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At least 1,063 records · Page 59

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DOE OSTI2022

Hanford Site Composite Analysis: LLBG-200-W B Vadose Zone Model

The objectives of the vadose modeling for the updated Hanford Site Composite Analysis (CA) are to simulate the flow and transport of water and radionuclide releases from the surface to the water table and to provide radionuclide transfer rates to the CA saturated zone model (CP-57037, Model Package Report: Plateau to River Groundwater Model, Version 8.3). Water additions include natural recharge and water discharged to the ground as a result of industrial processes associated with Hanford Site operations. Contaminant sources include radionuclides in water discharged to the ground during operations and radionuclides disposed “dry” in solid waste burial grounds or other means. The following 16 radionuclides were selected for this modeling effort: carbon-14 (C-14), chlorine-36 (Cl-36), tritium (H-3), iodine-129 (I-129), neptunium-237 (Np-237), rhenium-187 (Re-187), strontium-90 (Sr-90), technetium-99 (Tc-99), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), uranium-238 (U-238), radium-226 (Ra-226), and thorium-230 (Th-230). The simulation time starts in 1943 and ends at 12070, which is 10,000 years after assumed Hanford Site closure in 2070. The parallel version of the Subsurface Transport Over Multiple Phases (STOMP 1 ) simulator, officially named the exascale Subsurface Transport Over Multiple Phases (eSTOMP), is used to simulate flow and transport for the vadose models. The documentation for the STOMP code is comprehensive. The theoretical and numerical approaches applied in the STOMP code are documented in a published theory guide (PNNL-12030, STOMP Subsurface Transport Over Multiple Phases Version 2.0 Theory Guide). The code has undergone a rigorous verification procedure against analytical solutions, laboratory-scale experiments, and field-scale demonstrations. The application guide (PNNL-11216, STOMP Subsurface Transport Over Multiple Phases Application Guide) provides instructive examples in the application of the code to classical groundwater problems. The user’s guide (PNNL-15782, STOMP: Subsurface Transport Over Multiple Phases Version 4.0: User’s Guide) describes the general use, input file formatting, compilation, and execution of the code. The primary output of the vadose zone modeling is radionuclide transfer rates to the groundwater for input into the saturated zone model. The rates will be summed over the 100 by 100 m saturated zone model grid cells that fall within the vadose zone model source domain.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Vadose Zone Model for B-63 Area for Composite Analysis (Rev. 1)

The objectives of the vadose modeling for the updated Hanford Site composite analysis (CA) are to simulate the flow and transport of water and radionuclide releases from the surface to the water table and to provide radionuclide transfer rates for the plateau to river (P2R) model, version 8.3 (CP-57037, Model Package Report: Plateau to River Groundwater Model, Version 8.3). Water additions include natural recharge and water discharged to the ground as a result of industrial processes associated with Hanford Site operations. Contaminant sources include radionuclides in water discharged to the ground during operations and radionuclides disposed “dry” in solid waste burial grounds or other means. The following 16 radionuclides were selected for this modeling effort; carbon-14 (C-14), chlorine-36 (Cl-36), tritium (H-3), iodine-129 (I-129), neptunium-237 (Np-237), rhenium-187 (Re-187), strontium-90 (Sr-90), technetium-99 (Tc-99), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), uranium-238 (U-238), radium-226 (Ra-226), and thorium-230 (Th-230). The simulation time starts in 1943 and ends at 12070, which is 10,000 years after assumed Hanford Site closure in 2070.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Vadose Zone Model for LLBG-200W A for Composite Analysis

The objectives of the vadose modeling for the updated Hanford Site composite analysis (CA) are to simulate the flow and transport of water and radionuclide releases from the surface to the water table and to provide radionuclide transfer rates for the plateau to river (P2R) model, version 8.3 (CP-57037, Model Package Report: Plateau to River Groundwater Model, Version 8.3). Water additions include natural recharge and water discharged to the ground as a result of industrial processes associated with Hanford Site operations. Contaminant sources include radionuclides in water discharged to the ground during operations and radionuclides disposed “dry” in solid waste burial grounds or other means. The following 16 radionuclides were selected for this modeling effort: carbon-14 (C-14), chlorine-36 (Cl-36), tritium (H-3), iodine-129 (I-129), neptunium-237 (Np-237), rhenium-187 (Re-187), strontium-90 (Sr-90), technetium-99 (Tc-99), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), uranium-238 (U-238), radium-226 (Ra-226), and thorium-230 (Th-230). The simulation time starts in 1943 and ends at 12070, which is 10,000 years after assumed Hanford Site closure in 2070.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Vadose Zone Model for LLBG-200W A for Composite Analysis

The objectives of the vadose modeling for the updated Hanford Site composite analysis (CA) are to simulate the flow and transport of water and radionuclide releases from the surface to the water table and to provide radionuclide transfer rates for the plateau to river (P2R) model, version 8.3 (CP-57037, Model Package Report: Plateau to River Groundwater Model, Version 8.3). Water additions include natural recharge and water discharged to the ground as a results of industrial processes associated with Hanford Site operations. Contaminant sources include radionuclides in water discharged to the ground during operations and radionuclides disposed "dry" in solid waste burial grounds or other means. The following 16 radionuclides were selected for this modeling effort: carbon-14 (C-14), chlorine-36 (Cl-36), tritium (H-3), iodine-129 (I-129), neptunium-237 (Np-237), rhenium-187 (Re-187), strontium-90 (Sr-90), technetium-99 (tc-99), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), uranium-238 (U-238), radium-226 (Ra-226), and thorium-230 (Th-230). The simulation time starts in 1943 and ends at 12070, which is 10,000 years after assumed Hanford Site closure in 2070.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Vadose Zone Model for B-63 Area for Composite Analysis (Rev. 2)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS2007

Effective Inflow Conditions for Turbulence Models in Aerodynamic Calculations

The selection of inflow values at boundaries far upstream of an aircraft is considered, for one- and two-equation turbulence models. Inflow values are distinguished from the ambient values near the aircraft, which may be much smaller. Ambient values should be selected first, and inflow values that will lead to them after the decay second; this is not always possible, especially for the time scale. The two-equation decay during the approach to the aircraft is shown; often, the time scale has been set too short for this decay to be calculated accurately on typical grids. A simple remedy for both issues is to impose floor values for the turbulence variables, outside the viscous sublayer, and it is argued that overriding the equations in this manner is physically justified. Selecting laminar ambient values is easy, if the boundary layers are to be tripped, but a more common practice is to seek ambient values that will cause immediate transition in boundary layers. This opens up a wide range of values, and selection criteria are discussed. The turbulent Reynolds number, or ratio of eddy viscosity to laminar viscosity has a huge dynamic range that makes it unwieldy; it has been widely mis-used, particularly by codes that set upper limits on it. The value of turbulent kinetic energy in a wind tunnel or the atmosphere is also of dubious value as an input to the model. Concretely, the ambient eddy viscosity must be small enough to preserve potential cores in small geometry features, such as flap gaps. The ambient frequency scale should also be small enough, compared with shear rates in the boundary layer. Specific values are recommended and demonstrated for airfoil flows

Spalart, Philippe R.↗

DOE OSTI2021

Winter roosting ecology of tricolored bats ( Perimyotis subflavus ) in trees and bridges

Abstract Tricolored bats (Perimyotis subflavus) that roost in subterranean hibernacula have experienced precipitous declines from white-nose syndrome (WNS); however, understudied populations also use during winter non-subterranean roosts such as tree cavities, bridges, and foliage. Our objectives were to determine winter roost use by tricolored bats in an area devoid of subterranean roosts, determine roost microclimates to relate them to growth requirements of the fungal causal agent of WNS, and determine habitat factors influencing winter tree selection. From November to March 2017–2019, we used radiotelemetry to track 15 bats to their day roosts in the upper Coastal Plain of South Carolina and recorded microclimates in accessible tree cavities and bridges. We also characterized habitat and tree characteristics of 24 used trees and 153 random, available trees and used discrete choice models to determine selection. Roost structures included I-beam bridges, cavities in live trees, and foliage. Bridges were warmer and less humid than cavities. Roost temperatures often were amenable to fungal growth (< 19.5°C) but fluctuated widely depending on ambient temperatures. Bats used bridges on colder days (8.7°C ± 5.0 SD) and trees on warmer days (11.3°C ± 5.4). Bats selected low-decay trees closer to streams in areas with high canopy closure and cavity abundance. Bats also appeared to favor hardwood forests and avoid pine forests. Our results suggest that access to multiple roost microclimates might be important for tricolored bats during winter, and forest management practices that retain live trees near streams and foster cavity formation in hardwood forests likely will benefit this species. Our results also suggest tricolored bats using bridge and tree roosts might be less susceptible to WNS than bats using subterranean hibernaculum roosts. Thus, forests in areas without subterranean hibernacula in the southeastern United States that support bats during winter might represent important refugia from WNS for multiple species.

Zoology↗

NASA NTRS2004

Torque Balances on the Taylor Cylinders in the Geomagnetic Data Assimilation

In this presentation we report on our continuing effort in geomagnetic data assimilation, aiming at understanding and predicting geomagnetic secular variation on decadal time scales. In particular, we focus on the effect of the torque balances on the cylindrical surfaces in the core co-axial with the Earth's rotation axis (the Taylor cylinders) on the time evolution of assimilated solutions. We use our MoSST core dynamics,model and observed geomagnetic field at the Earth's surface derived via Comprehensive Field Model (CFM) for the geomagnetic data assimilation. In our earlier studies, a model solution is selected randomly from our numerical database. It is then assimilated with the observations such that the poloidal field possesses the same field tomography on the core-mantel boundary (CMB) continued downward from surface observations. This tomography change is assumed to be effective through out the outer core. While this approach allows rapid convergence between model solutions and the observations, it also generates sevee numerical instabilities: the delicate balance between weak fluid inertia and the magnetic torques on the Taylor cylinders are completely altered. Consequently, the assimilated solution diverges quickly (in approximately 10% of the magnetic free-decay time in the core). To improve the assimilation, we propose a partial penetration of the assimilation from the CMB: The full-scale modification at the CMB decreases linearly and vanish at an interior radius r(sub a). We shall examine from our assimilation tests possible relationships between the convergence rate of the model solutions to observations and the cut-off radius r(sub a). A better assimilation shall serve our nudging tests in near future.

Kuang, Weijia↗

DOE OSTI2020

A Time Series Sustainability Assessment of a Partial Energy Portfolio Transition

Energy portfolios are overwhelmingly dependent on fossil fuel resources that perpetuate the consequences associated with climate change. Therefore, it is imperative to transition to more renewable alternatives to limit further harm to the environment. This study presents a univariate time series prediction model that evaluates sustainability outcomes of partial energy transitions. Future electricity generation at the state-level is predicted using exponential smoothing and autoregressive integrated moving average (ARIMA). The best prediction results are then used as an input for a sustainability assessment of a proposed transition by calculating carbon, water, land, and cost footprints. Missouri, USA was selected as a model testbed due to its dependence on coal. Of the time series methods, ARIMA exhibited the best performance and was used to predict annual electricity generation over a 10-year period. The proposed transition consisted of a one-percent annual decrease of coal’s portfolio share to be replaced with an equal share of solar and wind supply. The sustainability outcomes of the transition demonstrate decreases in carbon and water footprints but increases in land and cost footprints. Decision makers can use the results presented here to better inform strategic provisioning of critical resources in the context of proposed energy transitions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS2022

Assurance Equations: A Cost and Criticality Model for Optimizing Quality Assurance Surveillance

The cost of quality vs cost of failure correction has been a long-running topic of discussion within the Aerospace community. It leads directly to concepts of “risk tolerance”, and risk-based decision-making. It would be valuable if there was a way to compute the optimal investment in customer-executed quality assurance activities using defect significance with respect to performance objectives, the activities’ defect detection effectiveness, and the cost-penalty for late discovery of impactful defects. This optimization is particularly of interest to projects whose budget constraints significantly limit their risk management options.The cost to fix defects (i.e., failure correction) escalates as the project matures. There have been studies attempting to determine the relative cost of fixing defects discovered during various phases of a project life cycle with important implications, all of which suggest growth factors are large. The commonly referred to 1:10:100 rule represents a cost multiplier for repair/rework across the Design to Fab to Test hardware development phases. Cost premiums for QA activities also accumulate when they are treated as mandatory (due to schedule drag) or are performed later than their assigned phase.This paper describes the modeling of development phase -dependencies in the conduct of typical customer-executed quality assurance activities. Our initial modeling encompasses:• Distinct phases of the production lifecycle• Multiple kinds of Defects, each with some a-priori likelihood of being present• Each defect’s impact on performance Objectives for a type of hardware• The cost and efficacy of assurance techniques at detecting such Defects• The costs of fixing those Defects detected in a given phase of the production lifecycleThe model captures assurance activities’ abilities to Detect defects. Upon detection it is assumed that the Defect is immediately fixed. Defects that “escape” detection by some activity may thereafter be detected by a later activity, but by then the cost of fixing the Defect may have escalated. Defects are related to the performance Objectives they would detract from, were those Defects to remain present in the operating system.We have constructed and are exploring, a model that relates the importance of hardware system elements to mission objectives, the impact of types of Defects on those hardware types, the cost of customer-executed assurance activities (i.e., supplier controls) and their effectiveness towards reducing an impactful quality escape, and the cost of Defect correction across production phase. We describe the approach taken to select the key model aspects, why they are relevant to our NASA mission, and our efforts to populate it with relevant and contemporary data. We use a notional example to illustrate model design and function.

Plante, Jeannette↗

NASA NTRSDate not supplied

Validation of a Two-Phase CFD Model for Autogenous Pressurization and Expulsion

This paper presents a two-phase computational fluid dynamics (CFD) model for simulating autogenous pressurization and expulsion in a cryogenic liquid hydrogen storage tank, utilizing a volume-of-fluid (VOF) approach combined with the kinetics-based Schrage equation to accurately capture the phase boundary and interfacial heat, mass, and momentum transfer between liquid and vapor phases. The model is validated against experimental data from NASA's K-site tank facility, specifically experimental case 225, which involved pressurization and controlled expulsion of liquid hydrogen. Various turbulence models are evaluated to assess their influence on model accuracy. The CFD simulations successfully replicate key thermodynamic behaviors observed during the experiments, including pressure evolution, temperature profiles, and phase-change dynamics at the vapor-liquid interface. The predicted tank pressures, temperatures, and pressurant requirements agree with experimental data, with pressurant mass predictions within 16\% of observed values. This study highlights the importance of selecting appropriate turbulence models to accurately simulate complex flow and heat transfer phenomena during tank pressurization and expulsion. By enhancing the accuracy and reliability of CFD models for liquid hydrogen under cryogenic conditions, this research contributes to developing efficient cryogenic propellant management strategies for future space missions.

Computational Fluid Dynamics↗

NASA NTRS1994

Postinstability Models in Dynamics

This paper is devoted to the concept of instability in dynamical systems with the main emphasis on orbital, Hadamard, and Reynolds instabilities. It demonstrates that the requirement about differentiability in dynamics in some cases is not consistent with the physical nature of motions, and may lead to unrealistic solutions. Special attention is paid to the fact that instability is not an invariant of motion: it depends upon frames of reference, the metric of configuration space, and classes of functions selected for mathematical models of physical phenomena. This leads to the possibility of elimination of certain types of instabilities (in particular, those which lead to chaos and turbulence) by enlarging the class of functions using the Reynolds-type transformation in combination with the stabilization principle: the additional terms (the so-called Reynolds stresses) are found from the conditions that they suppress the original instability. Based upon these ideas, a new approach to chaos and turbulence as well as a new mathematical formalism for nonlinear dynamics are discussed.

Zak, Michail↗

DOE OSTI2020

Calibration and modification of the constitutive model for the mechanical response of P91

The objective of this first milestone was to calibrate and if necessary, modify a constitutive model predicting the primary and secondary creep response of P91. The overall path to be followed consists of first calibrating this constitutive model against experimental data available from the literature (this milestone). In parallel, data acquired by indentation tests will be used to calibrate the model (this involves transforming the indentation data into equivalent uniaxial tests). An overall comparison of model parameters will allow assessing to what extent these rapid tests can be used to calibrate models predicting the overall mechanical response of the bulk. Given that COVID naturally hindered the gathering of new experimental data, the choice was made to ensure that LANL would have sufficient funds in year two to perform the bulk of the new calibration work. The following report details (i) how and which of the bulk experimental data was selected, (ii) constitutive model formulation, (iii) predictions of the constitutive model: effects of imposed stress, temperature and precipitate content, (iv) future work.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRSDate not supplied

Validation of a Two-Phase CFD Model for Autogenous Pressurization and Expulsion

This paper presents a two-phase computational fluid dynamics (CFD) model for simulating autogenous pressurization and expulsion in a cryogenic liquid hydrogen storage tank, utilizing a volume-of-fluid (VOF) approach combined with the kinetics-based Schrage equation to accurately capture the phase boundary and interfacial heat, mass, and momentum transfer between vapor and liquid phases. The model is validated against experimental data from NASA's K-site tank facility, specifically experimental case 225, which involved autogenous pressurization and controlled expulsion of liquid hydrogen. Various turbulence models are evaluated to assess their influence on model accuracy. The CFD simulations successfully replicate key thermodynamic behaviors observed during the experiments, including pressure evolution, temperature profiles, and phase-change dynamics at the vapor-liquid interface. The predicted tank pressures and temperatures agree well with experimental data, whereas the pressurant mass predictions are within 16% of observed values. This study emphasizes the importance of selecting appropriate turbulence models to accurately simulate the complex flow and heat transfer phenomena during tank autogenous pressurization and expulsion. By improving the accuracy and reliability of CFD models for these processes, this research contributes to developing efficient cryogenic propellant management strategies for future space missions.

Computational Fluid Dynamics↗

DOE OSTI2022

Measurements of the Hubble Constant with a Two-rung Distance Ladder: Two Out of Three Ain’t Bad

Abstract The three-rung distance ladder, which calibrates Type Ia supernovae (SNe Ia) through stellar distances linked to geometric measurements, provides the highest precision direct measurement of the Hubble constant. In light of the Hubble tension, it is important to test the individual components of the distance ladder. For this purpose, we report a measurement of the Hubble constant from 35 extragalactic Cepheid hosts measured by the SH0ES team, using their distances and redshifts at cz ≤ 3300 km s −1 , instead of any more distant SNe Ia, to measure the Hubble flow. The Cepheid distances are calibrated geometrically in the Milky Way, NGC 4258, and the Large Magellanic Cloud. Peculiar velocities are a significant source of systematic uncertainty at z ∼ 0.01, and we present a formalism for both mitigating and quantifying their effects, making use of external reconstructions of the density and velocity fields in the nearby universe. We identify a significant source of uncertainty originating from different assumptions about the selection criteria of this sample, whether distance or redshift limited, as it was assembled over three decades. Modeling these assumptions yields central values ranging from H 0 = 71.7 to 76.4 km s −1 Mpc −1 . Combining the four best-fitting selection models yields H 0 = 72.9 − 2.2 + 2.4 as a fiducial result, at 2.4 σ tension with Planck. While SNe Ia are essential for a precise measurement of H 0 , unknown systematics in these supernovae are unlikely to be the source of the Hubble tension.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Teaching Freight Mode Choice Models New Tricks Using Interpretable Machine Learning Methods

Understanding and forecasting the intricate freight mode choice behavior under various industry, policy, and technology contexts is essential in freight planning and policymaking. Numerous models have been developed in prior studies to provide insights into freight mode selection, the majority of which use discrete choice models such as multinomial logit (MNL) models. However, logit models often rely on linear specifications of independent variables, despite potential nonlinear relationships in the data. Moreover, there often lacks a heuristic and efficient approach to identify such complex relationships to define the logit model specifications. To fill this gap, we developed an MNL model for freight mode choice using the insights from state-of-the- art machine learning (ML) models. ML models can capture the nonlinear nature of the complex decision-making process, and recent advances in 'explainable AI' have greatly improved their interpretability. The interpretable ML methods help enhance the performance of MNL models and advance knowledge of freight mode choice. Specifically, the influential factors and their relationship with individual modes are identified using SHapley Additive exPlanations (SHAP) to improve the MNL's performance. The workflow is demonstrated in a case study of Austin, Texas, and the SHAP results reveal multiple nonlinear relationships predicted by ML models. Incorporating those relationships into MNL model specifications improves the interpretability and accuracy of the MNL model compared to a conventional MNL model. Findings from this study can be used to guide freight planning and inform policymakers and practitioners on how key factors affect freight decision-making.

ADVANCED PROPULSION SYSTEMS,MATHEMATICS AND COMPUT↗

DOE OSTI2024

Selective phosphate removal with manganese oxide composite anion exchange membranes in membrane capacitive deionization

The discharge of excessive phosphorous into water bodies can lead to serious eutrophication threatening aquatic ecosystem. Membrane capacitive deionization (MCDI) is an effective platform for deionizing aqueous streams; however, conventional MCDI is unable to selectively remove targeted ions from a liquid mixture. Here, in this work, we fabricated manganese oxide composite anion exchange membranes (AEMs) for MCDI to enhance phosphate removal selectivity from sodium chloride-sodium dihydrogen phosphate (10:1 M ratio) aqueous mixtures. We systematically investigated several critical factors, such as constant current or voltage operation, applied voltage amount, process stream pH, and manganese oxide (Mn 2 O 3 ) content in the AEM, on phosphate removal efficiency and phosphate selectivity. A trade-off was observed between phosphate removal and selectivity when increasing the cell voltage. Under the best conditions, a MCDI unit with a 20 wt% Mn 2 O 3 composite AEM and a bipolar membrane facilitated high phosphate removal efficiency of ≥ 31.8 % and a phosphate over chloride selectivity of 1.1 while showing stability for at least 30 cycles. To help understand how Mn 2 O 3 composite AEM boosts phosphate selectivity, static electronic structure calculations were performed, and they revelated that hydrogen phosphate absorption on Mn 2 O 3 composite AEM was 314 kcal/mol more exothermic than that on pristine AEM while chloride adsorption on Mn 2 O 3 composite AEM was 2.2 kcal/mol less exothermic than that on a pristine AEM. Overall, this work presents an effective strategy for selectively removing phosphate from model wastewater solutions and the mechanistic understanding that governs ion selectivity in composite ion-exchange membranes used in MCDI.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Using Satellite and ARM Observations to Evaluate Cold Air Outbreak Cloud Transitions in E3SM Global Storm‐Resolving Simulations

Abstract This study examines marine boundary layer cloud regime transition during a cold air outbreak (CAO) over the Norwegian Sea, simulated by a global storm‐resolving model (GSRM) known as the Simple Cloud‐Resolving Energy Exascale Earth System Model Atmosphere Model (SCREAM). By selecting observational references based on a combination of large‐scale conditions rather than strict time‐matched comparisons, this study finds that SCREAM qualitatively captures the CAO cloud transition, including boundary layer growth, cloud mesoscale structure, and phase partitioning. SCREAM also accurately locates the greatest ice and liquid in the mesoscale updrafts, however, underestimates supercooled liquid water in cumulus clouds. The model evaluation approach adopted by this study takes advantages of the existing computational‐expensive global simulations of GSRM and the available observations to understand model performance and can be applied to assessments of other cloud regimes in different regions. Such practice provides valuable guidance on the future effort to correct and improve biased model behaviors.

54 ENVIRONMENTAL SCIENCES↗