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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Phase transformation kinetics model for metals

We develop a new model for phase transformation kinetics in metals by generalizing the Levitas–Preston (LP) phase field model of martensite phase transformations (see Levitas and Preston (2002a,b) and Levitas et al. (2003)) to arbitrary pressure. Furthermore, we account for and track: the interface speed of the pressure-driven phase transformation, properties of critical nuclei, as well as nucleation at grain sites and on dislocations and homogeneous nucleation. The volume fraction evolution of each phase is described by employing KJMA (Kolmogorov, 1937; Johnson and Mehl, 1939; Avrami, 1939, 1940, 1941) kinetic theory. We then test our new model for iron under ramp loading conditions and compare our predictions for the α → ϵ iron phase transition to experimental data of Smith et al. (2013). In conclusion, more than one combination of material and model parameters (such as dislocation density and interface speed) led to good agreement of our simulations to the experimental data, thus highlighting the importance of having accurate microstructure data for the sample under consideration.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A Hardware-in-the-Loop Experimental Testbed Using Air Conditioners for Grid Balancing

Driven by the need to offset the variability of renewable generation on the grid, development of load control is a highly active field of research. However, practical use of residential loads for grid balancing remains rare, in part due to the cost of communicating with large numbers of small loads and also the limited experimentation done so far to demonstrate reliable operation. To establish a basis for the safe and reliable use of fleets of compressor loads as distributed energy resources, we constructed an experimental testbed in a laboratory, so that load coordination schemes could be tested at extreme conditions. Here, this experimental testbed was used to tune a simulation testbed to which it was then linked, thereby augmenting the effective size of the fleet. Modeling of the system was done both to demonstrate the experimental testbed's behavior and also to understand how to tune the behavior of each load. Implementing this testbed has enabled rapid turnaround of experiments on various load control algorithms, and year-round testing without the constraints and limitations arising in seasonal field tests with real houses. Experimental results show the practical feasibility of an ensemble of small loads contributing to grid balancing.

Air Conditioners↗
NASA NTRS1987

Transient rotor dynamic rub phenomena - Theory and test

This paper develops an implicit integration scheme for transient rotor dynamic rub prediction and includes a correlation study with actual test results. A Nordsieck-like numerical integration scheme is applied directly to the second-order equations of motion. The assumption that forces and torques on the rotor are functions of the position and velocity at the point of application and its nearest neighbor is made in order to make the computational time proportional to the number of elements in the rotor dynamics model rather than the cube of the number. The test rig consists of a turbine driven, flexible shaft supported by squeeze film dampers. The blade loss event occurs due to collision of a balance bolt on one of the disks with a high speed plunger. The rotor is seen to spiral outward and contact against a stationary assemblage of seal shoes.

Kascak, A. F.↗
DOE OSTI2025

CRCNS22 Learning Rules in the Hippocampus and their Mapping to Neuromorphic Systems (Final Technical Report)

Large scale biologically-realistic computational models are key to investigating the interplay between structure and function in nervous systems, thus paving the way to new clinical methods and neuro-inspired computing solutions. This project focuses on the hippocampus, in particular the CA3-CA1 regions, due to their role in associative learning and memory, pattern separation and completion, and spatial navigation. Investigations into the neuronal organization and learning rule(s) of this circuit can shed light into how declarative memories are formed, stored, recalled and forgotten and inform computational, experimental and clinical neuroscience work. Our project aims at developing a novel data-driven methodology supported by a broad heterogeneous base of neuroscience experimental knowledge and inspired from advances in computer science and engineering. Specifically, this work will benchmark existing and new learning rules within a full-scale spiking neural network simulation of the CA3-CA1 region. The model will be based on an open-source repository, called the Hippocampome, which contains neuronal morphologies, firing patterns, synapse probabilities, and most other required parameters for all known neuron types in the rodent hippocampal formation. The model will be first trained in a supervised fashion for associative memory tasks using backpropagation through time traditionally used in computer science, enhanced with a new technique called the surrogate gradient method. This optimization method will be used to obtain a global loss minimization, but it is not biologically inspired as it assumes the use of data not locally available to the synapses. However, we propose its use as a benchmarking tool, to compare the training performance of local biologically plausible and hardware-mappable learning rules at scale. New rules or combinations will be proposed and tested as needed, based on the obtained results. Progress in this area will also drive the development of novel hardware-mappable algorithms for continual lifelong learning and categorization of new events from few presented examples. This project goes beyond the existing state-of-the-art by looking at large scale realistic neuronal circuits as networks trainable via global optimization methods such as surrogate gradient descent. The objective function of the brain that supports learning is largely unknown, but it is likely that it operates through local learning rules. Studying network trajectories around local minima as proposed in this work represents a useful strategy for understanding whether a network is training by using a specific (set of) learning rule(s). Starting from a completely untrained network is a challenging test since it is difficult to determine how the learning rule affects the trajectory of the network. This interdisciplinary project will help understand what rule governs learning in these regions or if multiple learning rules are involved. The work will develop a robust methodology to measure if the network is converging to the target solution, oscillating around it, or diverging away.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

A framework for strategic discovery of credible neural network surrogate models under uncertainty

The widespread integration of deep neural networks in developing data-driven surrogate models for high-fidelity simulations of complex physical systems highlights the critical necessity for robust uncertainty quantification techniques and credibility assessment methodologies, ensuring the reliable deployment of surrogate models in consequential decision-making. Here, this study presents the Occam Plausibility Algorithm for surrogate models (OPAL-surrogate), providing a systematic framework to uncover predictive neural network-based surrogate models within the large space of potential models, including various neural network classes and choices of architecture and hyperparameters. The framework is grounded in hierarchical Bayesian inferences and employs model validation tests to evaluate the credibility and prediction reliability of the surrogate models under uncertainty. Leveraging these principles, OPAL-surrogate introduces a systematic and efficient strategy for balancing the trade-off between model complexity, accuracy, and prediction uncertainty. The effectiveness of OPAL-surrogate is demonstrated through two modeling problems, including the deformation of porous materials for building insulation and turbulent combustion flow for ablation of solid fuels within hybrid rocket motors.

42 ENGINEERING↗
DOE OSTI2025

Antiviral discovery using sparse datasets by integrating experiments, molecular simulations, and machine learning

Computational methods have demonstrated success in identifying virucidal agents, effectively contributing to the discovery of novel virucidal molecules. In this study, we developed a machine learning (ML) model, trained on a small dataset, to predict inhibitors of human enterovirus 71 (EV71), a pathological agent that causes severe disease in children and immunocompromised adults. Despite the dataset’s limitation, comprising of only 36 compounds tested, our ML framework demonstrated significant predictive capability. Notably, experimental validation revealed that five out of the eight compounds predicted by our model from the Chinese cosmetic material list exhibited virucidal activity. The inhibitor effects displayed by the main active compounds were further confirmed by molecular dynamics simulation. This underscores the potential of our AI-driven approach to bypass data constraints in identifying active molecules against viral pathogens.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Advanced surrogate model for electron-scale turbulence in tokamak pedestals

We derive an advanced surrogate model for predicting turbulent transport at the edge of tokamaks driven by electron temperature gradient (ETG) modes. Our derivation is based on a recently developed sensitivity-driven sparse grid interpolation approach for uncertainty quantification and sensitivity analysis at scale, which informs the set of parameters that define the surrogate model as a scaling law. Our model reveals that ETG-driven electron heat flux is influenced by the safety factor q, electron beta β e and normalized electron Debye length λ D , in addition to well-established parameters such as the electron temperature and density gradients. To assess the trustworthiness of our model's predictions beyond training, we compute prediction intervals using bootstrapping. The surrogate model's predictive power is tested across a wide range of parameter values, including within-distribution testing parameters (to verify our model) as well as out-of-bounds and out-of-distribution testing (to validate the proposed model). Overall, validation efforts show that our model competes well with, or can even outperform, existing scaling laws in predicting ETG-driven transport.

fusion plasma↗
NASA NTRS1994

Calibration of Axisymmetric and Quasi-1D Solvers for High Enthalpy Nozzles

The proposed paper will present a numerical investigation of the flow characteristics and boundary layer development in the nozzles of high enthalpy shock tunnel facilities used for hypersonic propulsion testing. The computed flow will be validated against existing experimental data. Pitot pressure data obtained at the entrance of the test cabin will be used to validate the numerical simulations. It is necessary to accurately model the facility nozzles in order to characterize the test article flow conditions. Initially the axisymmetric nozzle flow will be computed using a Navier Stokes solver for a range of reservoir conditions. The calculated solutions will be compared and calibrated against available experimental data from the DLR HEG piston-driven shock tunnel and the 16-inch shock tunnel at NASA Ames Research Center. The Reynolds number is assumed to be high enough at the throat that the boundary layer flow is assumed turbulent at this point downstream. The real gas affects will be examined. In high Mach number facilities the boundary layer is thick. Attempts will be made to correlate the boundary layer displacement thickness. The displacement thickness correlation will be used to calibrate the quasi-1D codes NENZF and LSENS in order to provide fast and efficient tools of characterizing the facility nozzles. The calibrated quasi-1D codes will be implemented to study the effects of chemistry and the flow condition variations at the test section due to small variations in the driver gas conditions.

Papadopoulos, P. E.↗
NASA NTRS2014

Development Context Driven Change Awareness and Analysis Framework

Recent work on workspace monitoring allows conflict prediction early in the development process, however, these approaches mostly use syntactic differencing techniques to compare different program versions. In contrast, traditional change-impact analysis techniques analyze related versions of the program only after the code has been checked into the master repository. We propose a novel approach, DeCAF (Development Context Analysis Framework), that leverages the development context to scope a change impact analysis technique. The goal is to characterize the impact of each developer on other developers in the team. There are various client applications such as task prioritization, early conflict detection, and providing advice on testing that can benefit from such a characterization. The DeCAF framework leverages information from the development context to bound the iDiSE change impact analysis technique to analyze only the parts of the code base that are of interest. Bounding the analysis can enable DeCAF to efficiently compute the impact of changes using a combination of program dependence and symbolic execution based approaches.

Sarma, Anita↗
NASA NTRS1997

High Temperature Degradation Mechanisms in Polymer Matrix Composites

Polymer matrix composites are increasingly used in demanding structural applications in which they may be exposed to harsh environments. The durability of such materials is a major concern, potentially limiting both the integrity of the structures and their useful lifetimes. The goal of the current investigation is to develop a mechanism-based model of the chemical degradation which occurs, such that given the external chemical environment and temperatures throughout the laminate, laminate geometry, and ply and/or constituent material properties, we can calculate the concentration of diffusing substances and extent of chemical degradation as functions of time and position throughout the laminate. This objective is met through the development and use of analytical models, coupled to an analysis-driven experimental program which offers both quantitative and qualitative information on the degradation mechanism. Preliminary analyses using coupled diffusion/reaction model are used to gain insight into the physics of the degradation mechanisms and to identify crucial material parameters. An experimental program is defined based on the results of the preliminary analysis which allows the determination of the necessary material coefficients. Thermogravimetric analyses are carried out in nitrogen, air, and oxygen to provide quantitative information on thermal and oxidative reactions. Powdered samples are used to eliminate diffusion effects. Tests in both inert and oxidative environments allow the separation of thermal and oxidative contributions to specimen mass loss. The concentration dependency of the oxidative reactions is determined from the tests in pure oxygen. Short term isothermal tests at different temperatures are carried out on neat resin and unidirectional macroscopic specimens to identify diffusion effects. Mass loss, specimen shrinkage, the formation of degraded surface layers and surface cracking are recorded as functions of exposure time. Geometry effects in the neat resin, and anisotropic diffusion effects in the composites, are identified through the use of specimens with different aspect ratios. The data is used with the model to determine reaction coefficients and effective diffusion coefficients. The empirical and analytical correlations confirm the preliminary model results which suggest that mass loss at lower temperatures is dominated by oxidative reactions and that these reaction are limited by diffusion of oxygen from the surface. The mechanism-based model is able to successfully capture the basic physics of the degradation phenomena under a wide range of test conditions. The analysis-based test design is successful in separating out oxidative, thermal, and diffusion effects to allow the determination of material coefficients. This success confirms the basic picture of the process; however, a more complete understanding of some aspects of the physics are required before truly predictive capability can be achieved.

Cunningham, Ronan A.↗
NASA NTRS2000

Quench Module Insert (QMI) and the Diffusion Module Insert (DMI) Furnace Development

The Quench Module Insert (QMI) and the Diffusion Module Insert (DMI) are microgravity furnaces under development at Marshall Space Flight Center. The furnaces are being developed for the first Materials Science Research Rack (MSRR-1) of the Materials Science Research Facility (MSRF), one of the first International Space Station (ISS) scientific payloads. QMI is a Bridgman furnace with quench capability for studying interface behavior during directional solidification of metallic and alloy materials. DMI will be a Bridgman-Stockbarger furnace to study diffusion processes in semiconductors. The design for each insert, both QMI and DMI, is driven by specific science, operations and safety requirements, as well as by constraints arising from resource limitations, such as volume, mass and power. Preliminary QMI analysis and testing indicates that the design meets these requirements.

Crouch, Myscha R.↗
NASA NTRS2014

SLM Produced Hermetically Sealed Isolation Valve

Marshall Space Flight Center (MSFC) has developed a valve concept to replace traditional pyrotechnic driven isolation valves. This paper will describe the valve design and development process. The valve design uses a stem/wedge to support a disk inside the valve. That disk hermetically seals the pressurized fluids. A release mechanism holds the stem/wedge and a large spring in place. When required to open, a solenoid is energized and pulls the release mechanism allowing the spring to pull the stem/wedge away from the disk. Now the disk is unsupported and the pressure ruptures the disk allowing flow to the outlet of the valve. This paper will provide details of this design, describe the development testing, and show the results from the valve level tests performed. Also, a trade study is presented to show the advantages of this design to a conventional pyrotechnic based valve.

Richard, James A.↗
NASA NTRS2014

SLM Produced Hermetically Sealed Isolation Valve

Marshall Space Flight Center (MSFC) has developed a valve concept to replace traditional pyrotechnic-driven isolation valves. This paper will describe the valve design and development process. The valve design uses a stem/wedge to support a disk inside the valve. That disk hermetically seals the pressurized fluids. A release mechanism holds the stem/wedge and a large spring in place. When required to open, a solenoid is energized and pulls the release mechanism allowing the spring to pull the stem/wedge away from the disk. Now the disk is unsupported and the pressure ruptures the disk allowing flow to the outlet of the valve. This paper will provide details of this design, describe the development testing, and show the results from the valve level tests performed. Also, a trade study is presented to show the advantages of this design to a conventional pyrotechnic-based valve.

Richard, James↗
NASA NTRS2022

Application Table: A Bridge Connecting the Designing “With-The-Material” and “The-Material” Paradigms

Over the last few decades, advances in high-performance computing, new material characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. In 2016 NASA sponsored a 2040 Vision study (which appeared in 2018) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. The study envisions a cyber-physical-social ecosystem comprised of experimentally verified and validated (V & V) computational models, tools, and techniques, along with the associated digital tapestry, that impacts the entire supply chain to enable cost-effective, rapid, and revolutionary design of “fit-for-purpose” materials, components, and systems. Consequently, the development of a robust information management system that incorporates (across the full life cycle) both experimental (real data) and virtual data resulting from the application of various simulation tools (at single or multiple length scales), therefore enabling the virtual design and optimization of materials throughout their processing – internal structure – property – performance envelope, has become critical. This need is also fueled by the demands for higher efficiency in material testing; consistency, quality, and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. This is particularly true when attempting to merge ICME practices with recent additive manufacturing technology which will enable production of the resulting 2040 Vision material and structural designs. At NASA Glenn Research Center we are exploring the future of material science through the use of novel characterization methodologies, high performance computing, and recently an emphasis on integrated computational materials engineering (ICME). Herein, recent efforts to incorporate an Application Table within NASA Glenn Research Center’s ICME Granta MI database is presented. The goal is to provide a place where material and structural application information/requirements can be linked so as to marry the “design the-material” and the “design-with-material” paradigms and thereby enable application-driven design and optimization of materials and structures by providing a central location that links material processing at various length scales to the application’s performance requirements. This paper discusses the specifics of this Application Table as well as best practices and key principles for the development of a robust materials information management system to enable the 2040 Vision integrated materials and structures ecosystem. Furthermore, it presents the intended role of the Application Table in the future of ICME design of “fit-for-purpose” materials, showing the need for a well-established framework that can successfully bridge the gap between the design “the material” and design “with-the-material” paradigms.

Materials↗
NASA NTRSDate not supplied

Application Table: A Bridge Connecting the Designing “With-the-Material” and “the-Material”

Over the last few decades, advances in high-performance computing, new material characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. In 2016 NASA sponsored a 2040 Vision study (which appeared in 2018) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. The study envisions a cyber-physical-social ecosystem comprised of experimentally verified and validated (V & V) computational models, tools, and techniques, along with the associated digital tapestry, that impacts the entire supply chain to enable cost-effective, rapid, and revolutionary design of “fit-for-purpose” materials, components, and systems. Consequently, the development of a robust information management system that incorporates (across the full life cycle) both experimental (real data) and virtual data resulting from the application of various simulation tools (at single or multiple length scales), therefore enabling the virtual design and optimization of materials throughout their processing – internal structure – property – performance envelope, has become critical. This need is also fueled by the demands for higher efficiency in material testing; consistency, quality, and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. This is particularly true when attempting to merge ICME practices with recent additive manufacturing technology which will enable production of the resulting 2040 Vision material and structural designs. At NASA Glenn Research Center we are exploring the future of material science through the use of novel characterization methodologies, high performance computing, and recently an emphasis on integrated computational materials engineering (ICME). Herein, recent efforts to incorporate an Application Table within NASA Glenn Research Center’s ICME Granta MI database is presented. The goal is to provide a place where material and structural application information/requirements can be linked so as to marry the “design the-material” and the “design-with-material” paradigms and thereby enable application-driven design and optimization of materials and structures by providing a central location that links material processing at various length scales to the application’s performance requirements. This paper discusses the specifics of this Application Table as well as best practices and key principles for the development of a robust materials information management system to enable the 2040 Vision integrated materials and structures ecosystem. Furthermore, it presents the intended role of the Application Table in the future of ICME design of “fit-for-purpose” materials, showing the need for a well-established framework that can successfully bridge the gap between the design “the material” and design “with-the-material” paradigms.

Materials↗
NASA NTRS2014

Development Context Driven Change Awareness and Analysis Framework

Recent work on workspace monitoring allows conflict prediction early in the development process, however, these approaches mostly use syntactic differencing techniques to compare different program versions. In contrast, traditional change-impact analysis techniques analyze related versions of the program only after the code has been checked into the master repository. We propose a novel approach, De- CAF (Development Context Analysis Framework), that leverages the development context to scope a change impact analysis technique. The goal is to characterize the impact of each developer on other developers in the team. There are various client applications such as task prioritization, early conflict detection, and providing advice on testing that can benefit from such a characterization. The DeCAF framework leverages information from the development context to bound the iDiSE change impact analysis technique to analyze only the parts of the code base that are of interest. Bounding the analysis can enable DeCAF to efficiently compute the impact of changes using a combination of program dependence and symbolic execution based approaches.

Change Awareness↗
NASA NTRS1983

Testing a dynamical model for mid-latitude sea surface temperature anomalies

The present investigation is concerned with the development and testing of a dynamical model for sea surface temperature (SST) anomalies in the midlatitudes. The model is an extension of the stochastic forcing model, suggested by Frankignoul and Hasselmann (1977), in which SST anomalies arise naturally as a response of the slowly varying upper ocean to the rapidly varying air-sea fluxes. The conducted analysis confirms strongly the validity of this model. The results suggest that advection by mean ocean currents plays an important role in some regions. Attention is given to the governing equations, a statistical model, SST anomaly advection, heat flux anomalies, wind-driven mass transport in the mixed layer, mixed-layer depth, aspects of model testing, and the atmospheric forcing.

Frankignoul, C.↗
NASA NTRS1996

High Temperature Degradation Mechanisms in Polymer Matrix Composites

Polymer matrix composites are increasingly used in demanding structural applications in which they may be exposed to harsh environments. The durability of such materials is a major concern, potentially limiting both the integrity of the structures and their useful lifetimes. The goal of the current investigation is to develop a mechanism-based model of the chemical degradation which occurs, such that given the external chemical environment and temperatures throughout the laminate, laminate geometry, and ply and/or constituent material properties, we can calculate the concentration of diffusing substances and extent of chemical degradation as functions of time and position throughout the laminate. This objective is met through the development and use of analytical models, coupled to an analysis-driven experimental program which offers both quantitative and qualitative information on the degradation mechanism. Preliminary analyses using a coupled diffusion/reaction model are used to gain insight into the physics of the degradation mechanisms and to identify crucial material parameters. An experimental program is defined based on the results of the preliminary analysis which allows the determination of the necessary material coefficients. Thermogravimetric analyses are carried out in nitrogen, air, and oxygen to provide quantitative information on thermal and oxidative reactions. Powdered samples are used to eliminate diffusion effects. Tests in both inert and oxidative environments allow the separation of thermal and oxidative contributions to specimen mass loss. The concentration dependency of the oxidative reactions is determined from the tests in pure oxygen. Short term isothermal tests at different temperatures are carried out on neat resin and unidirectional macroscopic specimens to identify diffusion effects. Mass loss, specimen shrinkage, the formation of degraded surface layers and surface cracking are recorded as functions of exposure time. Geometry effects in the neat resin, and anisotropic diffusion effects in the composites, are identified through the use of specimens with different aspect ratios. The data is used with the model to determine reaction coefficients and effective diffusion coefficients. The empirical and analytical correlations confirm the preliminary model results which suggest that mass loss at lower temperatures is dominated by oxidative reactions and that these reaction are limited by diffusion of oxygen from the surface. The mechanism-based model is able to successfully capture the basic physics of the degradation phenomena under a wide range of test conditions. The analysis-based test design is successful in separating out oxidative, thermal, and diffusion effects to allow the determination of material coefficients. This success confirms the basic picture of the process; however, a more complete understanding of some aspects of the physics are required before truly predictive capability can be achieved.

Cunningham, Ronan A.↗