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

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At least 91 records · Page 5

A sensitivity analysis of regional and small watershed hydrologic models

Continuous simulation models of the hydrologic behavior of watersheds are important tools in several practical applications such as hydroelectric power planning, navigation, and flood control. Several recent studies have addressed the feasibility of using remote earth observations as sources of input data for hydrologic models. The objective of the study reported here was to determine how accurately remotely sensed measurements must be to provide inputs to hydrologic models of watersheds, within the tolerances needed for acceptably accurate synthesis of streamflow by the models. The study objective was achieved by performing a series of sensitivity analyses using continuous simulation models of three watersheds. The sensitivity analysis showed quantitatively how variations in each of 46 model inputs and parameters affect simulation accuracy with respect to five different performance indices.

Ambaruch, R.↗

Streamlining the Coupling of BISON and Dakota Through the NEAMS Workbench

Metallic nuclear fuels for use in advanced reactors are an active area of research and development. Robust, accurate metallic fuel performance models are necessary for the design, analysis, and licensing of such reactors. However, metallic fuel performance models require additional development; they are not as mature as uranium dioxide fuel performance models. To support further metallic fuel development, Oak Ridge National Laboratory and the University of Florida have streamlined the coupling of the BISON fuel performance code with Design Analysis Kit for Optimization and Terascale Applications (Dakota) statistical analysis tool through the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Workbench. This work included performing three different sensitivity analyses on metallic nuclear fuel models in BISON. The analyses examined were a general model of the IFR-1 experiment, the X430 experiment T654 pin, and the X430 experiment T651 pin. The results suggest that BISON and Dakota can be integrated through NEAMS Workbench to perform sensitivity and uncertainty analyses and visualize the results.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Model‐Based Approach to Selecting Pegfilgrastim Dose for Pharmacokinetic and Pharmacodynamic Similarity Studies in Biosimilar Development

This study applied modeling and simulation (M&S) approaches to evaluate the sensitivity of pegfilgrastim pharmacokinetics (PKs) and pharmacodynamics (PDs) to changes in dose amount, and linear or nonlinear clearance (CL) over pegfilgrastim subcutaneous dose of 2–6 mg. A previously published model was adapted to better describe pegfilgrastim PK and PD data in healthy subjects and used in simulation. Nonlinear CL accounts for 98% and 77%, respectively, of the total CL of pegfilgrastim at 2 and 6 mg. The sensitivity analyses showed: (i) PK of 2 and 6 mg doses are similarly sensitive to detect differences for a 5% change in dose; (ii) PK of 2 mg dose is more sensitive to changes in receptor binding affinity, a model parameter for nonlinear CL, and a product quality attribute characterized with orthogonal methods as part of demonstrating analytical similarity between products; (iii) PK of approved 6 mg dose is more sensitive to changes in linear CL, which has not been associated with any specific product quality attributes, and (iv) the PDs are not sensitive to changes in linear or nonlinear CL. Taken together, our analyses support that the approved pegfilgrastim dose of 6 mg is appropriate for detecting differences between a biosimilar and the reference products in pegfilgrastim PK and PD similarity studies. The described M&S approaches can be adopted to support dose selection for biosimilars with nonlinear PK and complex PK–PD interplay.

Pharmacology & Pharmacy↗

Modeling sediment diagenesis processes on riverbed to better quantify aquatic carbon fluxes and stocks in a small watershed of the Mid-Atlantic region

Background: Despite the widely recognized importance of aquatic processes for bridging gaps in the global carbon cycle, there is still a lack of understanding of the role of riverbed processes for carbon flows and stocks in aquatic environments. Here, we added a sediment diagenesis and sediment carbon (C) resuspension module into the SWAT-C model and tested it for simulating both particulate organic C (POC) and dissolved organic C (DOC) fluxes using 4 years of monthly observations (2014–2017) in the Tuckahoe watershed (TW) in the U.S. Mid-Atlantic region. Results: Sensitivity analyses show that parameters that regulate POC deposition in river networks are more sensitive than those that determine C resuspension from sediments. Further analyses indicate that allochthonous contributions to POC and DOC are about 36.6 and 46 kgC ha –1 year –1 , respectively, while autochthonous contributions are less than 0.72 kgC ha –1 year –1 for both POC and DOC (less than 2% of allochthonous sources). The net deposition of POC on the riverbed (i.e., 11.4 kgC ha –1 year –1 ) retained ca. 31% of terrestrial inputs of POC. In addition, average annual buried C was 0.34 kgC ha –1 year –1 , accounting for only 1% of terrestrial POC inputs or 3% of net POC deposition. The results indicate that about 79% of deposited organic C was converted to inorganic C (CH 4 and CO 2 ) in the sediment and eventually released into the overlying water column. Conclusion: This study serves as an exploratory study on estimation of C fluxes from terrestrial to aquatic environments at the watershed scale. We demonstrated capabilities of the SWAT-C model to simulate C cycling from uplands to riverine ecosystems and estimated C sinks and sources in aquatic environments. Overall, the results highlight the importance of including carbon cycle dynamics within the riverbed in order to accurately estimate aquatic carbon fluxes and stocks. The new capabilities of SWAT-C are expected to serve as a useful tool to account for those processes in watershed C balance assessment.

54 ENVIRONMENTAL SCIENCES↗

Optimum sensitivity derivatives of objective functions in nonlinear programming

The feasibility of eliminating second derivatives from the input of optimum sensitivity analyses of optimization problems is demonstrated. This elimination restricts the sensitivity analysis to the first-order sensitivity derivatives of the objective function. It is also shown that when a complete first-order sensitivity analysis is performed, second-order sensitivity derivatives of the objective function are available at little additional cost. An expression is derived whose application to linear programming is presented.

Barthelemy, J.-F. M.↗

Difficult Decisions Made Easier

NASA missions are extremely complex and prone to sudden, catastrophic failure if equipment falters or if an unforeseen event occurs. For these reasons, NASA trains to expect the unexpected. It tests its equipment and systems in extreme conditions, and it develops risk-analysis tests to foresee any possible problems. The Space Agency recently worked with an industry partner to develop reliability analysis software capable of modeling complex, highly dynamic systems, taking into account variations in input parameters and the evolution of the system over the course of a mission. The goal of this research was multifold. It included performance and risk analyses of complex, multiphase missions, like the insertion of the Mars Reconnaissance Orbiter; reliability analyses of systems with redundant and/or repairable components; optimization analyses of system configurations with respect to cost and reliability; and sensitivity analyses to identify optimal areas for uncertainty reduction or performance enhancement.

Source record↗

A PDE Model of Breast Tumor Progression in MMTV-PyMT Mice

The evolution of breast tumors greatly depends on the interaction network among different cell types, including immune cells and cancer cells in the tumor. This study takes advantage of newly collected rich spatio-temporal mouse data to develop a data-driven mathematical model of breast tumors that considers cells’ location and key interactions in the tumor. The results show that cancer cells have a minor presence in the area with the most overall immune cells, and the number of activated immune cells in the tumor is depleted over time when there is no influx of immune cells. Interestingly, in the case of the influx of immune cells, the highest concentrations of both T cells and cancer cells are in the boundary of the tumor, as we use the Robin boundary condition to model the influx of immune cells. In other words, the influx of immune cells causes a dominant outward advection for cancer cells. We also investigate the effect of cells’ diffusion and immune cells’ influx rates in the dynamics of cells in the tumor micro-environment. Sensitivity analyses indicate that cancer cells and adipocytes’ diffusion rates are the most sensitive parameters, followed by influx and diffusion rates of cytotoxic T cells, implying that targeting them is a possible treatment strategy for breast cancer.

60 APPLIED LIFE SCIENCES↗

A physiologically based pharmacokinetic (PBPK) model to align dosimetry of the isobutyl metabolic series in rats and humans

Here, we developed a physiologically based pharmacokinetic (PBPK) model in rats and humans for the isobutyl metabolic series including isobutyl acetate, isobutanol, isobutyraldehyde, and isobutyric acid. Chemical manufactures routinely use these compounds as solvents, for chemical synthesis, as potential biofuels, de-icing fluids, and additives for food and/or fragrance in consumer products. Human exposure to isobutyl compounds can occur through inhalation or oral routes. We previously developed a PBPK model for the propyl metabolic series and utilized it as a framework to create the isobutyl PBPK model due to the chemical similarities between the two series. To support model development, we measured in vitro metabolism of isobutyl acetate in rat and human blood and liver S9 fractions. Compared to rats, humans demonstrated faster isobutyl acetate hydrolysis in liver S9 fractions, while the hydrolysis rates in blood were similar between the two species. We used concentrations of isobutyl compounds measured in air and blood from rats exposed to isobutyl acetate and isobutanol as well as other published data to further parameterize the model. Following exposure to either isobutyl acetate or isobutanol, we observed isobutanol concentrations highest among the isobutyl compounds in the blood of rats. Overall, the model accurately predicts measured time course concentrations of isobutyl acetate, isobutanol, and isobutyric acid in available data in rats and humans. Sensitivity analyses identified alveolar ventilation rates, isobutyl metabolism rates, and cardiac output as the most sensitive parameters affecting concentrations of isobutyl compounds in blood. The isobutyl PBPK model enables comparisons of internal dose metrics across various isobutyl compound exposures and species and allows for calculation of equivalent external exposures that result in the same dose metric. Regulators can employ this PBPK model to predict and align internal dose metrics of isobutyl compounds for risk assessment purposes.

2-methyl-1-propanol↗

System Model Calculations for the Active Trenches of the Low-Level Burial Grounds, Hanford Site, Washington

Two lined trenches (Trench 31 and 34) located within the 200 West Low-Level Burial Ground (LLBG) area of the U.S. Department of Energy’s (DOE) Hanford Site are designated for permanent disposal of low-level radioactive waste (LLW) and mixed low-level radioactive waste (MLLW). In accordance with DOE O 435.1, Radioactive Waste Management, radioactive waste shall be managed and disposed in a manner that is protective of worker, public health and safety, and the environment. DOE O 435.1 requires a site-specific radiological performance assessment (PA) that includes calculations of potential releases and subsequent doses to members of the public for a period of 1,000 years after closure of a low-level waste (LLW) disposal facility. The purpose of this environmental calculation file (ECF) is to document the various dose calculations performed to support DOE’s LLBG PA. The dose assessments are performed to evaluate the potential exposure of an all-pathway representative person to radionuclide contaminants of potential concern (COPCs) that may be released from the LLBG Trenches 31 and 34 to the point of calculation (POC) located at the outer edge of a 100 m buffer zone surrounding the trench boundary. This ECF uses inputs from other ECFs and their associated model package reports (MPRs) supporting the LLBG PA. The five major objectives of this ECF are to present the results of the following: (1) Deterministic dose assessments for both groundwater and atmospheric exposure scenarios; (2) Radon-222 (Rn-222) flux emanating at the surface from the disposed wastes; (3) Uncertainty analyses of the groundwater pathway annual dose due to uncertainty in input parameters; (4) Sensitivity analyses of the input parameters that could potentially impact the fate and transport of the contaminants and doses; (5) Doses arising from inadvertent intruder exposure scenarios.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Coal gasification systems engineering and analysis, volume 2

The major design related features of each generic plant system were characterized in a catalog. Based on the catalog and requirements data, approximately 17 designs and cost estimates were developed for MBG and alternate products. A series of generic trade studies was conducted to support all of the design studies. A set of cost and programmatic analyses were conducted to supplement the designs. The cost methodology employed for the design and sensitivity studies was documented and implemented in a computer program. Plant design and construction schedules were developed for the K-T, Texaco, and B&W MBG plant designs. A generic work breakdown structure was prepared, based on the K-T design, to coincide with TVA's planned management approach. An extensive set of cost sensitivity analyses was completed for K-T, Texaco, and B&W design. Product price competitiveness was evaluated for MBG and the alternate products. A draft management policy and procedures manual was evaluated. A supporting technology development plan was developed to address high technology risk issues. The issues were identified and ranked in terms of importance and tractability, and a plan developed for obtaining data or developing technology required to mitigate the risk.

Source record↗

Effects of Photovoltaic Module Materials and Design on Module Deformation Under Load

Quasi-static structural finite-element models of an aluminum-framed crystalline silicon photovoltaic module and a glass-glass thin-film module were constructed and validated against experimental measurements of deflection under uniform pressure loading. Specific practices in the computational representation of module assembly were identified as influential to matching experimental deflection observations. Additionally, parametric analyses using Latin hypercube sampling were performed to propagate input uncertainties related to module materials, dimensions, and tolerances into uncertainties in simulated deflection. Sensitivity analyses were performed on the uncertainty quantification datasets using linear correlation coefficients and variance-based sensitivity indices to elucidate key parameters influencing module deformation. Results identified edge tape and adhesive material properties as being strongly correlated to module deflection, suggesting that optimization of these materials could yield module stiffness gains at par with the conventionally structural parameters, such as glass thickness. This exercise verifies the applicability of finite-element models for accurately predicting mechanical behavior of solar modules and demonstrates a workflow for model-based parametric uncertainty quantification and sensitivity analysis. Finally, applications of this capability include the assessment of field environment loads, derivation of representative loading conditions for reduced-scale testing, and module design optimization, among others.

42 ENGINEERING↗

Parameterization-Induced Uncertainties and Impacts of Crop Management Harmonization in a Global Gridded Crop Model Ensemble

Global gridded crop models (GGCMs) combine agronomic or plant growth models with gridded spatial input data to estimate spatially explicit crop yields and agricultural externalities at the global scale. Differences in GGCM outputs arise from the use of different biophysical models, setups, and input data. GGCM ensembles are frequently employed to bracket uncertainties in impact studies without investigating the causes of divergence in outputs. This study explores differences in maize yield estimates from five GGCMs based on the public domain field-scale model Environmental Policy Integrated Climate (EPIC) that participate in the AgMIP Global Gridded Crop Model Intercomparison initiative. Albeit using the same crop model, the GGCMs differ in model version, input data, management assumptions, parameterization, and selection of subroutines affecting crop yield estimates via cultivar distributions, soil attributes, and hydrology among others. The analyses reveal inter-annual yield variability and absolute yield levels in the EPIC-based GGCMs to be highly sensitive to soil parameterization and crop management. All GGCMs show an intermediate performance in reproducing reported yields with a higher skill if a static soil profile is assumed or sufficient plant nutrients are supplied. An in-depth comparison of setup domains for two EPIC-based GGCMs shows that GGCM performance and plant stress responses depend substantially on soil parameters and soil process parameterization, i.e. hydrology and nutrient turnover, indicating that these often neglected domains deserve more scrutiny. For agricultural impact assessments, employing a GGCM ensemble with its widely varying assumptions in setups appears the best solution for coping with uncertainties from lack of comprehensive global data on crop management, cultivar distributions and coefficients for agro-environmental processes. However, the underlying assumptions require systematic specifications to cover representative agricultural systems and environmental conditions. Furthermore, the interlinkage of parameter sensitivity from various domains such as soil parameters, nutrient turnover coefficients, and cultivar specifications highlights that global sensitivity analyses and calibration need to be performed in an integrated manner to avoid bias resulting from disregarded core model domains. Finally, relating evaluations of the EPIC-based GGCMs to a wider ensemble based on individual core models shows that structural differences outweigh in general differences in configurations of GGCMs based on the same model, and that the ensemble mean gains higher skill from the inclusion of structurally different GGCMs. Although the members of the wider ensemble herein do not consider crop-soil-management interactions, their sensitivity to nutrient supply indicates that findings for the EPIC-based sub-ensemble will likely become relevant for other GGCMs with the progressing inclusion of such processes.

Folberth, Christian↗

JuTrack: A Julia package for auto-differentiable accelerator modeling and particle tracking

Efficient accelerator modeling and particle tracking are key for the design and configuration of modern particle accelerators. In this work, we present JuTrack, a nested accelerator modeling package developed in the Julia programming language and enhanced with compiler-level automatic differentiation (AD). With the aid of AD, JuTrack enables rapid derivative calculations in accelerator modeling, facilitating sensitivity analyses and optimization tasks. Here we demonstrate the effectiveness of AD-derived derivatives through several practical applications, including sensitivity analysis of space-charge-induced emittance growth, nonlinear beam dynamics analysis for a synchrotron light source, and lattice parameter tuning of the future Electron-Ion Collider (EIC). Through the incorporation of automatic differentiation, this package opens up new possibilities for accelerator physicists in beam physics studies and accelerator design optimization.

43 PARTICLE ACCELERATORS↗

Hanford Site Composite Analysis Special Analysis: Inventory and Solid Waste Release Modeling for the LLBG Sensitivity Case - UCAQ-22-01 Inventory Discrepancies for 218-E-12B, 218-W-3A, and 218-W-3AE in the Hanford Site Composite Analysis

This environmental calculation file (ECF) documents the methodologies, assumptions, and results of four sensitivity analyses that reevaluate the representativeness of solid-waste radionuclide inventory and release rate from three solid waste sites included in the recently completed Hanford Site Composite Analysis (CA) (DOE-RL-2019-52, Composite Analysis for Low-Level Waste Disposal in the Hanford Site Central Plateau (FY 2020), Rev. 1) (hereinafter called the CA Update). Specifically, this ECF reevaluates the representativeness of the base case inventory and radionuclide waste release rates from three solid waste sites (i.e., 218-E-12B, 218-W-3A, and 218-W-3AE) and two radionuclides (i.e., carbon-14 [C-14] and technetium-99 [Tc-99]). These three waste sites and two radionuclides were identified as being the most significant contributors to groundwater contamination and dose in the CA Update for the Inner Area boundary at times periods after the compliance period. This ECF first evaluates the representativeness of the C-14 and Tc-99 inventory and second, radionuclide release rates for the three waste sites1. If the inventory and release rates assumed in the CA Update are determined to be not representative, as hypothesized in the CA Update, then this ECF evaluates the impact of more representative inventories and release rates on the transfer of radionuclides to the vadose zone. The four analyses described in this ECF are as follows: 1) 218-E-12B C-14 Inventory and Release Rate Sensitivity Case – Determine the representativeness of the C-14 inventory and associated waste release rate from the 218-E-12B waste site assumed in the CA Update. If the inventory and associated waste release are more appropriately characterized as being different from the assumptions in the CA Update, then update the predicted C-14 release rate and compare the results to the results presented in the CA Update (DOE/RL-2019-52); 2) 218-W-3A C-14 Inventory and Release Rate Sensitivity Case – Determine the representativeness of the C-14 inventory and associated waste release rate from the 218-W-3A waste site assumed in the CA Update. If the inventory and associated waste release are more appropriately characterized as being different from the assumptions in the CA Update, then update the predicted C-14 release rate and compare the results to the results presented in the CA Update (DOE/RL-2019-52); 3) 218-W-3AE Tc-99 Release Rate Sensitivity Case – Determine the representativeness of the Tc-99 inventory and associated waste release rate from the 218-W-3AE waste site assumed in the CA Update. If the inventory and associated waste release are more appropriately characterized as being different from the assumptions in the CA Update, then update the predicted Tc-99 release rate and compare the results to the results presented in the CA Update (DOE/RL-2019-52); 4) 218-W-3AE Tc-99 Release Footprint Sensitivity Case – Determine the representativeness of the Tc-99 waste area footprint for the 218-W-3AE waste site assumed in the CA Update. If the footprint of the waste is more appropriately characterized as being different from the assumptions in the CA Update, then update the predicted Tc-99 release rate and compare the results to the result presented in the CA Update (DOE/RL-2019-52).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Automatic differentiation evaluated as a tool for rotorcraft design and optimization

This paper investigates the use of automatic differentiation (AD) as a means for generating sensitivity analyses in rotorcraft design and optimization. This technique transforms an existing computer program into a new program that performs sensitivity analysis in addition to the original analysis. The original FORTRAN program calculates a set of dependent (output) variables from a set of independent (input) variables, the new FORTRAN program calculates the partial derivatives of the dependent variables with respect to the independent variables. The AD technique is a systematic implementation of the chain rule of differentiation, this method produces derivatives to machine accuracy at a cost that is comparable with that of finite-differencing methods. For this study, an analysis code that consists of the Langley-developed hover analysis HOVT, the comprehensive rotor analysis CAMRAD/JA, and associated preprocessors is processed through the AD preprocessor ADIFOR 2.0. The resulting derivatives are compared with derivatives obtained from finite-differencing techniques. The derivatives obtained with ADIFOR 2.0 are exact within machine accuracy and do not depend on the selection of step-size, as are the derivatives obtained with finite-differencing techniques.

Walsh, Joanne L.↗

Reduced size first-order subsonic and supersonic aeroelastic modeling

Various aeroelastic, aeroservoelastic, dynamic-response, and sensitivity analyses are based on a time-domain first-order (state-space) formulation of the equations of motion. The formulation of this paper is based on the minimum-state (MS) aerodynamic approximation method, which yields a low number of aerodynamic augmenting states. Modifications of the MS and the physical weighting procedures make the modeling method even more attractive. The flexibility of constraint selection is increased without increasing the approximation problem size; the accuracy of dynamic residualization of high-frequency modes is improved; and the resulting model is less sensitive to parametric changes in subsequent analyses. Applications to subsonic and supersonic cases demonstrate the generality, flexibility, accuracy, and efficiency of the method.

Karpel, Mordechay↗