Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Prior distribution”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 271 records · Page 15

Hierarchical Inference with Bayesian Neural Networks: An Application to Strong Gravitational Lensing

In the past few years, approximate Bayesian Neural Networks (BNNs) have demonstrated the ability to produce statistically consistent posteriors on a wide range of inference problems at unprecedented speed and scale. However, any disconnect between training sets and the distribution of real-world objects can introduce bias when BNNs are applied to data. This is a common challenge in astrophysics and cosmology, where the unknown distribution of objects in our universe is often the science goal. In this work, we incorporate BNNs with flexible posterior parameterizations into a hierarchical inference framework that allows for the reconstruction of population hyperparameters and removes the bias introduced by the training distribution. We focus on the challenge of producing posterior PDFs for strong gravitational lens mass model parameters given Hubble Space Telescope–quality single-filter, lens-subtracted, synthetic imaging data. We show that the posterior PDFs are sufficiently accurate (statistically consistent with the truth) across a wide variety of power-law elliptical lens mass distributions. We then apply our approach to test data sets whose lens parameters are drawn from distributions that are drastically different from the training set. We show that our hierarchical inference framework mitigates the bias introduced by an unrepresentative training set's interim prior. Simultaneously, we can precisely reconstruct the population hyperparameters governing our test distributions. Our full pipeline, from training to hierarchical inference on thousands of lenses, can be run in a day. The framework presented here will allow us to efficiently exploit the full constraining power of future ground- and space-based surveys (https://github.com/swagnercarena/ovejero).

79 ASTRONOMY AND ASTROPHYSICS↗

Cluster Dynamics Simulations of Intra-Granular Fission Gas Bubble Size and Pressure Evolution in UO 2

Fission gases such as xenon (Xe) play a critical role in determining the behavior and response of nuclear fuel. Given that Xe has little solubility in UO 2 , it accumulates and forms bubbles, which significantly impact fuel performance. Intra- and inter-granular bubble nucleation and growth can lead to fuel swelling, and once bubbles interconnect at grain boundaries, fission gas can be released into the plenum. At low temperatures, limited uranium vacancy mobility can restrict swelling, therefore causing the bubbles to become highly pressurized. Consequently, this can induce micro-cracking, promote fission gas release (increasing the likelihood of cladding failure), and even lead to fuel pulverization under accident conditions such as a loss of coolant accident. As bubble evolution is strongly influenced by local temperature and fission rate, markedly different behavior occurs across the radial profile of the fuel pellet. Capturing the mechanisms that underpin bubble evolution is therefore important to predict these behaviors in the fuel. Previous models describing important mechanisms informed by lower length scale simulations have been developed under the NEAMS program. These can describe the evolution of a single bubble type (i.e., single value for radius and pressure) at each position in the pellet, for instance using the Centipede cluster dynamic code. However, in reality, a full distribution in bubble sizes and pressures exists within the microstructure at a given position in the pellet. To address this the cluster dynamics code Xolotl, which can predict Xe and vacancy phase space (i.e., bubble distributions) for intra-granular bubbles, has been used before. Prior work benchmarked the Xolotl code against the Centipede cluster dynamics code to ensure compatibility and to verify that mobile defect properties are adequately transferred between the two codes, along with some physics improvements. In this work, we go further by introducing a physics-based set of improvements that will allow us to accurately predict bubble size distributions and internal bubble pressures under representative UO 2 irradiation conditions. The improvements include (i) coupling bubble-defect reaction energies to a virial equation of state (EOS), (ii) including a bubble surface tension contribution, (iii) incorporating radiation-induced re-solution of Xe and vacancies, (iv) enabling pressure-driven dislocation loop punching through an effective emission of interstitial clusters informed by interstitial loop energetics, (v) accounting for radiation induced athermal diffusion of Xe, and (vi) implementing a Booth-type grain boundary sink representation for all mobile defects and defect clusters. After these modifications, we observe good agreement of Xolotl fission gas bubble size and concentration predictions with legacy experimental measurements. Additionally, it allows the distribution of Xe bubble pressures and radius to also be predicted and compared to data produced through the Advanced Fuels Campaign (AFC) program. Here, we have done this by running simulations under conditions similar to the AFC post-irradiation examination (PIE) samples irradiated at North Anna 2 light water reactor (LWR). Our results shows excellent agreement with these experimental measurements.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Investigating intermolecular interactions among CO 2 , water and PEEK-ionene membrane using cryo ToF-SIMS and isotopic labeling

Cryogenic time-of-flight secondary ion mass spectrometry (cryo ToF-SIMS) has emerged as a powerful tool for investigating molecular interactions, speciation, and dynamics in materials for CO 2 capture. In this study, we apply cryo ToF-SIMS to probe interactions between CO 2 , water, and PEEK-ionene membranes—a promising material for direct CO 2 capture due to its selectivity, durability, and efficiency. Despite this potential, the mechanisms governing CO 2 diffusion and the influence of water vapor on CO 2 behavior remain unclear. To address this, we loaded PEEK-ionene membranes with 13 CO 2 and D 2 O and employed cryo ToF-SIMS to visualize the 3D distribution of CO 2 and water within the membrane. While prior studies suggest that 13 CO 2 is absorbed under ambient conditions, our cryo ToF-SIMS analysis revealed no enhancement of the 13 C/ 12 C ratio, suggesting weak CO 2 -membrane interactions. As a result, CO 2 vaporizes even at low temperatures (−140°C) under vacuum conditions. In contrast, D 2 O displayed a relatively homogeneous distribution in the membrane, suggesting stronger water-membrane interactions via hydrogen bonding (18–20 kJ/mol). Interestingly, CO 2 was not detected in D 2 O-loaded membranes, indicating minimal interference from water vapor on CO 2 diffusion. As a comparison, the cryo ToF-SIMS data show that 13 CO 2 can readily react with a basic Na 2 CO 3 aqueous solution to form NaH 13 CO 3 . These findings demonstrate cryo ToF-SIMS as a critical technique for understanding gas-water-membrane interactions, offering insights for membrane functionalization to improve CO 2 capture efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pacific Northwest National Laboratory Regional Populations – 2020 Census: Richland Campus and Sequim Campus

The U.S. Department of Energy conducts radiological operations in south-central (Richland) and northwestern (Sequim) Washington State. Collective dose estimates to regional populations must be performed to provide a measure of the impact from site radiological releases. Results of the U.S. 2020 Census and, for the Sequim location only, the Canada 2021 Census, were used to determine counts and distributions for the residential population located within 50 miles (80 kilometers) of the Pacific Northwest National Laboratory Richland Campus and the Sequim Campus. Since the 2010 Census, total regional populations increased 25–40 percent. This revision updates and expands the data presented in the prior report by the addition of PNNL-Richland Campus population distribution information.

2020 census↗

HIFiRE Direct-Connect Rig (HDCR) Phase I Scramjet Test Results from the NASA Langley Arc-Heated Scramjet Test Facility

A series of hydrocarbon-fueled direct-connect scramjet ground tests has been completed in the NASA Langley Arc-Heated Scramjet Test Facility (AHSTF) at simulated Mach 8 flight conditions. These experiments were part of an initial test phase to support Flight 2 of the Hypersonic International Flight Research Experimentation (HIFiRE) Program. In this flight experiment, a hydrocarbon-fueled scramjet is intended to demonstrate transition from dual-mode to scramjet-mode operation and verify the scramjet performance prediction and design tools A performance goal is the achievement of a combusted fuel equivalence ratio greater than 0.7 while in scramjet mode. The ground test rig, designated the HIFiRE Direct Connect Rig (HDCR), is a full-scale, heat sink test article that duplicates both the flowpath lines and a majority of the instrumentation layout of the isolator and combustor portion of the flight test hardware. The primary objectives of the HDCR Phase I tests were to verify the operability of the HIFiRE isolator/combustor across the simulated Mach 6-8 flight regime and to establish a fuel distribution schedule to ensure a successful mode transition. Both of these objectives were achieved prior to the HiFIRE Flight 2 payload Critical Design Review. Mach 8 ground test results are presented in this report, including flowpath surface pressure distributions that demonstrate the operation of the flowpath in scramjet-mode over a small range of test conditions around the nominal Mach 8 simulation, as well as over a range of fuel equivalence ratios. Flowpath analysis using ground test data is presented elsewhere; however, limited comparisons with analytical predictions suggest that both scramjet-mode operation and the combustion performance objective are achieved at Mach 8 conditions.

Cabell, Karen↗

Experimental Investigation of Distributed Sand-Grain Roughness Effects on Transition Onset and Turbulent Heating at Mach 6

An experimental investigation of distributed sand-grain surface roughness effects on hypersonic boundary-layer transition and turbulent heating has been performed. Two representative entry vehicle geometries, a sphere-cone aeroshell and a spherical-cap aeroshell, were considered. Cast ceramic models of each geometry were fabricated with distributed sand-grain roughness patterns of different heights that simulated an ablated thermal protection system. Wind tunnel testing was performed at Mach 6 over a range of Reynolds numbers sufficient to produce laminar, transitional, and turbulent flow. Aeroheating and boundary-layer transition onset data were obtained using global phosphor thermography. The experimental heating data are presented herein, as are comparisons to laminar and turbulent smooth-wall heat transfer distributions from computational flow field simulations. The boundary-layer transition data were found to correlate with a functional representation developed in prior roughness studies, although the data scatter was greater owing to the height variability of distributed sand-grain roughness.

Brian R Hollis↗

Redshift inference from the combination of galaxy colours and clustering in a hierarchical Bayesian model – Application to realistic N -body simulations

ABSTRACT Photometric galaxy surveys constitute a powerful cosmological probe but rely on the accurate characterization of their redshift distributions using only broad-band imaging, and can be very sensitive to incomplete or biased priors used for redshift calibration. A hierarchical Bayesian model has recently been developed to estimate those from the robust combination of prior information, photometry of single galaxies, and the information contained in the galaxy clustering against a well-characterized tracer population. In this work, we extend the method so that it can be applied to real data, developing some necessary new extensions to it, especially in the treatment of galaxy clustering information, and we test it on realistic simulations. After marginalizing over the mapping between the clustering estimator and the actual density distribution of the sample galaxies, and using prior information from a small patch of the survey, we find the incorporation of clustering information with photo-z’s tightens the redshift posteriors and overcomes biases in the prior that mimic those happening in spectroscopic samples. The method presented here uses all the information at hand to reduce prior biases and incompleteness. Even in cases where we artificially bias the spectroscopic sample to induce a shift in mean redshift of $\Delta \bar{z} \approx 0.05,$ the final biases in the posterior are $\Delta \bar{z} \lesssim 0.003.$ This robustness to flaws in the redshift prior or training samples would constitute a milestone for the control of redshift systematic uncertainties in future weak lensing analyses.

79 ASTRONOMY AND ASTROPHYSICS↗

Layered CAD/CSG geometry for spatially complex radiation transport scenarios

Many spatially complex fission, fusion, and national security Monte Carlo (MC) radiation transport scenarios involve combining computer-aided design (CAD) models with constructive solid geometry (CSG) models. A layered geometry method has been implemented in the Shift MC code to address this need. With layered geometry, multiple CAD and/or CSG models can be clipped, translated, rotated, and placed in overlapping layers to form transport-ready geometries. Here, the utility of this method is demonstrated with two problems: (1) a fixed-source simulation with a layered geometry consisting of a LiDAR-generated CAD model of the Combined Arms Collective Training Facility urban environment overlaid with CSG models of a mock hotel and a detector apparatus, and (2) a k-eigenvalue calculation using a layered geometry model of the Transformational Challenge Reactor consisting of CAD fuel elements placed in a CSG core. Tallied particle flux distributions match expectations, but tracking robustness must be improved prior to general-purpose use.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Atikokan Digital Twin: Machine learning in a biomass energy system

The Atikokan Generating Station, operated by Ontario Power Generation, has a 200 MW, biomass-fired tower boiler that operates on a dispatch schedule with a five-minute cycle. The boiler is generally operated in the range of 40–100 MW using two of five burner levels. In order to optimize boiler performance, we propose the implementation of a unique digital twin. Our digital twin abstraction couples Bayesian inference from science-based models and from observations (machine learning) with decision theory to predict operating-variable set points that optimize the physical asset (the boiler) in the presence of uncertainty (artificial intelligence). We focus this paper on the continuous Bayesian machine learning part of the Atikokan Digital Twin; we discuss decision theory in a companion paper. We identify and learn about 12 operational, model, and measured-output parameters and their uncertainties from high-fidelity, science-based simulations of the Atikokan boiler and from the observed measurements at the power plant. Since the goal of the Atikokan Digital Twin is to implement it online in real time, we require fast function evaluations for the quantities of interest extracted from the simulations in the Bayesian analysis. We use Gaussian process regression/interpolation to create accurate, robust surrogate models. We define the Bayesian priors and likelihood function and solve for the posterior distributions of the 12 parameters. Here we then propagate these distributions (i.e., parameters with uncertainty) into the predicted distributions of 790 quantities of interest to learn about the relative importance of various sources of error including experimental, model, and operating-parameter errors.

09 BIOMASS FUELS↗

A deep generative model enables automated structure elucidation of novel psychoactive substances

Over the past decade, the illicit drug market has been reshaped by the proliferation of clandestinely produced designer drugs. These agents, referred to as new psychoactive substances (NPSs), are designed to mimic the physiological actions of better-known drugs of abuse while skirting drug control laws. The public health burden of NPS abuse obliges toxicological, police and customs laboratories to screen for them in law enforcement seizures and biological samples. However, the identification of emerging NPSs is challenging due to the chemical diversity of these substances and the fleeting nature of their appearance on the illicit market. Here, in this study, we present DarkNPS, a deep learning-enabled approach to automatically elucidate the structures of unidentified designer drugs using only mass spectrometric data. Our method employs a deep generative model to learn a statistical probability distribution over unobserved structures, which we term the structural prior. We show that the structural prior allows DarkNPS to elucidate the exact chemical structure of an unidentified NPS with an accuracy of 51% and a top-10 accuracy of 86%. Our generative approach has the potential to enable de novo structure elucidation for other types of small molecules that are routinely analysed by mass spectrometry.

Cheminformatics↗

ORNL Peer Review Summary and Recommendations for: Advanced Reactor Designs Security Analysis, Risk, and Recommendations: Risks, Consequences, and Possible Design Mitigation Approaches Associated with Select Advanced Reactors Study

The purpose of this document is to provide a summary of the peer review conducted for the "Advanced Reactor Designs Security Analysis, Risk, and Recommendations: Risks, Consequences, and Possible Design Mitigation Approaches Associated with Select Advanced Reactors" study prepared by researchers at Idaho National Laboratory (INL), Argonne National Laboratory (ANL), and Oak Ridge National Laboratory (ORNL). The National Nuclear Security Administration (NNSA) International Nuclear Security (INS) program team requested that ORNL perform a peer review of the study report prior to publication as a final peer check before distributing the report to a broader audience.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Active Seismoelectric Monitoring of CO 2 Injection

Conference presentation at Carbon Capture, Utilization, and Storage (CCUS) Conference 2024, Houston, Texas, March 11–13, 2024. We investigated the use of active seismoelectric monitoring (ASE) to determine its effectiveness in detecting CO 2 injected deep underground and as an additional monitoring option for carbon storage projects. The EERC performed an ASE survey in February of 2023 at Pennel oil field near Baker, Montana, as part of the U.S. Department of Energy-sponsored Williston Basin CO 2 Field Laboratory in conjunction with operating partner Denbury Inc. The field site is part of the Cedar Creek Anticline geologic structure, with CO 2 planned for injection into a stacked storage complex (SSC) in the Interlake Formation containing both a residual oil zone and a conventional reservoir. The objective was to test the ASE method’s ability to characterize baseline fluid distribution in both the near surface and the SSC prior to CO 2 injection.

04 OIL SHALES AND TAR SANDS↗

Threat Hunt Guide for BESS Environments

The rapid digitalization of the electric grid - driven by the integration of inverter-based resources (IBRs), battery energy storage systems (BESS), and advanced grid control platforms - has significantly enhanced grid efficiency, visibility, and flexibility. However, this evolution also introduces new cybersecurity risks, particularly through supply chain dependencies and operational blind spots at the grid edge. To address these challenges, Idaho National Laboratory (INL), through the Department of Energy (DOE) Office of Cybersecurity, Energy Security, and Emergency Response (CESER) Rapid Risk initiative, conducted a series of rapid risk assessment engagements with energy organizations across the United States. Drawing on lessons learned from these engagements, INL developed the following threat hunting guide for asset owners and operators (AOOs) to enhance their cybersecurity visibility within BESS and IBR systems. The guide demonstrates how to use passive network monitoring to baseline device behavior, detect adversarial activity, and investigate anomalies without disrupting operations. By implementing these practices, energy sector stakeholders can improve coordination between cybersecurity and operations teams and strengthen the resilience of distributed energy resources (DERs) within the modern power grid. Prior to implementing any network monitoring, packet capture, or threat hunting activity described in this guide, AOOs are strongly advised to review applicable governance frameworks, legal requirements, and organizational policies. This guide is intended for informational and educational purposes only. It does not replace compliance with any federal, state, or local cybersecurity mandates or industry standards. Implementation of described configurations, technologies, or analytic workflows is performed at the discretion and responsibility of the asset owner and operator.

25 - ENERGY STORAGE↗

Data-Driven Software Framework for Web-Based ISS Telescience

Software that enables authorized users to monitor and control scientific payloads aboard the International Space Station (ISS) from diverse terrestrial locations equipped with Internet connections is undergoing development. This software reflects a data-driven approach to distributed operations. A Web-based software framework leverages prior developments in Java and Extensible Markup Language (XML) to create portable code and portable data, to which one can gain access via Web-browser software on almost any common computer. Open-source software is used extensively to minimize cost; the framework also accommodates enterprise-class server software to satisfy needs for high performance and security. To accommodate the diversity of ISS experiments and users, the framework emphasizes openness and extensibility. Users can take advantage of available viewer software to create their own client programs according to their particular preferences, and can upload these programs for custom processing of data, generation of views, and planning of experiments. The same software system, possibly augmented with a subset of data and additional software tools, could be used for public outreach by enabling public users to replay telescience experiments, conduct their experiments with simulated payloads, and create their own client programs and other custom software.

Tso, Kam S.↗

Miniature Laboratory for Detecting Sparse Biomolecules

A miniature laboratory system has been proposed for use in the field to detect sparsely distributed biomolecules. By emphasizing concentration and sorting of specimens prior to detection, the underlying system concept would make it possible to attain high detection sensitivities without the need to develop ever more sensitive biosensors. The original purpose of the proposal is to aid the search for signs of life on a remote planet by enabling the detection of specimens as sparse as a few molecules or microbes in a large amount of soil, dust, rocks, water/ice, or other raw sample material. Some version of the system could prove useful on Earth for remote sensing of biological contamination, including agents of biological warfare. Processing in this system would begin with dissolution of the raw sample material in a sample-separation vessel. The solution in the vessel would contain floating microscopic magnetic beads coated with substances that could engage in chemical reactions with various target functional groups that are parts of target molecules. The chemical reactions would cause the targeted molecules to be captured on the surfaces of the beads. By use of a controlled magnetic field, the beads would be concentrated in a specified location in the vessel. Once the beads were thus concentrated, the rest of the solution would be discarded. This procedure would obviate the filtration steps and thereby also eliminate the filter-clogging difficulties of typical prior sample-concentration schemes. For ferrous dust/soil samples, the dissolution would be done first in a separate vessel before the solution is transferred to the microbead-containing vessel.

Lin, Ying↗

Investigations of Air-Cooled Turbine Rotors for Turbojet Engines. 1: Experimental Disk Temperature Distribution in Modified J33 Split-Disk Rotor at Speeds up to 6000 RPM

An experimental investigation is being conducted at the Lewis laboratory to establish general principles for the design of noncritical turbine rotor configurations. This investigation includes evaluation of cooling effectiveness, structural stability, cooling-air flow distribution characteristics, and methods of supplying cooling air to the turbine rotor blades. Prior to design of a noncritical rotor, a standard turbine rotor of a commerical turbojet engine was split in the plane of rotation and machined to provide a passage for distributing cooling air to the base of each blade. The rotor was fitted with nontwisted, hollow, aircooled blades containing nine tubes in the coolant passage. In the investigation reported herein, the modified turbine rotor operated successfully up to speeds of 6000 rpm with ratios of cooling-air to combustion-gas flow as low as 0.02. The disk temperatures observed at these conditions were below 450 0 F when cooling air at 100 F was used from the laboratory air system. The calculated disk temperatures based on the correlation method presented for rated engine conditions were well below 1000 F at a cooling-air flow ratio of 0.02, which is considered adequate for a noncritical rotor. An appreciable difference in temperature level existed between the forward and rear disks. This temperature difference probably introduced undesirable disk stress distributions as a result of the relative elongations of the two disks. This investigation was terminated at 6000 rpm so that slight changes in the engine configuration could be made to relieve this condition.

Schramm, Wilson B.↗

Extreme Decentralized Water Treatment: Exploring the Future of Premise-Scale Water Treatment and Reuse

Access to an adequate quantity of piped water and management of wastewater produced in homes and businesses is an expectation of city dwellers in wealthy countries, and an aspiration for many people living in rapidly developing cities in low- and middle-income countries. It is also crucial to public health and protection of the environment. For well over a century, municipal drinking water provision and wastewater management have been made possible by large investments in centralized systems in which fresh water passes through a small number of drinking water treatment plants before being distributed through a vast underground pipe network to buildings throughout the city (Sedlak 2014). After it is used, wastewater is collected in underground sewers that route it to treatment plants prior to its discharge to the environment. In some water-stressed cities, a fraction of the treated wastewater undergoes additional treatment prior to reuse. This recycled water often is returned to users through another dedicated water distribution system, which is designated in many places with purple pipes (non-potable water reuse). Alternatively, treated wastewater may be subjected to advanced treatment (e.g., reverse osmosis followed by advanced oxidation) prior to being returned to the drinking water supply (potable water reuse).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗