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Results for “Model based development”

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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Numerical model-based diagnostic study of the rapid development phase of the Presidents' Day cyclone

A mesoscale model simulation of the Presidents' Day cyclone at 1200 GMT 18 February 1979 is presented which captures the upper-tropospheric intrusion of stratospheric air upstream of the East Coast and subsequent development of the surface cyclone. The model simulation is then used to examine the descent of the stratospheric air mass and the interaction of this air mass with a lower-tropospheric potential vorticity maximum associated with an inverted trough and coastal front along the East Coast. The model is also used to examine the processes that contribute to the rapid decrease of sea-level pressure and increase in lower-tropospheric cyclonic vorticity during the explosive development phase of the cyclone.

Whitaker, Jeffrey S.↗
NASA NTRS2013

Testing the Empirical Shock Arrival Model Using Quadrature Observations

The empirical shock arrival (ESA) model was developed based on quadrature data from Helios (in situ) and P-78 (remote sensing) to predict the Sun-Earth travel time of coronal mass ejections (CMEs). The ESA model requires earthward CME speed as input, which is not directly measurable from coronagraphs along the Sun-Earth line. The Solar Terrestrial Relations Observatory (STEREO) and the Solar and Heliospheric Observatory (SOHO) were in quadrature during 20102012, so the speeds of Earth-directed CMEs were observed with minimal projection effects. We identified a set of 20 full halo CMEs in the field of view of SOHO that were also observed in quadrature by STEREO. We used the earthward speed from STEREO measurements as input to the ESA model and compared the resulting travel times with the observed ones from L1 monitors. We find that the model predicts the CME travel time within about 7.3 h, which is similar to the predictions by the ENLIL model. We also find that CME-CME and CME-coronal hole interaction can lead to large deviations from model predictions.

CMEs↗
DOE OSTI2021

A study on computational fluid dynamics modeling of a refrigerated container for COVID-19 vaccine distribution with experimental validation

A key issue with the distribution of vaccines to prevent COVID-19 is the temperature level required during transport, storage, and distribution. Typical refrigerated transport containers can provide a temperature-controlled environment down to -30 °C. However, the Pfizer vaccine must be carefully transported and stored under a lower temperature between -80 °C and -60 °C. One way to provide the required temperature is to pack the vaccine vials into small packages containing dry ice. Dry ice sublimates from a solid to a gas, which limits the allowable transport duration. This can be mitigated by transporting in a -30 °C refrigerated container. Moreover, because the dry ice will sublimate and thereby release CO 2 gas into the transport container, monitoring the CO 2 concentration within the refrigerated container is also essential. In the present work, a 3D computational fluid dynamics model was developed based on a commercially available refrigerated container and validated with experimental data. The airflow, temperature distribution, and CO 2 concentration within the container were obtained from the simulations. The modeling results can provide guidance on preparing experimental setups, thus saving time and lowering cost, and also provide insight into safety precautions needed to avoid hazardous conditions associated with the release of CO 2 during vaccine distribution.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

PemNet: A Transfer Learning-Based Modeling Approach of High-Temperature Polymer Electrolyte Membrane Electrochemical Systems

Widespread adoption of high-temperature electrochemical systems such as polymer electrolyte membrane fuel cells (HT-PEMFCs) requires models and computational tools for accurate optimization and guiding new materials for enhancing fuel cell performance and durability. Furthermore, while robust and better suited for extrapolation, knowledge-based modeling has limitations as it is time-consuming and requires information about the system that is not always available (e.g., material properties and interfacial behavior between different materials). Data-driven modeling, on the other hand, is easier to implement but often necessitates large datasets that could be difficult to obtain. In this contribution, knowledge-based modeling and data-driven modeling are combined by implementing a few-shot learning (FSL) approach. A knowledge-based model originally developed for a HT-PEMFCs was used to generate simulated data (887,735 points) and used to pretrain a neural network source model tuned via a genetic algorithm-based AutoML. Then, experimental datasets from HT-PEMFCs with different materials and operating conditions (~50 points each) were used to train six target models via FSL. Models for the unseen data reached high accuracies in all cases (rRMSE < 10%).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2013

Huge critical current density and tailored superconducting anisotropy in SmFeAsO0.8F0.15 by low-density columnar-defect incorporation

Iron-based superconductors could be useful for electricity distribution and superconducting magnet applications because of their relatively high critical current densities and upper critical fields. SmFeAsO0.8F0.15 is of particular interest as it has the highest transition temperature among these materials. Here we show that by introducing a low density of correlated nano-scale defects into this material by heavy-ion irradiation, we can increase its critical current density to up to 2 × 107 A cm-2 at 5 K—the highest ever reported for an iron-based superconductor—without reducing its critical temperature of 50 K. We also observe a notable reduction in the thermodynamic superconducting anisotropy, from 8 to 4 upon irradiation. We develop a model based on anisotropic electron scattering that predicts that the superconducting anisotropy can be tailored via correlated defects in semimetallic, fully gapped type II superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Machine Learning for Turbulence Modeling

This work was conducted as part of a Harry S. Truman Fellowship Laboratory Directed Research and Development project. The goal was to use machine learning methods to provide uncertainty quantification and model improvements for Reynolds Averaged Navier Stokes (RANS) turbulence models. For applications of interest in energy, safety, and security, it is critical to be able to model turbulence accurately. Current RANS models are unreliable for many flows of engineering relevance. Machine learning provides an avenue for developing improved models based on the data generated by high fidelity simulations. In this project, machine learning methods were used to predict when current RANS models would fail. They were also used to develop improved RANS closure models. A key aim was developing a tight feedback loop between scientific domain knowledge and data driven methods. To this end, a methodology for incorporating known invariance constraints into the machine learning models was proposed and evaluated. This work demonstrated that incorporating known constraints into the data driven models provided improved performance and reduced computational cost. This research represents one of the first applications of deep learning to turbulence modeling.

42 ENGINEERING↗
NASA NTRS1994

A Chemical Containment Model for the General Purpose Work Station

Contamination control is a critical safety requirement imposed on experiments flying on board the Spacelab. The General Purpose Work Station, a Spacelab support facility used for life sciences space flight experiments, is designed to remove volatile compounds from its internal airpath and thereby minimize contamination of the Spacelab. This is accomplished through the use of a large, multi-stage filter known as the Trace Contaminant Control System. Many experiments planned for the Spacelab require the use of toxic, volatile fixatives in order to preserve specimens prior to postflight analysis. The NASA-Ames Research Center SLS-2 payload, in particular, necessitated the use of several toxic, volatile compounds in order to accomplish the many inflight experiment objectives of this mission. A model was developed based on earlier theories and calculations which provides conservative predictions of the resultant concentrations of these compounds given various spill scenarios. This paper describes the development and application of this model.

Flippen, Alexis A.↗
NASA NTRS1979

An averaging battery model for a lead-acid battery operating in an electric car

A battery model is developed based on time averaging the current or power, and is shown to be an effective means of predicting the performance of a lead acid battery. The effectiveness of this battery model was tested on battery discharge profiles expected during the operation of an electric vehicle following the various SAE J227a driving schedules. The averaging model predicts the performance of a battery that is periodically charged (regenerated) if the regeneration energy is assumed to be converted to retrievable electrochemical energy on a one-to-one basis.

Bozek, J. M.↗
NASA NTRS1991

Production of impact melt in craters on Venus, Earth, and the moon

Impact craters imaged by Magellan clearly show large amounts of flow-like ejecta whose morphology suggests that the flows comprise low-viscosity material. It was suggested that this material may be either turbidity flows or very fine-grained ejecta, flows of ejecta plus magma, or impact melts. The last of these hypotheses is considered. If these flows are composed of impact melts, there is much more melt relative to the crater volume than is observed on the moon. The ANEOS equation of state program was used for dunite to estimate the shock pressures required for melting, with initial conditions appropriate for Venus, Earth, and the moon. A simple model was then developed, based on the Z-model for excavation flow and on crater scaling relations that allow to estimate the ratio of melt ejecta to total ejecta as a function of crater size on the three bodies.

Vickery, A. M.↗
NASA NTRSDate not supplied

Simulating Ordinary Chondrite (Tamdakht) Ablation at the Hypersonic Materials Environmental Test System (HyMETS) Facility.

NASA’s Science Mission Directorate (SMD) created the Asteroid Threat Assessment Project (ATAP) to inform decision-makers of risks associated with Potentially Hazardous Objects (PHOs), which may pose an existential threat to human civilization. ATAP assesses risk, in part, by developing analytical physics-based damage models which draw upon data collected during material property characterization efforts, entry simulations, hazard simulations, and ground-based arc-jet testing. Therefore, a pathfinder test campaign was con-ducted at the Hypersonic Materials Environmental Test System (HyMETS) at the NASA Langley Re-search Center to investigate the ablation mechanisms of an ordinary chondrite (Tamdakht H5) and a terrestrial analog (basalt). The HyMETS facility is a 400 kW constricted arc heater used to screen material performance under simulated aerothermal conditions of hypersonic flow.1 Facility conditions were chosen to simulate Earth entry conditions be-tween the upper-mesosphere and the lower thermo-sphere. The ablation mechanisms of Tamdakht and bas-alt are illustrated with still images collected from high-speed video cameras (fig. 1, Tamdakht). Tamdakht produces a relatively stable melt flow, as evidenced by the perpetual growth of a flange at the sidewall and the exiguous detachment of molten material into the flow. Furthermore, an inspection of high-speed video and chemical analysis of the post-test melt layer suggests that the dominant mode of mass loss for Tamdakht, at these test conditions, is expressed through the vaporization of volatiles (e.g., iron, potassium, sodium, phosphorus, and sulfur). The vaporization rates of Tamdakht are greater than basalt under the most extreme test conditions, which leads to an enhanced blowing layer, in-creased thermal shielding, and reduced recession. The ablation mechanisms of basalt are markedly different from Tamdakht and are attributed to the presence of hydrated minerals dispersed at irregular intervals throughout the silicate matrix. Rapid de-composition of secondary minerals and the subsequent formation of water lead to the ejection of the subsurface and overlying melt layer. Furthermore, the presence of water is suspected of lowering the viscosity of the melt layer resulting in increased mass loss near the edge of the test article where drag forces overcome rheological properties (fig. 1, bas-alt). Finally, the results will be discussed in the broader context of meteorite-based material response model development and the potential impact on the Asteroid Threat Assessment Project (ATAP).

Brody K. Bessire↗
DOE OSTI2023

Preliminary Development of Heat Transfer Model-Based Control Algorithms of Liquid Sodium Purification System: Advanced Sensors and Instrumentation Advanced Controls

Monitoring the operation of sodium purification system is essential for efficient operation of sodium fast reactors. In this work, a heat transfer model has been developed for monitoring the plugging meter and cold trap systems at the Mechanisms Engineering Test Loop (METL) liquid sodium facility at Argonne National Laboratory. The model of the purification system was developed by treating the respective aspects of the cold trap purification loop and plugging meter diagnostic loop as two separate control volumes using information from the METL piping and instrumentation diagram (P&ID). A model predictive controller was designed using first order differential equations with the specified boundary conditions. The system behavior was studied with a tuned optimized procedure using the internal cold trap temperature and plugging meter outlet temperature as control variables, and the air blower temperature as an independent variable respectively. Results of computer simulations obtained in this study compared favorably with experimental data showing very good reference tracking response with negligible overshoot as both plugging meter and cold trap physical models approach the setpoint.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Length scales and scale-free dynamics of dislocations in dense solid solutions

The fundamental interactions between an edge dislocation and a random solid solution are studied by analyzing dislocation line roughness profiles obtained from molecular dynamics simulations of Fe 0.70 Ni 0.11 Cr 0.19 over a range of stresses and temperatures. These roughness profiles reveal the hallmark features of a depinning transition. Namely, below a temperature-dependent critical stress, the dislocation line exhibits roughness in two different length scale regimes which are divided by a so-called correlation length. This correlation length increases with applied stress and at the critical stress (depinning transition or yield stress) formally goes to infinity. Above the critical stress, the line roughness profile converges to that of a random noise field. Motivated by these results, a physical model is developed based on the notion of coherent line bowing over all length scales below the correlation length. Above the correlation length, the solute field prohibits such coherent line bow outs. Using this model, we identify potential gaps in existing theories of solid solution strengthening and show that recent observations of length-dependent dislocation mobilities can be rationalized.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Thermospheric dynamics - A system theory approach

A system theory approach to thermospheric modeling is developed, based upon a linearization method which is capable of preserving nonlinear features of a dynamical system. The method is tested using a large, nonlinear, time-varying system, namely the thermospheric general circulation model (TGCM) of the National Center for Atmospheric Research. In the linearized version an equivalent system, defined for one of the desired TGCM output variables, is characterized by a set of response functions that is constructed from corresponding quasi-steady state and unit sample response functions. The linearized version of the system runs on a personal computer and produces an approximation of the desired TGCM output field height profile at a given geographic location.

Codrescu, M.↗
NASA NTRS1991

Development of braided rope seals for hypersonic engine applications. II - Flow modeling

Two models based on the Kozeny-Carmen equation were developed to analyze the fluid flow through a new class of braided rope seals under development for advanced hypersonic engines. A hybrid seal geometry consisting of a braided sleeve and a substantial amount of longitudinal fibers with high packing density was selected for development based on its low leakage rates. The models developed allow prediction of the gas leakage rate as a function of fiber diameter, fiber packing density, gas properties, and pressure drop across the seal.

Mutharasan, Rajakkannu↗
NASA NTRS1981

Evaluating the effectiveness of case method instruction in technical communication

The effectiveness of the case method as an instructional technique in improving technical writing was evaluated. The development of a self-report instrument that attempts to measure changes in attitude toward technical communication and the presentation results change are the purpose of this paper. Standards for developing a case set forth by Goldstein and Couture, were used to design an evaluation instrument to measure the effect instruction on student attitude toward technical communication. This self-report instrument is based on model developed and tested by Daly and Miller who studied writer attitude and apprehension toward writing. It was the most important objective of any evaluation is to provide information for improving the program.

Feinberg, S. G.↗
DOE OSTI2026

Best practices in software development for robust and reproducible geoscientific models based on insights from the Global Carbon Budget's dynamic vegetation models

Computational models play an increasingly vital role in scientific research by enabling the numerical simulation of complex processes. Such models are also fundamental in geosciences. For instance, they offer critical insights into the impacts of global change on the Earth system today and in the future. Beyond their value as research tools, models are also software products and should therefore adhere to certain established software engineering standards. However, scientists are rarely trained as software developers, which can lead to potential deficiencies in software quality like unreadable, inefficient, or erroneous code. The complexity of models, coupled with their integration into broader workflows, also often makes it challenging to reproduce results, evaluate processes, and build upon them. In this paper, we review the state and current practices of the development processes of the state-of-the-art land surface models used by the Global Carbon Budget. We combine the experience of modelers from the respective research groups with the expertise of software engineers from tech companies to outline key principles and tools for improving software quality in research. We explore four main areas: (1) model testing and validation, (2) scientific, technical, and user documentation, (3) version control, continuous integration, and code review, and (4) the portability and reproducibility of workflows. Our review reveals that while modeling communities are incorporating many best practices, significant room for improvement remains in areas such as automated testing, automated documentation, and reproducibility. Therefore, we here identify and promote essential software engineering practices, including numerous examples of practices from within the community that can serve as guidelines for other models and could help streamline processes across the entire community. We conclude with an open-source example implementation of these principles, demonstrating portable and reproducible data flows, a continuous integration setup, and web-based visualizations. This example may serve as a practical resource for model developers, users, and all scientists engaged in scientific programming.

Gregor, Konstantin [Technical Univ. of Munich (Ger↗
DOE OSTI2017

Predicting Transport of 3,5,6-Trichloro-2-Pyridinol Into Saliva Using a Combination Experimental and Computational Approach

A combination experimental and computational approach was developed to predict chemical transport into saliva. A serous-acinar chemical transport assay was established to measure chemical transport with non-physiological (standard cell culture medium) and physiological (using surrogate plasma and saliva medium) conditions using 3,5,6-trichloro-2-pyridinol (TCPy) a metabolite of the pesticide chlorpyrifos. High levels of TCPy protein binding was observed in cell culture medium and rat plasma resulting in different TCPy transport behaviors in the two experimental conditions. In the non-physiological transport experiment, TCPy reached equilibrium at equivalent concentrations in apical and basolateral chambers. At higher TCPy doses, increased unbound TCPy was observed, and TCPy concentrations in apical and basolateral chambers reached equilibrium faster than lower doses, suggesting only unbound TCPy is able to cross the cellular monolayer. In the physiological experiment, TCPy transport was slower than non-physiological conditions, and equilibrium was achieved at different concentrations in apical and basolateral chambers at a comparable ratio (0.034) to what was previously measured in rats dosed with TCPy (saliva:blood ratio: 0.049). A cellular transport computational model was developed based on TCPy protein binding kinetics and accurately simulated all transport experiments using different permeability coefficients for the two experimental conditions (1.4 vs 0.4 cm/hr for non-physiological and physiological experiments, respectively). The computational model was integrated into a physiologically based pharmacokinetic (PBPK) model and accurately predicted TCPy concentrations in saliva of rats dosed with TCPy. Overall, this study demonstrates an approach to predict chemical transport in saliva potentially increasing the utility of salivary biomonitoring in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Localization landscape theory of disorder in semiconductors. II. Urbach tails of disordered quantum well layers

Urbach tails in semiconductors are often associated to effects of compositional disorder. The Urbach tail observed in InGaN alloy quantum wells of solar cells and LEDs by biased photocurrent spectroscopy is shown to be characteristic of the ternary alloy disorder. The broadening of the absorption edge observed for quantum wells emitting from violet to green (indium content ranging from 0% to 28%) corresponds to a typical Urbach energy of 20 meV. A three-dimensional absorption model is developed based on a recent theory of disorder-induced localization which provides the effective potential seen by the localized carriers without having to resort to the solution of the Schrödinger equation in a disordered potential. This model incorporating compositional disorder accounts well for the experimental broadening of the Urbach tail of the absorption edge. For energies below the Urbach tail of the InGaN quantum wells, type-II well-to-barrier transitions are observed and modeled. This contribution to the below-band-gap absorption is particularly efficient in near-ultraviolet emitting quantum wells.When reverse biasing the device, the well-to-barrier below-band-gap absorption exhibits a red-shift, while the Urbach tail corresponding to the absorption within the quantum wells is blue-shifted, due to the partial compensation of the internal piezoelectric fields by the external bias. The good agreement between the measured Urbach tail and its modeling by the localization theory thus demonstrates the applicability of the latter to compositional disorder effects in nitride semiconductors.

14 SOLAR ENERGY↗