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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Study of spatial spin-modulated structures by Mössbauer spectroscopy using SpectrRelax

SpectrRelax is an application for analysis and fitting of absorption and emission Mössbauer spectra. It includes a large selection of static and relaxation spectrum models, and allows fitting and searching for optimal model parameters. Recently, we have added new models for Mössbauer spectra of nuclides in spatial spin modulated structures. In these structures, spin density or direction changes in a periodic way along a single direction, and this wave is incommensurate with the underlying lattice. The models include Spin/Charge density wave, where the shape of this wave is represented as a sum of odd harmonics, Anharmonic spin modulation where the spin direction has a cycloidal type modulation, and a Spiral-like spin structure, in which magnetic moments rotate in a plane perpendicular to the wave propagation vector, forming a spiral.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Structure of chalcogen overlayers on Au(111): Density functional theory and lattice-gas modeling

Ordering of different chalcogens, S, Se, and Te, on Au(111) exhibit broad similarities but also some distinct features, which must reflect subtle differences in relative values of the long-range pair and many-body lateral interactions between adatoms. We develop lattice-gas (LG) models within a cluster expansion framework, which includes about 50 interaction parameters. These LG models are developed based on density functional theory (DFT) analysis of the energetics of key adlayer configurations in combination with the Monte Carlo (MC) simulation of the LG models to identify statistically relevant adlayer motifs, i.e., model development is based entirely on theoretical considerations. The MC simulation guides additional DFT analysis and iterative model refinement. Given their complexity, development of optimal models is also aided by strategies from supervised machine learning. The model for S successfully captures ordering motifs over a broader range of coverage than achieved by previous models, and models for Se and Te capture the features of ordering, which are distinct from those for S. More specifically, the modeling for all three chalcogens successfully explains the linear adatom rows (also subtle differences between them) observed at low coverages of ~0.1 monolayer. The model for S also leads to a new possible explanation for the experimentally observed phase with a (5 × 5)-type low energy electron diffraction (LEED) pattern at 0.28 ML and to predictions for LEED patterns that would be observed with Se and Te at this coverage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Generalized Tensor-on-Tensor Regression (GToTR)

SAND2026-23069O Generalized Tensor-on-Tensor Regression (GToTR) is a Python-based tool for conducting generalized tensor-on-tensor regression. It provides Canonical Polyadic (CP)-based generalized tensor regression models, support for generalized linear model-like families and links, alternating-optimization model fitting methods, and a standard statistics software interface. The tool supports tensor-valued responses and covariates using the open-source Python Tensor Toolbox (pyttb) software package. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Dunlavy, Daniel [Sandia National Lab. (SNL-CA), Li↗
DOE OSTI2024

Model Formulations: Market clearing models, market design specifications, and dispatch simulation

This document provides various model formulations that will be implemented for the Energy Storage Participation Algorithm pilot competition (ESPA-Comp). This competition will assess the performance of different storage offer algorithms in terms of their ability to maximize the value of storage resources participating under various market designs that vary in the range of complexity of possible storage offers. The model formulations include a general market clearing optimization model and specification to implement it in various market designs. We provide specifications for three market designs to be tested in ESPA-Comp, which we call the two-settlement, multi-settlement, and rolling horizon forward markets. The market designs include different trading frequencies and offer formats. Storage resources participating in the market are provided with primitive values for the resource’s physical capabilities, and they are provided with a storage offer format that their algorithms will be tasked with populating. A detailed physical model is used to assess each storage resource’s ability to maintain its scheduled dispatch according to its state-of-charge, operating temperature, and power conversion efficiency.

25 ENERGY STORAGE↗
NASA NTRS2019

Optical Communication Link Atmospheric Attenuation Model

The Space Communications and Navigation (SCaN) Center for Networking, Integration, and Communications (SCENIC) user interface, which provides web accessible space mission simulation and communication system analysis capabilities using verified and validated analysis algorithms, can execute analyses including, but not limited to, line-of-sight, orbit propagation, and dynamic link budget calculations between sets of missions and/or assets. SCENIC's purpose is to provide NASA civil servants and contractors a user-friendly tool, integrated with model data, that can simulate and analyze a range of space mission architectures without the need for repeated and redundant modeling. Given the abundance and further future development of free space optical (FSO) communication channels within modern space infrastructure, the availability of a reliable optical link analysis capability is crucial for SCENIC users. The efforts outlined in this paper aim to provide a model for atmospheric attenuation of FSO communication links, both due to absorption/scattering and turbulence, to increase the accuracy of SCENIC's optical link assessment capabilities. A previous model existed for optical absorption/scattering within the SCaN Link Budget Tool, but it was not location specific for the Earth ground-based nodes, nor was the model optimized for run-time. The new model utilizes years of National Oceanic and Atmospheric Administration (NOAA) visibility data from ground station locations around the world. Visibility, along with the wavelength of the optical signal, are input parameters to calculate the optical specific attenuation, which is a parameter in the calculation of the slant-path attenuation. A final FSO atmospheric attenuation value is comprised of the absorption/scattering attenuation and the turbulence attenuation. A run-time efficient algorithm for the model was then developed and programmed in MATLAB ® . Due to the simple model and vectorization possible in MATLAB, the algorithm has an average run-time of less than one fourth of the run-time of the previous implementation.

Jack L Green↗
NASA NTRSDate not supplied

Models for Facilitating Government-Funded Activities in the Post-ISS LEO Ecosystem

The International Space Station National Lab (ISSNL) was established through Congressional authority in 2005 and has been managed by a nonprofit called the Center for the Advancement of Science in Space (CASIS) since 2011 to support research, development, education, and commercial activities in low-Earth orbit (LEO). NASA leadership is considering next steps for microgravity and orbital activities in LEO in preparation for the retirement of the International Space Station (ISS) and transition to Commercial LEO Destinations (CLDs) in the 2030 timeframe. Specifically, our study team within the NASA Office of Technology, Policy, and Strategy addressed the question: What are potential models for an ISS National Lab facilitating government-funded or subsidized activities on a commercial LEO platform after the transition of the ISS to one or more private platforms? To inform the trade space of potential models, we conducted over 40 discussions with stakeholders internal and external to NASA and reviewed over 35 documents related to LEO legislation, commercialization, models, and activities. Following the extensive literature review and discussions with diverse stakeholders, we defined and evaluated six models, in addition to the current ISSNL model. We assessed each model across three possible future scenarios (dynamic, steady, and limited growth of the commercial LEO market and activities) and across five stakeholder-driven model evaluation criteria (ability to meet NASA’s needs, adaptability, opportunity for collaboration, market sustainability, and equity and accessibility). The six models in the future trade space were: • Government Research Broker: Customizable research efforts on transport vehicles and CLDs • Innovation Campus: Modern terrestrial campus with workforce focus • Anchor Tenant: Long-term, substantial agreement for leasing space on a single CLD • Fee for Service: Free market approach with NASA-sponsored grants and service/data buys • Matchmaker: Neutral third-party connecting users to platforms • Institute Network: Network of separate but related efforts to enable commercial scaling The Government Research Broker model performed best across the scenarios, followed by Innovation Campus, Anchor Tenant, and Fee for Service. While Matchmaker and Institute Network exhibited positive aspects, the two models performed most favorably in future scenarios with well-established communities and markets. The six models presented in this study are representative of the potential trade space and are illustrative examples. NASA leadership can adjust models as desired to align to their priorities more closely by using combinations of the unique model features provided in our analysis. The optimal model is likely a combination of features from multiple models. Building upon this work to best position NASA and the diverse stakeholders of LEO activities for success post-ISS, further work will explore the near-term impact of preparing for the transition of the ISS to CLDs by identifying opportunities for modifying the current ISSNL-CASIS partnership. ACKNOWLEDGEMENTS We thank the many reviewers and discussants, internal and external to NASA, that contributed to the work.

Erica Rodgers↗
NASA NTRS2013

Range-Specific High-resolution Mesoscale Model Setup

This report summarizes the findings from an AMU task to determine the best model configuration for operational use at the ER and WFF to best predict winds, precipitation, and temperature. The AMU ran test cases in the warm and cool seasons at the ER and for the spring and fall seasons at WFF. For both the ER and WFF, the ARW core outperformed the NMM core. Results for the ER indicate that the Lin microphysical scheme and the YSU PBL scheme is the optimal model configuration for the ER. It consistently produced the best surface and upper air forecasts, while performing fairly well for the precipitation forecasts. Both the Ferrier and Lin microphysical schemes in combination with the YSU PBL scheme performed well for WFF in the spring and fall seasons. The AMU has been tasked with a follow-on modeling effort to recommended local DA and numerical forecast model design optimized for both the ER and WFF to support space launch activities. The AMU will determine the best software and type of assimilation to use, as well as determine the best grid resolution for the initialization based on spatial and temporal availability of data and the wall clock run-time of the initialization. The AMU will transition from the WRF EMS to NU-WRF, a NASA-specific version of the WRF that takes advantage of unique NASA software and datasets. 37

Watson, Leela R.↗
DOE OSTI2016

MO-FG-CAMPUS-TeP2-03: Multi-Criteria Optimization Using Taguchi Method for SRS of Multiple Lesions by Single Isocenter

Purpose: This study utilizes the Taguchi Method to evaluate the VMAT planning parameters of single isocenter treatment plans for multiple brain metastases. An optimization model based on Taguchi and utility concept is employed to optimize the planning parameters including: arc arrangement, calculation grid size, calculation model, and beam energy on multiple performance characteristics namely conformity index and dose to normal brain. Methods: Treatment plans, each with 4 metastatic brain lesions were planned using single isocenter technique. The collimator angles were optimized to avoid open areas. In this analysis four planning parameters (a–d) were considered: (a)-Arc arrangements: set1: Gantry 181cw179 couch0; gantry179ccw0, couch315; and gantry0ccw181, couch45. set2: set1 plus additional arc: Gantry 0cw179, couch270. (b)-Energy: 6-MV; 6MV-FFF (c)-Calculation grid size: 1mm; 1.5mm (d)-Calculation models: AAA; Acuros Treatment planning was performed in Varian Eclipse (ver.11.0.30). A suitable orthogonal array was selected (L8) to perform the experiments. After conducting the experiments with the combinations of planning parameters the conformity index (CI) and the normal brain dose S/N ratio for each parameter was calculated. Optimum levels for the multiple response optimizations were determined. Results: We determined that the factors most affecting the conformity index are arc arrangement and beam energy. These tests were also used to evaluate dose to normal brain. In these evaluations, the significant parameters were grid size and calculation model. Using the utility concept we determined the combination of each of the four factors tested in this study that most significantly influence quality of the resulting treatment plans: (a)-arc arrangement-set2, (b)-6MV, (c)-calc.grid 1mm, (d)-Acuros algorithm. Overall, the dominant significant influences on plan quality are (a)-arcarrangement, and (b)-beamenergy. Conclusion: Results were analyzed using ANOVA and were found to be within the confidence interval. Further investigation using this methodology. Such parameters might include: virtual OAR and optimization criterion such as normal tissue objective.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Cities Topology - Curbs and Parking

Personal vehicles, buses, freight, emerging services (e.g., ride-hailing), and other modes impose several combinations of competing demands for curb space. Therefore, research is needed to better understand impacts and prioritize space allocation - parking, pick-up/drops or PUDOs, commercial zones, bus stops, etc. - to optimize mobility and energy use. This study aims to develop an optimization model to allocate and manage curb space by interviewing experts, analyzing responses to understand curb space key requirements and priorities, link such curb-management practices to mobility and energy productivity, and provide methods suitable for micro-scale analysis.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Hydropower Advantages over Batteries in Energy Storage of Off-Grid Systems: A Case Study

Microgrids are decentralized power production systems, where the energy production and consumption are very close to each other. Microgrids generally exploit renewable energy sources, encountering a problem of storage, as the power production from solar and wind is intermittent. This research presents a new integrated methodology and discusses a comparison of batteries and pumped storage hydropower (PSH) as energy storage systems with the integration of wind and solar PV energy sources, which are the major upcoming technologies in the renewable energy sector. We implemented the simulator and optimizer model (HOMER), which develops energy availability usage to obtain optimized renewable energy integration in the microgrid, showing its economic added value. Two scenarios are run with this model—one considers batteries as an energy storage technology and the other considers PSH—in order to obtain the best economic and technical results for the analyzed microgrid. The economic analysis showed a lower net present cost (NPC) and levelized cost of energy (LCOE) for the microgrid with PSH. The results showed that the microgrid with the storage of PSH was economical, with an NPC of 45.8 M€ and an LCOE of 0.379 €/kWh, in comparison with the scenario with batteries, which had an NPC of 95.2 M€ and an LCOE of 0.786 €/kWh. The role of storage was understood by differentiating the data into different seasons, using a Python model. Furthermore, a sensitivity analysis was conducted by varying the capital cost multiplier of solar PV and wind turbines to obtain the best optimal economic solutions.

Guruprasad, Prajwal↗
DOE OSTI2023

Systems and methods for modeling water quality

A system, method, device and computer-readable medium for creating an ensemble model of water quality. The ensemble model is generated by determining a set of optimal component models for spectral regions of a body of water, and combining the optimal models. The optimal models can be based on remote sensing data, including satellite imagery. A K-fold partition approach or a global approach can be used to determine the optimal component models, and the optimal component models can be combined through spectral space partition rules to generate an ensemble model of water quality. The ensemble model not only has improved water quality prediction ability, but also has strong spatial and temporal extensibility. The spatial and temporal extensibility of the ensemble model is fundamentally important and desirable for long-term and large-scale remote sensing monitoring and assessment of water quality.

Liu, Hongxing↗
DOE OSTI2013

A multi-objective programming model for assessment the GHG emissions in MSW management

Highlights: • The multi-objective multi-period optimization model. • The solution approach for the generation of the Pareto front with mathematical programming. • The very detailed description of the model (decision variables, parameters, equations). • The use of IPCC 2006 guidelines for landfill emissions (first order decay model) in the mathematical programming formulation. - Abstract: In this study a multi-objective mathematical programming model is developed for taking into account GHG emissions for Municipal Solid Waste (MSW) management. Mathematical programming models are often used for structure, design and operational optimization of various systems (energy, supply chain, processes, etc.). The last twenty years they are used all the more often in Municipal Solid Waste (MSW) management in order to provide optimal solutions with the cost objective being the usual driver of the optimization. In our work we consider the GHG emissions as an additional criterion, aiming at a multi-objective approach. The Pareto front (Cost vs. GHG emissions) of the system is generated using an appropriate multi-objective method. This information is essential to the decision maker because he can explore the trade-offs in the Pareto curve and select his most preferred among the Pareto optimal solutions. In the present work a detailed multi-objective, multi-period mathematical programming model is developed in order to describe the waste management problem. Apart from the bi-objective approach, the major innovations of the model are (1) the detailed modeling considering 34 materials and 42 technologies, (2) the detailed calculation of the energy content of the various streams based on the detailed material balances, and (3) the incorporation of the IPCC guidelines for the CH{sub 4} generated in the landfills (first order decay model). The equations of the model are described in full detail. Finally, the whole approach is illustrated with a case study referring to the application of the model in a Greek region.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1981

The extension of the thermal-vacuum test optimization program to multiple flights

The thermal vacuum test optimization model developed to provide an approach to the optimization of a test program based on prediction of flight performance with a single flight option in mind is extended to consider reflight as in space shuttle missions. The concept of 'utility', developed under the name of 'availability', is used to follow performance through the various options encountered when the capabilities of reflight and retrievability of space shuttle are available. Also, a 'lost value' model is modified to produce a measure of the probability of a mission's success, achieving a desired utility using a minimal cost test strategy. The resulting matrix of probabilities and their associated costs provides a means for project management to evaluate various test and reflight strategies.

Williams, R. E.↗
DOE OSTI2022

Can we use antipredator behavior theory to predict wildlife responses to high-speed vehicles?

Animals seem to rely on antipredator behavior to avoid vehicle collisions. There is an extensive body of antipredator behavior theory that have been used to predict the distance/time animals should escape from predators. These models have also been used to guide empirical research on escape behavior from vehicles. However, little is known as to whether antipredator behavior models are appropriate to apply to an approaching high-speed vehicle scenario. We addressed this gap by (a) providing an overview of the main hypotheses and predictions of different antipredator behavior models via a literature review, (b) exploring whether these models can generate quantitative predictions on escape distance when parameterized with empirical data from the literature, and (c) evaluating their sensitivity to vehicle approach speed using a simulation approach wherein we assessed model performance based on changes in effect size with variations in the slope of the flight initiation distance (FID) vs. approach speed relationship. The slope of the FID vs. approach speed relationship was then related back to three different behavioral rules animals may rely on to avoid approaching threats: the spatial, temporal, or delayed margin of safety. We used literature on birds for goals (b) and (c). Our review considered the following eight models: the economic escape model, Blumstein’s economic escape model, the optimal escape model, the perceptual limit hypothesis, the visual cue model, the flush early and avoid the rush (FEAR) hypothesis, the looming stimulus hypothesis, and the Bayesian model of escape behavior. We were able to generate quantitative predictions about escape distance with the last five models. However, we were only able to assess sensitivity to vehicle approach speed for the last three models. The FEAR hypothesis is most sensitive to high-speed vehicles when the species follows the spatial (FID remains constant as speed increases) and the temporal margin of safety (FID increases with an increase in speed) rules of escape. The looming stimulus effect hypothesis reached small to intermediate levels of sensitivity to high-speed vehicles when a species follows the delayed margin of safety (FID decreases with an increase in speed). The Bayesian optimal escape model reached intermediate levels of sensitivity to approach speed across all escape rules (spatial, temporal, delayed margins of safety) but only for larger (> 1 kg) species, but was not sensitive to speed for smaller species. Overall, no single antipredator behavior model could characterize all different types of escape responses relative to vehicle approach speed but some models showed some levels of sensitivity for certain rules of escape behavior. We derive some applied applications of our findings by suggesting the estimation of critical vehicle approach speeds for managing populations that are especially susceptible to road mortality. Overall, we recommend that new escape behavior models specifically tailored to high-speeds vehicles should be developed to better predict quantitatively the responses of animals to an increase in the frequency of cars, airplanes, drones, etc. they will face in the next decade.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Effects of random forest modeling decisions on biogeochemical time series predictions

Abstract Random forests (RF) are an increasingly popular machine learning approach used to model biogeochemical processes in the Earth system. While RF models are robust to many assumptions that complicate deterministic models, there are several important parameterization decisions for appropriate use and optimal model fit. We explored the role that parameter decisions, including training/testing data splitting strategies, variable selection, and hyperparameters play on RF goodness‐of‐fit by constructing models using 1296 unique parameter combinations to predict concentrations of nitrate, a key nutrient for biogeochemical cycling in aquatic ecosystems. Models were built on long‐term, publicly available water quality and meteorology time series collected by the National Estuarine Research Reserve monitoring network for two contrasting ecosystems representing freshwater and brackish estuaries. We found that accounting for temporal dependence when splitting data into training and testing subsets was key for avoiding over‐estimation of model predictive power. In addition, variable selection, the ratio of training to testing data, and to a lesser degree, variables per split and number of trees, were significant parameters for optimizing RF goodness‐of‐fit. We also explored how model parameter decisions influenced interpretation of the relative importance of predictors to the model, and model predictor‐dependent variable relationships, with results suggesting that both data structure and model parameterization influence these factors. Because much of the current RF literature is written for the computational and statistical science communities, the primary goal of this study is to provide guidelines for aquatic scientists new to machine learning to apply RF techniques appropriately to aquatic biogeochemical datasets.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Generation Expansion Planning With Large Amounts of Wind Power via Decision-Dependent Stochastic Programming

Power generation expansion planning needs to deal with future uncertainties carefully, given that the invested generation assets will be in operation for a long time. Many stochastic programming models have been proposed to tackle this challenge. However, most previous works assume predetermined future uncertainties (i.e., fixed random outcomes with given probabilities). In several recent studies of generation assets' planning (e.g., thermal versus renewable), new findings show that the investment decisions could affect the future uncertainties as well. To this end, this paper proposes a multistage decision-dependent stochastic optimization model for long-term large-scale generation expansion planning, where large amounts of wind power are involved. In the decision-dependent model, the future uncertainties are not only affecting but also affected by the current decisions. In particular, the probability distribution function is determined by not only input parameters but also decision variables. To deal with the nonlinear constraints in our model, a quasi-exact solution approach is then introduced to reformulate the multistage stochastic investment model to a mixed-integer linear programming model. The wind penetration, investment decisions, and the optimality of the decision-dependent model are evaluated in a series of multistage case studies. The results show that the proposed decision-dependent model provides effective optimization solutions for long-term generation expansion planning.

Zhan, Yiduo↗