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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 361 records · Page 20

A data-driven multiscale model for reactive wetting simulations

Here, we describe a data-driven, multiscale technique to model reactive wetting of a silver–aluminum alloy on a Kovar™ (Fe-Ni-Co alloy) surface. We employ molecular dynamics simulations to elucidate the dependence of surface tension and wetting angle on the drop’s composition and temperature. A design of computational experiments is used to efficiently generate training data of surface tension and wetting angle from a limited number of molecular dynamics simulations. The simulation results are used to parameterize models of the material’s wetting properties and compute the uncertainty in the models due to limited data. The data-driven models are incorporated into an engineering-scale (continuum) model of a silver–aluminum sessile drop on a Kovar™ substrate. Model predictions of the wetting angle are compared with experiments of pure silver spreading on Kovar™ to quantify the model-form errors introduced by the limited training data versus the simplifications inherent in the molecular dynamics simulations. The paper presents innovations in the determination of “convergence” of noisy MD simulations before they are used to extract the wetting angle and surface tension, and the construction of their models which approximate physio-chemical processes that are left unresolved by the engineering-scale model. Together, these constitute a multiscale approach that integrates molecular-scale information into continuum scale models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Rayleigh-Taylor Instability: A Status Review of Experimental Designs and Measurement Diagnostics

The focus of experiments and the sophistication of diagnostics employed in Rayleigh-Taylor instability (RTI) induced mixing studies have evolved considerably over the past seven decades. The first theoretical analysis by Taylor and the two-dimensional experimental results by Lewis on RTI in 1950 examined single-mode RTI using conventional imaging techniques. Over the next 70 years, several experimental designs have been used to creating an RTI unstable interface between two materials of different densities. These early experiments though innovative, were arduous to diagnose and provided little information on the internal, turbulent structure and initial conditions of the RT mixing layer. Coupled with the availability of high-fidelity diagnostics, the experiments designed and developed in the last three decades allow detailed measurements of various turbulence statistics that have allowed broadly to validate and verify late-time nonlinear models and mix-models for buoyancy-driven flows. Besides, they have provided valuable insights to solve several long-standing disagreements in the field. Herein, this review serves as an opportunity to discuss the understanding of the RTI problem and highlight valuable insights gained into the RTI driven mixing process with a focus on low to high Atwood number (> 0.1) experiments.

42 ENGINEERING↗

Aerodynamic Shape Optimization Benchmarks with Error Control and Automatic Parameterization

Results are presented for four optimization benchmark problems posed by the AIAA Aerodynamic Design Optimization Discussion Group. The benchmarks are intended to exercise optimization frameworks on representative airfoil and wing design problems. All problems involve drag minimization subject to geometric and aerodynamic constraints. Our design approach involves two forms of adaptation. First, the shape parameterization is gradually and automatically enriched from an initially coarse search space. Second, adjoint solutions are used to drive adaptive mesh refinement to control discretization error. The error threshold is tailored so that the nest meshes, with the greatest accuracy, are used only when nearing the optimum. On the inviscid airfoil design problem, while reducing the drag by a factor of 10, we show how the combination of progressive parameterization and tiered discretization error control can dramatically accelerate the optimization. On the viscous airfoil design problem, we use inviscid analysis-driven optimization to reduce the total drag by a factor of two. Next, we improve the span efficiency factor of a wing by performing twist optimization. Finally, we optimize the Common Research Model wing, managing to hold drag roughly fixed, while targeting an initially-violated pitching moment constraint. Our approach aims to introduce greater complexity and accuracy only when necessary to improve the design, and also support a greater degree of automation.

Anderson, George R.↗

Propeller aircraft interior noise model utilization study and validation

Utilization and validation of a computer program designed for aircraft interior noise prediction is considered. The program, entitled PAIN (an acronym for Propeller Aircraft Interior Noise), permits (in theory) predictions of sound levels inside propeller driven aircraft arising from sidewall transmission. The objective of the work reported was to determine the practicality of making predictions for various airplanes and the extent of the program's capabilities. The ultimate purpose was to discern the quality of predictions for tonal levels inside an aircraft occurring at the propeller blade passage frequency and its harmonics. The effort involved three tasks: (1) program validation through comparisons of predictions with scale-model test results; (2) development of utilization schemes for large (full scale) fuselages; and (3) validation through comparisons of predictions with measurements taken in flight tests on a turboprop aircraft. Findings should enable future users of the program to efficiently undertake and correctly interpret predictions.

Pope, L. D.↗

High Performance Equilibrium Solvers for Integrated Magnetic Fusion Simulations

With the funding provided by this award, we developed numerical codes for the study of magnetically confined plasmas for fusion applications. Accordingly, our work can be divided into two separate categories: 1) the design and analysis of novel numerical methods providing high accuracy and high efficiency; 2) the study of the equilibrium and stability of magnetically confined plasmas with some of these numerical codes, as well as the study of the nature of the turbulent behavior which may arise in the presence of instabilities. We first developed new numerical schemes based on integral equation methods for the computation of steady-state magnetic configurations in fusion experiments, providing high accuracy for the magnetic field and its derivatives, which are required for stability and turbulence calculations. We employed different integral formulations depending on the application of interest: axisymmetric or non-axisymmetric equilibria, force-free or magnetohydrodynamic equilibria, fixed-boundary equilibria or free-boundary equilibria. While efficient, these methods do not yet apply to plasma boundaries which are not smooth, a situation which is fairly common in magnetic confinement experiments. To address this temporary weakness, we also constructed a new steady-state solver based on the Hybridizable Discontinuous Galerkin (HDG) method, which provides full geometric flexibility. In addition to these numerical tools focused on steady-states, we also contributed to the improvement of the speed and accuracy of codes simulating the plasma dynamics of fusion plasmas, by developing a novel velocity space representation for the efficient solution of kinetic equations, which most accurately describe the time evolution of hot plasmas in fusion experiments. Using the tools discussed above, we studied several questions pertaining to the equilibrium and stability of magnetically confined plasmas. In particular, we derived a new simple model for axisymmetric devices called tokamaks, to predict how elongated a fusion plasma can be before it becomes unstable and collapses. We also looked at the effect of the shape of the outer plasma surface on key properties of the steady-state magnetic configurations, and how these properties impact turbulence in fusion plasmas, and the corresponding transport of momentum. Likewise, we studied the role of large localized flows on the steady-state magnetic configurations, and how they may influence plasma stability and turbulence. Non-axisymmetric steady-state magnetic configurations are inherently more complex than axisymmetric steady-state configurations, and the subject of ongoing controversies regarding the regularity of the equations determining such steady-states, and their solutions. Implementing an existing NYU code in a new geometry, we studied the nature of the singularity of the solutions observed in the code, and methods to eliminate them. Our main conclusion is that by appropriately tailoring the plasma boundary, it is possible to eliminate the singularities otherwise appearing in our simulations, and to obtain steady-states which appear to be smooth. To gain further insights on incompletely understood turbulence phenomena, we proposed a new reduced model capturing most of these phenomena, which is simple enough to not require expensive numerical simulations on massive supercomputers to investigate them. We demonstrated the strong similarity between our simulations and published results obtained from computationally expensive simulations, and plan to rely on our reduced model to identify the key mechanisms determining the evolution and strength turbulent driven transport in fusion plasmas. Finally, we proposed a new framework for tokamak reactor design studies, enabling us to consider the relative merits of steady-state versus pulsed fusion reactors. We found that pulsed fusion reactors may benefit most from recent advances in magnet technology, and the availability of very high field magnets. As such, they may become more desirable than steady-state tokamak reactors for cost efficient electricity generation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

High-throughput solubility determination for data-driven materials design and discovery in redox flow battery research

Solubility is crucial for redox flow batteries because it affects their energy density. A data-driven approach based on artificial intelligence/machine learning models can accelerate the development of highly soluble redox-active materials, but the lack of relevant, large-quantity data makes accurate solubility prediction difficult. To overcome this deficiency, we developed a high-throughput experimentation process that combines a robotically controlled platform with high-throughput methodology to collect large-scale and high-quality solubility data. We demonstrate the potential utility and applicability of this high-throughput process by measuring the aqueous and non-aqueous solubilities of redox-active materials and studying the effect of additives on their solubilities for both aqueous and non-aqueous redox flow battery applications. A redox flow battery based on our optimized negative electrolyte formulation and a ferrocyanide-positive electrolyte offers highly stable performance over 18 days (>100 cycles) with consistent capacity and a 24% boost in energy density.

25 ENERGY STORAGE↗

Electrothermally Driven Reconfiguration of Microrobotic Beam Structures for the ChipSail System

Solar sailing enables efficient propellant-free attitude adjustment and orbital maneuvers of solar sail spacecraft with high area-to-mass ratios. However, the heavy supporting mass for large solar sails inevitably leads to low area-to-mass ratios. Inspired by chip-scale satellites, a chip-scale solar sail system named ChipSail, consisting of microrobotic solar sails and a chip-scale satellite, was proposed in this work. The structural design and reconfigurable mechanisms of an electrothermally driven microrobotic solar sail made of Al\Ni 50 Ti 50 bilayer beams were introduced, and the theoretical model of its electro-thermo-mechanical behaviors was established. The analytical solutions to the out-of-plane deformation of the solar sail structure appeared to be in good agreement with the finite element analysis (FEA) results. A representative prototype of such solar sail structures was fabricated on silicon wafers using surface and bulk microfabrication, followed by an in-situ experiment of its reconfigurable property under controlled electrothermal actuation. The experimental results demonstrated significant electro-thermo-mechanical deformation of such microrobotic bilayer solar sails, showing great potential in the development of the ChipSail system. Analytical solutions to the electro-thermo-mechanical model, as well as the fabrication process and characterization techniques, provided a rapid performance evaluation and optimization of such microrobotic bilayer solar sails for the ChipSail.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Thermal Control Subsystem Design for the Avionics of a Space Station Payload

A case study of the thermal control subsystem development for a space based payload is presented from the concept stage through preliminary design. This payload, the Space Acceleration Measurement System 2 (SAMS-2), will measure the acceleration environment at select locations within the International Space Station. Its thermal control subsystem must maintain component temperatures within an acceptable range over a 10 year life span, while restricting accessible surfaces to touch temperature limits and insuring fail safe conditions in the event of loss of cooling. In addition to these primary design objectives, system level requirements and constraints are imposed on the payload, many of which are driven by multidisciplinary issues. Blending these issues into the overall system design required concurrent design sessions with the project team, iterative conceptual design layouts, thermal analysis and modeling, and hardware testing. Multiple tradeoff studies were also performed to investigate the many options which surfaced during the development cycle.

Moran, Matthew E.↗

The Cosmic Radiation Symphony: Soundtrack for a Journey to Mars

Space radiation (SR) is a constant threat to astronauts who journey away from the Earth’s protective magnetosphere. Galactic cosmic rays (GCR) are atomic nuclei from remnants of supernovae and are omnipresent in outer space. These ionized particles travel close to the speed of light and when they traverse biological material,they leave behind a path of damage. Another space radiation threat is from our sun when solar particle events (SPEs), or bursts of energetic protons,occur. Exposure to space radiation can lead to cancer, cardiovascular disease,immune dysfunction, and cognitive and behavioral decrements. Yet humans cannot see, smell, taste, hear,or feel radiation, making it less tangible than other health threats and much more difficult to describe.This is an important gap in risk communication that the Space Radiation Element is working to close within NASA’s Human Research Program. Music and art are powerful means of communicating human emotions and feelings and are effective and creative ways to convey other types of information. In this work, the sonification process was used to transcribe or translate the physical nature of the SR environment on a 3-year mission to Mars into sound, a format perceptible to the human ear. A visual representation for the journey was also developed so the audience can both hear and envision the chronic presence of GCR and the acute and large bursts of energy present in SPEs. Data for this project were derived from the Radiation Assessment Detector on the NASA Curiosity Rover during its outbound cruise to Mars and on the Martian surface, as well as from models of the space radiation environment behind spacecraft shielding. Our data-driven audiovisual composition was realized using custom programmed digital signal processing and graphic design in the programming languages Pure Data and Processing. The data sonification was contextualized in time and space by calculating and visualizing the location of the spacecraft in relation to the other planets during the Mars mission. The finished work is a unique and powerful means of communicating the presence and risk of space radiation, accessible by people of all ages and scientific backgrounds

Richard Snow↗

Final Report Document: Microgravity Medical Eyewash B

Senior Capstone Design Team 15 has been commissioned by the National Aeronautics and Space Administration (NASA) to redesign the current microgravity eye wash station. The current design exhibits four primary limitations: single-use operation, excessive mass and volume, operational complexity requiring coordination with external systems, and dependence on frequent Earth resupply missions. Our updated eyewash design will be deployed on long-range space missions that could last multiple years. Based on these and other requirements from our customer, we have developed our updated eyewash design. Our compact, single-eye system uses capillary-driven flow and a free-floating water ball. This design allows us to eliminate pumps and bulky tubing, decreasing the mass and volume of the overall system. The containment eyecup is held to the astronaut's face with a strap, and a silicone seal prevents leakage while improving user comfort. Contaminated water is contained within a disposal bag containing wicking material to pull it back out of the eyecup after washing the eye. This system is reusable, efficient, and easy to activate quickly. We evaluated our design through calculations, microfluidic testing, and user try-on testing to verify our requirements. Our work demonstrated that steady-state flow was capable with our capillary framework, achieving 1.31 L/min. The prototype construction confirmed mass and volume reductions, and try-on-testing evaluated the ability to put on the system quickly. Almost all major design requirements were achieved, and water loss could be validated by testing in microgravity. Our design went through a number of iterations to reach the final solution presented in this report. These changes were driven by our testing and collaboration from each member of the team. Updated models optimized tube placement and geometry of the eyecup to better direct flow as it pools across the eye. Changes to our tubing bends improved capillary efficiency and increased the flow rate we were capable of achieving. And improved bracket placements adjusted the fit, comfort, and seal of the eyecup to the astronaut's face. Our capillary-based eyewash system is technically feasible and has been theoretically validated to operate effectively in microgravity conditions. Testing and analysis indicate that it can meet or exceed the required performance metrics, including flow rate and safety constraints. Overall, the design represents a viable alternative to current ISS-dependent eyewash systems for future space missions.

Jeffrey Allen↗

Data-Efficient Dimensionality Reduction and Surrogate Modeling of High-Dimensional Stress Fields

Tensor datatypes representing field variables like stress, displacement, velocity, etc., have increasingly become a common occurrence in data-driven modeling and analysis of simulations. Numerous methods [such as convolutional neural networks (CNNs)] exist to address the meta-modeling of field data from simulations. As the complexity of the simulation increases, so does the cost of acquisition, leading to limited data scenarios. Modeling of tensor datatypes under limited data scenarios remains a hindrance for engineering applications. Here, in this article, we introduce a direct image-to-image modeling framework of convolutional autoencoders enhanced by information bottleneck loss function to tackle the tensor data types with limited data. The information bottleneck method penalizes the nuisance information in the latent space while maximizing relevant information making it robust for limited data scenarios. The entire neural network framework is further combined with robust hyperparameter optimization. We perform numerical studies to compare the predictive performance of the proposed method with a dimensionality reduction-based surrogate modeling framework on a representative linear elastic ellipsoidal void problem with uniaxial loading. The data structure focuses on the low-data regime (fewer than 100 data points) and includes the parameterized geometry of the ellipsoidal void as the input and the predicted stress field as the output. The results of the numerical studies show that the information bottleneck approach yields improved overall accuracy and more precise prediction of the extremes of the stress field. Additionally, an in-depth analysis is carried out to elucidate the information compression behavior of the proposed framework.

artificial intelligence↗

Transient heat transfer and thermophysical properties measurements in low gravity

Theoretical computer models and correlations which describe phenomena important in the design of transient heat transfer systems are verified and extended. Attention is given to heat transfer to a fluid near the thermodynamic critical point, i.e., a highly compressible fluid. The validity of the computer model is tested by conducting heat-transfer experiments in a low gravity environment where gravity-driven motion is essentially eliminated. It is noted that the NASA KC135 aircraft provides a useful low-g platform for experimental work and provides valuable experience and background for experiments ultimately designed to fly on the Space Shuttle.

Giarratano, P. J.↗

The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design

The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning (ML) techniques. JARVIS is motivated by the Materials Genome Initiative (MGI) principles of developing open-access databases and tools to reduce the cost and development time of materials discovery, optimization, and deployment. The major features of JARVIS are: JARVIS-DFT, JARVIS-FF, JARVIS-ML, and JARVIS-tools. To date, JARVIS consists of ≈40,000 materials and ≈1 million calculated properties in JARVIS-DFT, ≈500 materials and ≈110 force-fields in JARVIS-FF, and ≈25 ML models for material-property predictions in JARVIS-ML, all of which are continuously expanding. JARVIS-tools provides scripts and workflows for running and analyzing various simulations. We compare our computational data to experiments or high-fidelity computational methods wherever applicable to evaluate error/uncertainty in predictions. In addition to the existing workflows, the infrastructure can support a wide variety of other technologically important applications as part of the data-driven materials design paradigm. The JARVIS datasets and tools are publicly available at the website: https://jarvis.nist.gov .

36 MATERIALS SCIENCE↗

Machine learning approaches for intentional materials engineering

In this article, the development of nanoporous metals and metallic composites through dealloying processes presents significant opportunities in materials engineering. However, designing multicomponent precursor alloys and establishing corresponding processing methods that yield predictable compositions and nanostructures remain a complex challenge. This article explores how machine learning (ML)-augmented computational and experimental methodologies can tackle these challenges by predicting precursor alloy compositions, final nanoporous structures, and mechanical properties, while integrating ML-enabled autonomous experimentation for material design and quantification. We highlight recent advancements in applying ML to nanostructured materials design via dealloying and discuss how techniques from other nanomaterial designs can be adapted for improved control over morphological and compositional outcomes in nanoporous and nanocomposite materials. Furthermore, we explore the role of ML in autonomous synchrotron x-ray experimentation, enabling real-time feedback between modeling and experimental setups. ML-driven approaches to microstructure characterization and mechanical property prediction are also examined, with a focus on modeling and advanced imaging techniques such as three-dimensional nanotomography. Finally, this article outlines future directions for ML-enhanced materials science, emphasizing the exploration of high-dimensional parameter spaces and the incorporation of materials kinetics into processing and property evaluation, ultimately advancing the design of nanoporous structures and materials science.

36 MATERIALS SCIENCE↗

Universal Electronic‐Structure Relationship Governing Intrinsic Magnetic Properties in Permanent Magnets

An electronic-structure-centered perspective is presented on permanent-magnet (PM) design, highlighting two key levers, that is, saturation magnetization (M s ), governed by 3d-band filling and exchange physics, and magnetocrystalline anisotropy energy (MAE), arising from spin-orbit coupling (SOC) on anisotropic orbital populations. Reviewing current practices, including DFT-based MAE/J ij extraction, atomistic-spin and micromagnetic modeling, and high-throughput machine learning (ML) pipelines, three bottlenecks limiting predictive discovery is identified that is i) electronic-structure accuracy for small MAE (sensitive to functional choice, Hubbard U, and many-body effects), ii) finite-temperature and kinetic realism (phonon/magnon renormalization, ordering kinetics), and iii) descriptor and multiscale decoupling (lack of SOC-weighted and orbital-resolved fingerprints). Deep dives into the electronic-structure of Nd─Fe─B and Fe─N show how these fingerprints govern magnetic performance, motivating DFT- and quantum-mechanics-based descriptors for discovery. Unbiased, structure-driven exploration, coupled with high-throughput simulations, ML, generative AI, and reasoning models, accelerates candidate identification and propagates insights across scales. Addressing supply-chain risks, on future needs of designing “critical-element-free” magnets with tailored microstructure and high energy products is emphasized. By integrating electronic fingerprints, AI reasoning, and multiscale modeling, a practical roadmap is provided for rare-earth-lean or rare-earth free, high-performance, sustainable PMs.

Singh, Prashant [Ames Laboratory, and Iowa State U↗

Identifying quenched jets in heavy ion collisions with machine learning

Measurements of jet substructure in ultra-relativistic heavy ion collisions suggest that the jet showering process is modified by the interaction with the quark-gluon plasma. Modifications of the hard substructure of jets can be explored with modern data-driven techniques. In this study, a machine learning approach to the identification of quenched jets is designed. Jet showering processes are simulated with a jet quenching model JEWEL and a non-quenching model PYTHIA 8. Sequential substructure variables are extracted from the jet clustering history following an angular-ordered sequence and are used in the training of a neural network built on top of a long short-term memory network. We show that this approach successfully identifies the quenching effect in the presence of the large uncorrelated background of soft particles created in heavy-ion collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Sizing ramping reserve using probabilistic solar forecasts: A data-driven method

Ramping products have been introduced or proposed in several U.S. power markets to mitigate the impact of load and renewable uncertainties on market efficiency and reliability. Current methods often rely on historical data to estimate the requirements of ramping products and fail to take into account the effects of the latest weather conditions and their uncertainties, which could lead to overly conservative or insufficient requirements. This study proposes a k-nearest-neighbor-based method to give weather-informed estimates of ramping needs based on short-term probabilistic solar irradiance forecasts. Forecasts from multiple sites are employed in conjunction with principal component analysis to derive numerical classifiers to characterize system-level weather conditions. In addition, we develop a data-driven method to optimize the model parameters in a rolling-forward manner. By using real-world data from the California Independent System Operator, we design two metrics to evaluate method performance: 1) frequency of shortage and 2) oversupply of ramping product. Our proposed method presents advantages in comparison with the baseline and a set of benchmark methods: without compromising system reliability, it reduces system ramping requirements by up to 25%, therefore improving both system reliability and economics.

14 SOLAR ENERGY↗

Validation and parameterization of a novel physics-constrained neural dynamics model applied to turbulent fluid flow

We report, in fluid physics, data-driven models to enhance or accelerate time to solution are becoming increasingly popular for many application domains, such as alternatives to turbulence closures, system surrogates, or for new physics discovery. In the context of reduced order models of high-dimensional time-dependent fluid systems, machine learning methods grant the benefit of automated learning from data, but the burden of a model lies on its reduced-order representation of both the fluid state and physical dynamics. In this work, we build a physics-constrained, data-driven reduced order model for Navier–Stokes equations to approximate spatiotemporal fluid dynamics in the canonical case of isotropic turbulence in a triply periodic box. The model design choices mimic numerical and physical constraints by, for example, implicitly enforcing the incompressibility constraint and utilizing continuous neural ordinary differential equations for tracking the evolution of the governing differential equation. We demonstrate this technique on a three-dimensional, moderate Reynolds number turbulent fluid flow. In assessing the statistical quality and characteristics of the machine-learned model through rigorous diagnostic tests, we find that our model is capable of reconstructing the dynamics of the flow over large integral timescales, favoring accuracy at the larger length scales. More significantly, comprehensive diagnostics suggest that physically interpretable model parameters, corresponding to the representations of the fluid state and dynamics, have attributable and quantifiable impact on the quality of the model predictions and computational complexity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗