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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 1,765 records · Page 98
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Understanding activity engagement across weekdays and weekend days: A multivariate multiple discrete-continuous modeling approach

This paper is motivated by the increasing recognition that modeling activity-travel demand for a single day of the week, as is done in virtually all travel forecasting models, may be inadequate in capturing underlying processes that govern activity-travel scheduling behavior. The considerable variability in daily travel suggests that there are important complementary relationships and competing tradeoffs involved in scheduling and allocating time to various activities across days of the week. Both limited survey data availability and methodological challenges in modeling week-long activity-travel schedules have precluded the development of multi-day activity-travel demand models. With passive and technology-based data collection methods increasingly in vogue, the collection of multi-day travel data may become increasingly commonplace in the years ahead. This paper addresses the methodological challenge associated with modeling multi-day activity-travel demand by formulating a multivariate multiple discrete-continuous probit (MDCP) model system. The comprehensive framework ties together two MDCP model components, one corresponding to weekday time allocation and the other to weekend activity-time allocation. By tying the two MDCP components together, the model system also captures relationships in activity-time allocation between weekdays on the one hand and weekend days on the other. Model estimation on a week-long travel diary data set from the United Kingdom shows that there are significant inter-relationships between weekdays and weekend days in activity-travel scheduling behavior. In conclusion, the model system presented in this paper may serve as a higher-level multi-day activity scheduler in conjunction with existing daily activity-based travel models.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS1992

Evaluating human performance modeling for system assessment: Promise and problems

The development and evaluation of computational human performance models is examined. An intention is to develop models which can be used to interact with system prototypes and simulations to perform system assessment. Currently LR is working on a set of models emulating cognitive, psychomotor, auditory, and visual activity for multiple operator positions of a command and control simulation system. These models, developed in conjunction with BBN Systems and Technologies, function within the simulation environment and allow for both unmanned system assessment and manned (human-in-loop) assessment of system interface and team interactions. These are relatively generic models with built-in flexibility which allows modification of some model parameters. These models have great potential for improving the efficiency and effectiveness of system design, test, and evaluation. However, the extent of the practical utility of these models is unclear. Initial verification efforts comparing model performance within the simulation to actual human operators on a similar, independent simulation have been performed and current efforts are directed at comparing human and model performance within the same simulation environment.

Patterson, Robert W.↗
NASA NTRS1992

The 12-foot pressure wind tunnel restoration project model support systems

The 12 Foot Pressure Wind Tunnel is a variable density, low turbulence wind tunnel that operates at subsonic speeds, and up to six atmospheres total pressure. The restoration of this facility is of critical importance to the future of the U.S. aerospace industry. As part of this project, several state of the art model support systems are furnished to provide an optimal balance between aerodynamic and operational efficiency parameters. Two model support systems, the Rear Strut Model Support, and the High Angle of Attack Model Support are discussed. This paper covers design parameters, constraints, development, description, and component selection.

Sasaki, Glen E.↗
DOE OSTI2024

Recent and Planned Improvements to the System Advisor Model (SAM)

This talk will focus on recent and planned modeling improvements to the NREL System Advisor ModelTM (SAM), with recently released features including PV hourly clipping correction, expanded geographic scope of SAM's NSRDB interface to Europe and Africa, and additional options for hybrids. Upcoming improvements include a case comparison feature, improved visualizations, and extensions of PVWatts for battery modeling and utility rate calculations.

batteries↗
DOE OSTI2021

Heuristic Dispatch Based on Price Signals for Behind-the-Meter PV-Battery Systems in the System Advisor Model: Preprint

The economic potential of a behind-the-meter (BTM) PV-battery system depends greatly on how the battery is dispatched. Different utility rates, system sizes, generation and load profiles can all require different dispatch strategies. This paper presents price signals dispatch, a new algorithm for automated economic dispatch of BTM PV-battery systems, which utilizes 24-hour PV and load forecasts, degradation data, and utility rates. The algorithm is integrated with the System Advisor Model (SAM) tool and is tested with a nonlinear generic electrochemical battery model. Price signals dispatch outperforms SAM’s existing algorithms in cases requiring a balance between demand charge management and energy arbitrage, and in cases where battery degradation imposes a significant cost.

41 EE - Solar Energy Technologies Office (EE-4S)↗
NASA NTRS2021

Future Model-Based Systems Engineering Vision and Strategy Bridge for NASA

A vision for the future of model-based systems engineering (MBSE) at NASA in 2029 and a strategy bridge towards that future are presented. Strategic thinking and leading change concepts were used to analyze reports and presentations on global trends and visionary thinking about the future of systems and digital engineering. The context, strategic time horizon, stakeholders, strategic challenges, strategic advantages, driving forces, and opportunities were considered. The analysis resulted in a future vision of MBSE that shows what NASA systems engineers and digital machines will do to perform rapid, extraordinary, and unprecedented missions. The NASA systems engineer, in this future vision, works with a global project team in a virtual and collaborative environment, engineers the system, and uses digital approaches as the routine and default way of working. The digital machines provide data-driven and automated mission designs; have a backbone of program and project management, systems engineering, and product life-cycle management; and are a knowledge-sharing infrastructure. The NASA systems engineer and the systems engineering team are envisioned to use digital machines to plan and perform rapid exploration missions, develop a digital twin that lasts across the life cycle, and develop enduring and adaptable systems. NASA has an engineering enterprise and a life-cycle management framework that endure, adapt, and respond. A strategy bridge based on the Baldrige Criteria for Performance Excellence Framework and lessons learned from a recent MBSE initiative illuminates a way forward from today to this desired future. The bridge lays out a strategy for leaders and recommends investments of today for immediate benefits and for benefits in 2029.

model-based systems engineering, digital engineeri↗
DOE OSTI2021

Moving Beyond the Standard of Care: Accelerate Testing of Radiation-Drug Combinations

Radiation therapy is a major treatment modality used in > 60% of cancer patients as definitive local treatment for inoperable locoregionally confined tumors and as palliative therapy. Although cytotoxic chemotherapy enhances the effectiveness of treatment, the benefit over radiation therapy alone is modest. There is a need to enhance the effectiveness of local tumor control over what sequentially or concurrently administered cytotoxic chemotherapy provides. Although many biological pathways are known to enhance the effectiveness of radiation therapy, there is currently a paucity of drugs approved for use in combination. Several clinical trials have tested the effectiveness of combining targeted agents or immunotherapies with radiation therapy, but the results of these trials have been negative, likely stemming from the relative lack of preclinical evidence using appropriate experimental standardization or model systems. Accelerating the identification of agents tested in an appropriate clinical context and experimental systems or models would greatly enhance the potential to bring forward early testing of drugs that would not only be safe but also more effective. This article provides an overview of the opportunities and challenges of developing therapeutics to combine with radiation therapy, and some guidance toward preclinical and early clinical testing to improve the chance that advanced phase testing of drug-radiation combinations would be successful in the long term.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Information content of spatially distributed ground-based measurements for hydrologic-parameter calibration in mixed rain-snow mountain headwaters

Parameters in hydrologic models used in mixed rain-snow regions are often uncertain to calibrate and overfitted on streamflow. To contribute addressing these challenges, we used an algorithm that assesses modeling performances through time (Dynamic Identifiability Analysis) to quantify the information content of spatially distributed ground-based measurements for identifying optimal parameter values in the Precipitation Runoff Modeling System (PRMS) model. Including spatially distributed ground-based measurements in Identifiability Analysis allowed us to unambiguously estimate more parameter values than only using streamflow (seven parameters instead of two out of a pool of thirty-three). Peaks in information gain were obtained when using dew-point temperature to identify precipitation phase-partitioning parameters. Multi-attribute identifiability analysis also yielded optimal parameter values that were temporally less variable than those estimated using streamflow alone. Overall, identifying parameter values using ground-based measurements improved the simulation of key drivers of the surface-water budget, such as air temperature and precipitation-phase partitioning. However, parameters simulating surface-to-subsurface mass fluxes like snow accumulation and melt or evapotranspiration were poorly identified by any attribute and so emerged as key sources of predictive uncertainty for this distributed-parameter hydrologic model. In conclusion, this work demonstrates the value of expanded ground-based measurements for identifying parameters in distributed-parameter hydrologic models and so diagnosing their conceptual uncertainty across the water budget.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Resiliency-based restoration optimization for dependent network systems against cascading failures

Due to the increasing importance of large-scale and complex network systems and the potential for massive cascading failures in these real-world systems, modeling of system resiliency and optimization of restoration strategies to mitigate system performance loss caused by diverse disruptions is of significant interest among researchers and practitioners. Although society has experienced many incidents that demonstrate the influence of cascading failures aggravated by dependencies inside network systems, existing resiliency-based restoration optimization research rarely if ever jointly considers the impact of system dependencies on cascading failures. In this paper, different restoration prioritization strategies are applied to network systems subject to cascading failures that take into account system dependencies. By conducting case studies on synthetic networks and the U.S. airport network system, the effects of restoration strategies are evaluated using a system resiliency metric and two system performance measurements. Furthermore, the influence of system dependency characteristics and the interplay between them and restoration strategies on system resiliency regarding cascading failures are also investigated. This work demonstrates the distinct effects of restoration prioritization actions against cascading failures to mitigate the performance loss in network systems with different properties. It also provides insights about restoration improvement by considering dependency impacts to effectively reduce the intensity and extent of cascading failures.

42 ENGINEERING↗
DOE OSTI2015

Electron Detachment as a Probe of Intrinsic Nucleobase Dynamics in Dianion-Nucleobase Clusters: Photoelectron Spectroscopy of the Platinum II Cyanide Dianion Bound to Uracil, Thymine, Cytosine and Adenine

We report the first low-temperature photodetachment photoelectron spectra of isolated gas-phase complexes of the platinum II cyanide dianion bound to nucleobases. These systems are model systems for understanding platinum-complex photodynamic therapies, and knowledge of the intrinsic photodetachment properties is crucial for understanding their broader photophysical properties. Well-resolved, distinct peaks are observed in the spectra consistent with the complexes where the Pt(CN)42- moiety is largely intact. The adiabatic electron detachment energies for the dianion-nucleobase complexes are measured to be between 2.39-2.46 eV. The magnitudes of the repulsive Coulomb barriers of the complexes are estimated to be between 1.9 and 2.1 eV, values that are lower than for the bare Pt(CN)42- dianion as a result of charge solvation by the nucleobases. In addition to the resolved spectral features, broad featureless bands indicative of delayed electron detachment are observed in the 193 nm photodetachment spectra of the four nucleobase-dianion complexes, and also in the 266 nm spectra of the Pt(CN)42-∙thymine and Pt(CN)42-∙adenine complexes. The selective excitation of these features in the 266 nm spectra is attributed to one-photon excitation of [Pt(CN)42-∙T]* and [Pt(CN)42-∙A]* long-lived excited states that can effectively couple to the electron detachment continuum, producing strong electron detachment signals. We attribute the resonant electron detachment bands observed here for Pt(CN)42-∙T and Pt(CN)42-∙A but not for Pt(CN)42-∙U and Pt(CN)42-∙C to fundamental differences in the individual nucleobase photophysics following 266 nm excitation. This indicates that the Pt(CN)42- dianion in the Pt(CN)42-∙M clusters can be viewed as a “dynamic tag” which has the propensity to emit electrons when the attached nucleobase disaplys a long-lived excited state.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2022

A Hybrid Quantum–Classical Study of Ion Adsorption at the Copper Electrode

Here, we present a set of computational studies that surveys the molecular structure and thermodynamics of simple ions at the electrode–electrolyte interface. A hybrid quantum–classical approach is used to obtain free energy profiles and solvent structure as a function of the ion’s position relative to the electrochemical liquid/solid interface and system potential. Model systems consist of a copper electrode and single halide or alkali metal ion in contact with an implicit solvent and reveal new insights into the interplay of forces that drive or resist ion absorption at the electrode/ electrolyte interface. We also expand on subtleties of absorption site preference and describe the complex relationship between the energetic barrier to absorption and the ion–electrode binding energy as a function of electrode potential.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Ultrafast Electron Transfer in Au-Cyanobacteria Hybrid for Solar to Chemical Production

The rise of inorganic-biohybrid organisms for solar-to-chemical production has spurred mechanistic investigations into the dynamics of the biotic-abiotic interface to drive the development of next-generation hybrid systems. The model system, cyanobacteria-gold nanoparticle hybrids, combines a light harvester with a photosynthetic bacterium to drive the reduction of CO2 to glycerol with improved efficiency and increased glycerol production by 14.6%, in comparison to cyanobacteria only. In this work, we report insights into this unique photochemical behavior and propose a charge-transfer pathway from Au nanoparticle to cyanobacteria. Transient absorption (TA) spectroscopy revealed that photoexcited electron transfer rates are on the order of a few ps to the potential electron acceptor in photosystem II. This work represents a promising platform to utilize a conventional spectroscopic methodology to extract insights from more complex biotic-abiotic hybrid systems.

charge transfer↗
DOE OSTI2017

Tunable Cu Enrichment Enables Designer Syngas Electrosynthesis from CO 2

Using renewable energy to recycle CO 2 provides an opportunity to both reduce net CO 2 emissions and synthesize fuels and chemical feedstocks. It is of central importance to design electrocatalysts that both are efficient and can access a tunable spectrum of products. Syngas, a mixture of carbon monoxide (CO) and hydrogen (H 2 ), is an important chemical precursor that can be converted downstream into small molecules or larger hydrocarbons by fermentation or thermochemistry. Many processes that utilize syngas require different syngas compositions: we therefore pursued the rational design of a family of electrocatalysts that can be programmed to synthesize different designer syngas ratios. We utilize in situ surface-enhanced Raman spectroscopy and first-principles density functional theory calculations to develop a systematic picture of CO* binding on Cu-enriched Au surface model systems. Insights from these model systems are then translated to nanostructured electrocatalysts, whereby controlled Cu enrichment enables tunable syngas production while maintaining current densities greater than 20 mA/cm 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Spectroscopic elucidation of energy transfer in hybrid inorganic–biological organisms for solar-to-chemical production

We present that the rise of inorganic–biological hybrid organisms for solar-to-chemical production has spurred mechanistic investigations into the dynamics of the biotic–abiotic interface to drive the development of next-generation systems. The model system, Moorella thermoacetica–cadmium sulfide (CdS), combines an inorganic semiconductor nanoparticle light harvester with an acetogenic bacterium to drive the photosynthetic reduction of CO 2 to acetic acid with high efficiency. In this work, we report insights into this unique electrotrophic behavior and propose a charge-transfer mechanism from CdS to M. thermoacetica. Transient absorption (TA) spectroscopy revealed that photoexcited electron transfer rates increase with increasing hydrogenase (H 2 ase) enzyme activity. On the same time scale as the TA spectroscopy, time-resolved infrared (TRIR) spectroscopy showed spectral changes in the 1,700–1,900-cm -1 spectral region. The quantum efficiency of this system for photosynthetic acetic acid generation also increased with increasing H 2 ase activity and shorter carrier lifetimes when averaged over the first 24 h of photosynthesis. However, within the initial 3 h of photosynthesis, the rate followed an opposite trend: The bacteria with the lowest H 2 ase activity photosynthesized acetic acid the fastest. These results suggest a two-pathway mechanism: a high quantum efficiency charge-transfer pathway to H 2 ase generating H 2 as a molecular intermediate that dominates at long time scales (24 h), and a direct energy-transducing enzymatic pathway responsible for acetic acid production at short time scales (3 h). Lastly, this work represents a promising platform to utilize conventional spectroscopic methodology to extract insights from more complex biotic–abiotic hybrid systems.

14 SOLAR ENERGY↗
DOE OSTI2019

Decentralized Carrier Interleaving in Cascaded Multilevel DC-AC Converters: Preprint

Cascaded dc-ac converters with interleaved carriers are commonly used in applications where elevated voltages and low-distortion multilevel waveforms are needed. Example applications include modular multilevel converters and solid-state transformers. In such systems, carrier interleaving is generally achieved via communication among the stacked converters or a centralized controller. Due to the large number of converters in such a system, existing approaches entail significant wiring complexity and communication may limit resilience to failures. In this paper, we introduce a control strategy which achieves communication-free carrier interleaving among series-connected converters. The proposed controller is embedded within each converter control loop and only requires measurements available at each set of converter terminals. We formulate a dynamic system model and show that the system converges to the interleaved condition irrespective of the number of converters in the stack. After outlining a practical method for digital implementation, experiments are shown on a hardware-in-the-loop setup.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2014

Radiation response of inorganic scintillators: Insights from Monte Carlo simulations

The spatial and temporal scales of hot particle thermalization in inorganic scintillators are critical factors determining the extent of second- and third-order nonlinear quenching in regions with high densities of electron-hole pairs, which, in turn, leads to the light yield nonproportionality observed, to some degree, for all inorganic scintillators. Therefore, kinetic Monte Carlo simulations were performed to calculate the distances traveled by hot electrons and holes as well as the time required for the particles to reach thermal energy following γ-ray irradiation. CsI, a common scintillator from the alkali halide class of materials, was used as a model system. Two models of quasi-particle dispersion were evaluated, namely, the effective mass approximation model and a model that relied on the group velocities of electrons and holes determined from band structure calculations. Both models predicted rapid electron-hole pair recombination over short distances (a few nanometers) as well as a significant extent of charge separation between electrons and holes that did not recombine and reached thermal energy. However, the effective mass approximation model predicted much longer electron thermalization distances and times than the group velocity model. Comparison with limited experimental data suggested that the group velocity model provided more accurate predictions. Nonetheless, both models indicated that hole thermalization is faster than electron thermalization and thus is likely to be an important factor determining the extent of third-order nonlinear quenching in high-density regions. The merits of different models of quasi-particle dispersion are also discussed.

Prange, Micah P.↗
DOE OSTI2014

Urban Landscape and Climate Change

A workshop on how earth system models incorporate the influences of urban environments on climate, with an emphasis on how large observation studies can be used to aid the modeling community, was held on August 27 - 28, 2013 at Argonne National Laboratory. The goal of the workshop was to identify urban processes important in influencing the predictive capability of regional climate models and global earth system models, the impacts of climate change that are important for future urban centers, data available or needed to develop a representative model of urban ecosystems, and how cities can use that information to improve the lives of their residents.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Density functional modeling of the binding energies between aluminosilicate oligomers and different metal cations

Interactions between negatively charged aluminosilicate species and positively charged metal cations are critical to many important engineering processes and applications, including sustainable cements and aluminosilicate glasses. In an effort to probe these interactions, here we have calculated the pair-wise interaction energies (i.e., binding energies) between aluminosilicate dimer/trimer and 17 different metal cations M n+ (M n+ = Li + , Na + , K + , Cu + , Cu 2+ , Co 2+ , Zn 2+ , Ni 2+ , Mg 2+ , Ca 2+ , Ti 2+ , Fe 2+ , Fe 3+ , Co 3+ , Cr 3+ , Ti 4+ and Cr 6+ ) using a density functional theory (DFT) approach. Analysis of the DFT-optimized structural representations for the clusters (dimer/trimer + M n+ ) shows that their structural attributes (e.g., interatomic distances) are generally consistent with literature observations on aluminosilicate glasses. The DFT-derived binding energies are seen to vary considerably depending on the type of cations (i.e., charge and ionic radii) and aluminosilicate species (i.e., dimer or trimer). A survey of the literature reveals that the difference in the calculated binding energies between different M n+ can be used to explain many literature observations associated with the impact of metal cations on materials properties (e.g., glass corrosion, mineral dissolution, and ionic transport). Analysis of all the DFT-derived binding energies reveals that the correlation between these energy values and the ionic potential and field strength of the metal cations are well captured by 2nd order polynomial functions ( R 2 values of 0.99–1.00 are achieved for regressions). Given that the ionic potential and field strength of a given metal cation can be readily estimated using well-tabulated ionic radii available in the literature, these simple polynomial functions would enable rapid estimation of the binding energies of a much wider range of cations with the aluminosilicate dimer/trimer, providing guidance on the design and optimization of sustainable cements and aluminosilicate glasses and their associated applications. Finally, the limitations associated with using these simple model systems to model complex interactions are also discussed.

Gong, Kai↗