. It also allows users to access the information based on key words and topical searches, and can be a tool for users to input experience to share with others. The Decommissioning Hub is accessed via a web-based portal and includes topical pages; experience summaries; a question and answer capability; and a smart search function of all EPRI decommissioning reports. Use of a wiki format allows users to input new experiences or modify existing experience summaries to add additional detail. EPRI moderates all content. The experience data base has been initially populated with information available in published EPRI reports and unpublished information currently available within EPRI. Moving forward, population of the database will continue with information available within the open literature, new information developed from current decommissioning projects, and user inputs. The web site became active in late 2017, and a major update will be issued in early 2020. Larger scale updates are planned biannually, and smaller-scale updates will occur continuously. Capturing and applying lessons learned from industry experiences is a hallmark of the global nuclear industry. This is even more important in the decommissioning technology area since very few plant staff have relevant experience and thus there is a steep learning curve. Moreover, decommissioning involves a number of complex, non-routine and specialized tasks. The web-accessible and searchable experience database provides an easy-to-use resource for capturing and disseminating practical experiences from completed and ongoing decommissioning projects. The EPRI Radwaste Web References will build upon the philosophy and objectives of the Radwaste Desk References that were published in the 1990's. The purpose of the original Radwaste Desk References was to provide nuclear power plant professionals with a how-to manual for managing radioactive waste. The Radwaste Web References will adopt this original purpose and will be a wiki type web site that provide fundamental practical and theoretical information, operating experience (OE), and information about advanced technologies and methods. As much as practicable, features that allow for interaction between users to share OE, best practices, and benchmarking will be added. Where they exist and are appropriate, the various EPRI Guidelines documents on radwaste topics will be updated and incorporated into the Radwaste Web References. The first Radwaste Web Reference will be on Low Level Waste Characterization and will build upon the EPRI Low Level Waste Characterization Guidelines (EPRI Report TR-107201, 1996) and will be available in 2020. The next Radwaste Web Reference will be on the topic of liquid radioactive waste processing and management, tentatively set for unveiling in 2021. This paper summarizes the EPRI's previous experiences with web-based platforms and future plans in this area. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Continual Learning for Production-Level Machine Learning in Particle Accelerators

Particle accelerators operate in complex environments where data distribution can change dynamically, leading to data drifts that significantly challenge Machine Learning (ML) models. These non-stationary conditions often cause ML models to deteriorate in performance, making it difficult to maintain reliable predictions in operation. The primary sources of data drifts are changes in accelerator settings and changes in equipment performance which cannot be measured directly. To bridge this gap between ML development and long-term deployment in operational settings, we identify key areas within particle accelerators where continual learning can help mitigate drift-induced performance degradation. We will provide a practical guide on selecting the appropriate method given resource constraints and desired stability plasticity trade offs. As a concrete example, we will present a real-world use case for anomaly detection to predict errant beams at the Spallation Neutron Source accelerator, where continual learning has been employed to demonstrate stable performance on drifting data streams. We will present practical challenges, lessons learned, and the results from the deployed ML model.

Rajput, Kishansingh [Thomas Jefferson National Acc↗
DOE OSTI2022

Operational Probabilistic Tools for Solar Uncertainty (OPTSUN) (Final Project Report for DOE Solar Forecasting II Project)

Increasing levels of solar PV can challenge system operations and may require novel methods to operate the power system reliably and efficiently. Power system operating plans generally use deterministic forecasts, in which the variable energy resources are represented by the expected value for each interval of the decision horizon. Probabilistic forecasts are relatively new but have the potential to address the shortfalls of deterministic forecasts. However, understanding how best to use such forecasts is still a key gap in industry and was the focus of this project. The project had three workstreams. In a forecasting workstream, improvements were made to baseline probabilistic forecasts using a number of new approaches such as machine learning methods and improved input data. In a design workstream, advanced simulation tools used these forecasts to investigate newly proposed reserve determination methods. Lastly, in a demonstration workstream a scheduling management platform (SMP) was developed to leverage probabilistic forecasts in a modular and customizable manner. In order to study the benefits that could be accrued, the project team collaborated with three utility partners (Duke Energy, Southern Company and Hawaiian Electric) to deliver improved probabilistic forecasts for each region and to model each region in case studies using advanced production cost modeling tools. Different methods to determine operating reserve requirements from probabilistic forecasts were developed, simulated, and tested across each region. The benefits of using these newly proposed methods varied by utility, but, in general, using probabilistic forecasts as well as historical data to set the reserve requirements seems to improve reliability related results, with less risk of reserve or supply shortfalls. The cost implications were not always straightforward; in some cases the new methods could show a reduction in expected operating costs, but often the increase in reserves associated with better risk mitigation using probabilistic forecasts could result in an increase in operating costs in the simulations. The SMP tool was developed to process probabilistic forecasts from their initial receipt through to scheduling decisions. This open-source tool consists of several modules for scenario development, reserve requirements calculation, and visualization. The SMP tool was demonstrated to a wide range of operators and stakeholders at all three utilities and further improved based on their feedback. The tool will be available on www.epri.com/optsun. The proposed probabilistic information-based reserve determination approaches have the potential to be implemented by different regions to ensure an economic and reliable power system operation on power systems integrating increasing levels of variable renewable resources. The innovative yet practical methods developed in this project demonstrated tangible benefits from using probabilistic forecasts beyond just study-based assessments to include three unique balancing areas. The demonstrated benefits across the multiple utility environments, are expected to provide system operators in all regions the confidence required and a platform to adopt the new forecasting and operating methods.

14 SOLAR ENERGY↗
DOE OSTI2025

Full event particle-level unfolding with variable-length latent variational diffusion

The measurements performed by particle physics experiments must account for the imperfect response of the detectors used to observe the interactions. One approach, unfolding, statistically adjusts the experimental data for detector effects. Recently, generative machine learning models have shown promise for performing unbinned unfolding in a high number of dimensions. However, all current generative approaches are limited to unfolding a fixed set of observables, making them unable to perform full-event unfolding in the variable dimensional environment of collider data. A novel modification to the variational latent diffusion model (VLD) approach to generative unfolding is presented, which allows for unfolding of high- and variable-dimensional feature spaces. The performance of this method is evaluated in the context of semi-leptonic t\bar{t} t t ‾ production at the Large Hadron Collider.

Shmakov, Alexander↗
DOE OSTI2018

Submarine exposure guideline recommendations for carbon dioxide based on the prenatal developmental effects of exposure in rats

Background To protect crewmember health, the U.S. Navy sets exposure limits for more than 200 components of submarine atmospheres. The addition of females to nuclear submarines required a reevaluation of these exposure limits, originally established for all‐male crews. In the case of carbon dioxide (CO 2 ), the only available data suitable for deriving an exposure limit were from a 2010 study sponsored by the British Royal Navy that reported a debatable interpretation casting doubt on whether current U.S. Navy exposure limits served to protect fetal developmental health. Methods About 120 time‐mated female Sprague–Dawley rats (Crl: CD[SD]) were exposed to CO 2 at levels of 1.5%, 2.0%, 2.5%, and 3.0% from gestation days 6 to 20. Dams were euthanized and fetuses were examined. Results Findings with implications for exposure limits for CO 2 during pregnancy were an increased mean litter proportion of early resorptions and a lower mean litter proportion of viable fetuses in the 3.0% CO 2 group. Conclusion The results yield a No Observed Adverse Effect Level (NOAEL) of 2.5% and a Lowest Observed Adverse Effect Level (LOAEL) of 3.0%. The results reasonably allow a point of departure of 2.5% CO 2 for deriving an exposure recommendation. An interspecies uncertainty factor was applied to derive a recommended 90‐day continuous exposure limit (CEL) of 0.8% for CO 2 . As reproductive endpoints that are developmental in nature must be assumed to result from a single exposure at a critical point during gestation, it is further recommended that the 24‐hr emergency exposure limit (EEL) also be 0.8%.

Howard, William R.↗
DOE OSTI2023

Topological structure of complex predictions

Abstract Current complex prediction models are the result of fitting deep neural networks, graph convolutional networks or transducers to a set of training data. A key challenge with these models is that they are highly parameterized, which makes describing and interpreting the prediction strategies difficult. We use topological data analysis to transform these complex prediction models into a simplified topological view of the prediction landscape. The result is a map of the predictions that enables inspection of the model results with more specificity than dimensionality-reduction methods such as tSNE and UMAP. The methods scale up to large datasets across different domains. We present a case study of a transformer-based model previously designed to predict expression levels of a piece of DNA in thousands of genomic tracks. When the model is used to study mutations in the BRCA1 gene, our topological analysis shows that it is sensitive to the location of a mutation and the exon structure of BRCA1 in ways that cannot be found with tools based on dimensionality reduction. Moreover, the topological framework offers multiple ways to inspect results, including an error estimate that is more accurate than model uncertainty. Further studies show how these ideas produce useful results in graph-based learning and image classification.

Computer Science↗