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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 199 records · Page 11

Analysis of Complex Valve and Feed Systems

A numerical framework for analysis of complex valve systems supports testing of propulsive systems by simulating key valve and control system components in the test loop. In particular, it is designed to enhance the analysis capability in terms of identifying system transients and quantifying the valve response to these transients. This system has analysis capability for simulating valve motion in complex systems operating in diverse flow regimes ranging from compressible gases to cryogenic liquids. A key feature is the hybrid, unstructured framework with sub-models for grid movement and phase change including cryogenic cavitations. The multi-element unstructured framework offers improved predictions of valve performance characteristics under steady conditions for structurally complex valves such as pressure regulator valve. Unsteady simulations of valve motion using this computational approach have been carried out for various valves in operation at Stennis Space Center such as the split-body valve and the 10-in. (approx.25.4-cm) LOX (liquid oxygen) valve and the 4-in. (approx.10 cm) Y-pattern valve (liquid nitrogen). Such simulations make use of variable grid topologies, thereby permitting solution accuracy and resolving important flow physics in the seat region of the moving valve. An advantage to this software includes possible reduction in testing costs incurred due to disruptions relating to unexpected flow transients or functioning of valve/flow control systems. Prediction of the flow anomalies leading to system vibrations, flow resonance, and valve stall can help in valve scheduling and significantly reduce the need for activation tests. This framework has been evaluated for its ability to predict performance metrics like flow coefficient for cavitating venturis and valve coefficient curves, and could be a valuable tool in predicting and understanding anomalous behavior of system components at rocket propulsion testing and design sites.

Ahuja, Vineet↗

Incorporation of a progressive failure analysis method in the CSM testbed software system

Analysis of the postbuckling behavior of composite shell structures pose many difficult and challenging problems in the field of structural mechanics. Current analysis methods perform well for most cases in predicting the postbuckling response of undamaged components. To predict component behavior accurately at higher load levels, the analysis must include the effects of local material failures. The CSM testbed software system is a highly modular structural analysis system currently under development at Langley Research Center. One of the primary goals of the CSM testbed is to provide a software environment for the development of advanced structural analysis methods and modern numerical methods which will exploit advanced computer architecture such as parallel-vector processors. Development of a progressive failure analysis method consists of the design and implementation of a processor which will perform the ply-level progressive failure analysis and the development of a geometrically nonlinear analysis procedure which incorporates the progressive failure processor. Regarding the development of the progressive failure processor, two components are required: failure criteria and a degradation model. For the initial implementation, the failure criteria of Hashin will be used. For a matrix failure which typically indicates the development of transverse matrix cracks, the ply properties will be degraded. Work to date includes the design of the progressive failure analysis processor and initial plans for the controlling geometrically nonlinear analysis procedure. The implementation of the progressive failure analysis has begun. Access to the model database and the Hashin failure criteria are completed. Work is in progress on the input/output operations for the processor related data and the finite element model updating procedures. In total the progressive failure processor is approximately one-third complete.

Arenburg, Robert T.↗

Volcano‐like Activity Trends in Au@Pd Catalysts: The Role of Pd Loading and Nanoparticle Size

The addition of palladium (Pd) to preformed gold nanoparticles (Au NPs) enables the formation of core‐shell structures with enhanced catalytic performance in oxidation reactions. However, predicting the precise palladium content required to achieve maximum catalytic activity remains difficult based on current understanding. Herein, Pd was systematically introduced onto titania‐supported Au NPs (2, 6, and 10 nm) to evaluate their performance in benzyl alcohol oxidation. A volcano‐like trend in catalytic activity was observed, where activity increased with Pd addition, peaked, and then declined. The Pd loading required for maximum activity depended on Au NP size: ≈40 at% Pd/Au for 2.6 nm, ≈20 at% Pd/Au for 6.4 nm, and ≈12.5 at% Pd/Au for 10.6 nm. For Au NPs > 6 nm, peak activity aligned with monolayer Pd coverage, while for smaller NPs (2–3 nm), optimal Pd content was below monolayer predictions. X‐ray absorption spectroscopy revealed a core‐shell structure at low Pd content, but higher Pd loadings led to Pd diffusion into the Au core. This structural transformation likely caused activity decline, indicating that AuPd alloying negatively impacts catalysis. These results highlight that core‐shell Au@Pd catalysts outperform AuPd alloys and provide crucial insights for designing highly active bimetallic catalysts.

X-ray absorption spectroscopy↗

FY19 FES Theory Performance Target (Final Report)

Understanding the relevant turbulent transport mechanisms at the edge of a high-performance tokamak is essential for predicting and optimizing the H-mode pedestal structure in future burning plasma devices. Global electromagnetic gyrokinetic simulations will be performed based on representative experimental pedestal scenarios in order to clarify which instabilities are most important for each of the particle and heat transport channels. Edge transport modeling will be performed in order to estimate and bound the particle and heat sources—e.g., the ionization density source and the atomic energy loss channels due to ionization, charge exchange, and radiation. Comparisons will be made with data from the DIII-D, JET, C-Mod and NSTX or MAST experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Long-Term Structural and Chemical Stability of Carbon Electrodes in Vanadium Redox Flow Battery

Predicting the performance decay in carbon electrodes is critical to maximizing the longevity of redox flow battery (RFB) systems. This study investigates the effect of long-term cycling (over 8000 cycles) on the structural and chemical evolution of carbon electrodes. We find that the microstructural aspects such as graphitic stacking order and interlayer spacing along with overall morphological construct remains largely unchanged even after the prolonged cycling process. Conversely, significant changes in surface chemistry such as evolution of functional groups and point defects are evident from our combined multimodal spectroscopic and computational analysis. The XPS and FTIR analysis reveals chemical absorption of chloride counter anions at point defects within graphitic surface. Additionally, our results suggest that vanadium cation plays an important role in counter anion-carbon surface interaction and subsequently the surface chemistry evolutions. Our findings provide insights about surface chemical evolution that is critical for predicting electrode performance and longevity of RFB.

Modachur Sivakumar, Bhuvaneswari↗

Unstructured Grid Euler Method Assessment for Longitudinal and Lateral/Directional Aerodynamic Performance Analysis of the HSR Technology Concept Airplane at Supersonic Cruise Speed

Unstructured grid Euler computations, performed at supersonic cruise speed, are presented for a High Speed Civil Transport (HSCT) configuration, designated as the Technology Concept Airplane (TCA) within the High Speed Research (HSR) Program. The numerical results are obtained for the complete TCA cruise configuration which includes the wing, fuselage, empennage, diverters, and flow through nacelles at M (sub infinity) = 2.4 for a range of angles-of-attack and sideslip. Although all the present computations are performed for the complete TCA configuration, appropriate assumptions derived from the fundamental supersonic aerodynamic principles have been made to extract aerodynamic predictions to complement the experimental data obtained from a 1.675%-scaled truncated (aft fuselage/empennage components removed) TCA model. The validity of the computational results, derived from the latter assumptions, are thoroughly addressed and discussed in detail. The computed surface and off-surface flow characteristics are analyzed and the pressure coefficient contours on the wing lower surface are shown to correlate reasonably well with the available pressure sensitive paint results, particularly, for the complex flow structures around the nacelles. The predicted longitudinal and lateral/directional performance characteristics for the truncated TCA configuration are shown to correlate very well with the corresponding wind-tunnel data across the examined range of angles-of-attack and sideslip. The complementary computational results for the longitudinal and lateral/directional performance characteristics for the complete TCA configuration are also presented along with the aerodynamic effects due to empennage components. Results are also presented to assess the computational method performance, solution sensitivity to grid refinement, and solution convergence characteristics.

Ghaffari, Farhad↗

Prediction of impact sensitivity, heat of formation and heat of explosion using atomic connectivity

In these proceedings we revisit a large collection of explosives and explosive descriptors with the goal of predicting impact sensitivity using only local atomic environments that can be deciphered from molecular SMILES strings as descriptors without utilizing empirically measured values or computationally expensive electronic structure calculations. From the original database of nearly 500 descriptors, removing empirically measured and electronic structure values decreased the number of descriptors to 135, which we reduced to 18 the most important descriptors using Random Forests. The condensed model predicted impact sensitivity with essentially the same accuracy as the existing, more complex model (R 2 = 0.788 and RSME = 0.312), while remaining applicable to all types of explosives (Peroxides, azides, C-Nitros, Nitroamines, Nitrate Esters, etc.). In addition to impact sensitivity, we proposed similar models to accurately predict values heat of formation (ΔH f ) and heat of explosion (Q), with R 2 = 0.966 and 0.916, respectively. In conclusion, the work in these proceedings allows for prediction of explosive performance and sensitivity with only chemical structure information and an estimate of density.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Novel composites for wing and fuselage applications

Probabilistic predictions based on the IPACS code are presented for the material and structural response of unnotched and notched, IM6/3501-6 Gr/Ep laminates. Comparisons of predicted and measured modulus and strength distributions are given for unnotched unidirectional, cross-ply and quasi-isotropic laminates. The predicted modulus distributions were found to correlate well with the test results for all three unnotched laminates. Correlations of strength distributions for the unnotched laminates are judged good for the unidirectional laminate and fair for the cross-ply laminate, whereas the strength correlation for the quasi-isotropic laminate is judged poor because IPACS did not have a progressive failure capability at the time this work was performed. The report also presents probabilistic and structural reliability analysis predictions for the strain concentration factor (SCF) for an open-hole, quasi-isotropic laminate subjected to longitudinal tension. A special procedure was developed to adapt IPACS for the structural reliability analysis. The reliability results show the importance of identifying the most significant random variables upon which the SCF depends, and of having accurate scatter values for these variables.

Sobel, L. H.↗

Thermal and structural analysis of the GOES scan mirror's on orbit performance

The on-orbit performance of the GOES satellite's scan mirror has been predicted by means of thermal, structural, and optical models. A simpler-than-conventional thermal model was used to reduce the time required to obtain orbital predictions, and the structural model was used to predict on-earth gravity sag and on-orbit distortions. The transfer of data from the thermal model to the structural model was automated for a given set of thermal nodes and structural grids.

Zurmehly, G. E.↗

Materials in Extremes [Slides]

Goals: Realization of advanced predictive models that capture aspects of processing structure-properties-performance (PSPP) in ways that build on scale bridging, data science, and transformational physics insights from experiments; Based on a robust and seamless integration of sample manufacturing, characterization (pre- and post-mortem), theory and simulation, and novel experiments; Ultimately we want to be able to reliably predict performance, and control the functionality of materials in extreme environments.

36 MATERIALS SCIENCE↗

COFS 1: Beam dynamics and control technology overview

The Control of Flexible Structures (COFS) 1 Project provides the invaluable opportunity to test, validate, and measure the effectiveness of theories, structural concepts, control systems, and flight certification processes for future missions through a research program focusing on multiple issues in large flexible structures, dynamics, and controls. The COFS 1 Project consists of a series of ground and flight activities building progressively from modeling and dynamic characterization of large space systems to the more complex issues of flexible-body control. The program objectives are to: determine the degree to which theory and ground testing can predict flight performance of next-generation low-frequency structures; evaluate structural fidelity of representative next-generation large deployable precision structure; assess math modeling requirements for large lightweight complex systems on which ground test results are questionable; determine degree to which scale model analysis and tests can be correlated to full-scale performance; evaluate system identification and state estimation algorithms on complex lightweight structures in the space environment; evaluate and verify controls/structures modeling capability; evaluate control laws and control systems; and evaluate damping effects in micro-g environment.

Allen, John L.↗

Improving protein tertiary structure prediction by deep learning and distance prediction in CASP14

Abstract Substantial progresses in protein structure prediction have been made by utilizing deep‐learning and residue‐residue distance prediction since CASP13. Inspired by the advances, we improve our CASP14 MULTICOM protein structure prediction system by incorporating three new components: (a) a new deep learning‐based protein inter‐residue distance predictor to improve template‐free (ab initio) tertiary structure prediction, (b) an enhanced template‐based tertiary structure prediction method, and (c) distance‐based model quality assessment methods empowered by deep learning. In the 2020 CASP14 experiment, MULTICOM predictor was ranked seventh out of 146 predictors in tertiary structure prediction and ranked third out of 136 predictors in inter‐domain structure prediction. The results demonstrate that the template‐free modeling based on deep learning and residue‐residue distance prediction can predict the correct topology for almost all template‐based modeling targets and a majority of hard targets (template‐free targets or targets whose templates cannot be recognized), which is a significant improvement over the CASP13 MULTICOM predictor. Moreover, the template‐free modeling performs better than the template‐based modeling on not only hard targets but also the targets that have homologous templates. The performance of the template‐free modeling largely depends on the accuracy of distance prediction closely related to the quality of multiple sequence alignments. The structural model quality assessment works well on targets for which enough good models can be predicted, but it may perform poorly when only a few good models are predicted for a hard target and the distribution of model quality scores is highly skewed. MULTICOM is available at https://github.com/jianlin-cheng/MULTICOM_Human_CASP14/tree/CASP14_DeepRank3 and https://github.com/multicom-toolbox/multicom/tree/multicom_v2.0 .

59 BASIC BIOLOGICAL SCIENCES↗

Adaptive Machine Learning for Bragg Coherent Diffraction Imaging (BCDI) of 3D Electron Density Maps with Application to La 2-x Ba x CuO 4 (LBCO) High Temperature Superconductor Studies [PowerPoint]

Understanding mesoscale heterogeneity is important for evaluating fatigue and failure of structural materials and for manufacturing processes. Data-driven tools can facilitate in guiding effort investment (measurements and computations) at various stages of the materials development. Our 3D reconstruction approach is to find a set of coefficients which define a bounding surface of the electron density. Data for training the 3D CNN was generated by sampling coefficients from uniform distributions. Test vs. prediction values are shown for the 28 even-valued coefficients for 1000 test structures, with the best and worst performers highlighted. The adaptive part of this work utilized a model independent extremum seeking (ES). The predictions of the CNN were used as the starting point for the ES algorithm. The convergence of the ES algorithm for 3 different structures is illustrated, and the robustness of the adaptive ML approach was demonstrated on experimentally measured 3D crystal from high energy diffraction microscopy. Reconstruction of a non-uniform density volume with different levels of Poisson noise is also shown. Preliminary attempts at reconstructing measured La 2-x Ba x CuO 4 diffraction patterns have so far failed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Exascale granular microstructure reconstruction in 3D volumes of arbitrary geometries with generative learning

Reconstructing 3D granular microstructures within volumes of arbitrary geometries from limited 2D image data is crucial for predicting the material properties, as well as performances of structural components accounting for material microstructural effects. We present a novel generative learning framework that enables exascale reconstruction of granular microstructures within complex 3D geometric volumes. Building upon existing transfer learning techniques using pre-trained convolutional neural networks (CNN), we introduce several key innovations to overcome the difficulties inherent in arbitrary geometries. Our framework incorporates periodic boundary conditions using circular padding techniques, ensuring continuity and representativeness of the reconstructed microstructures. We also introduce a novel seamless transition reconstruction (STR) method that creates statistically equivalent transition zones to integrate multiple pre-existing 3D microstructure volumes. Based on STR, we propose a cost-effective strategy for reconstructing microstructures within complex geometric volumes, minimizing computational waste. Validation through numerical experiments using kinetic Monte Carlo simulations demonstrates accurate reproduction of grain statistics, including grain size distributions and morphology. A case study involving the reconstruction of a 4-blade propeller microstructure illustrates the method’s capability to efficiently handle complex geometries. In conclusion, the proposed framework significantly reduces computational demands while maintaining high reconstruction quality, paving the way for scalable microstructure reconstruction in materials design and analysis.

36 MATERIALS SCIENCE↗

Planning for large construction projects in space

The paper discusses briefly some broad plans for developing the technology needed for large construction projects in space ranging from orbiting solar power stations to large communications antennas. Space construction classes include assembly of modules, deployment of compacted structures, assembly of passive preformed pieces, and fabrication of structures from sheet stock. Technological areas related to structural concepts include (1) analyses for prediction of structural behavior, structural/control interaction, electromagnetic and control performance, and integrated design development; (2) electronics for signal conditioning and data acquisition, power distribution, and signal channel interference and multipaction; (3) concepts for shape control, attitude/pointing control, and orbital transfer and station keeping; and (4) materials and techniques for 30-year dimensional stable composites, thermal control, thin-lightweight structural alloys, and material joining in space. The concept of a power module for the construction operations is discussed along with a concept for a habitability module.

Disher, J. H.↗

Component testing for dynamic model verification

Dynamic model verification is the process whereby an analytical model of a dynamic system is compared with experimental data, adjusted if necessary to bring it into agreement with the data, and then qualified for future use in predicting system response in a different dynamic environment. These are various ways to conduct model verification. The approach taken here employs Bayesian statistical parameter estimation. Unlike curve fitting, whose objective is to minimize the difference between some analytical function and a given quantity of test data (or curve), Bayesian estimation attempts also to minimize the difference between the parameter values of that funciton (the model) and their initial estimates, in a least squares sense. The objectives of dynamic model verification, therefore, are to produce a model which: (1) is in agreement with test data; (2) will assist in the interpretation of test data; (3) can be used to help verify a design; (4) will reliably predict performance; and (5) in the case of space structures, will facilitate dynamic control.

Hasselman, T. K.↗

A computer program for model verification of dynamic systems

Dynamic model verification is the process whereby an analytical model of a dynamic system is compared with experimental data, and then qualified for future use in predicting system response in a different dynamic environment. There are various ways to conduct model verification. The approach adopted in MOVER II employs Bayesian statistical parameter estimation. Unlike curve fitting whose objective is to minimize the difference between some analytical function and a given quantity of test data (or curve), Bayesian estimation attempts also to minimize the difference between the parameter values of that function (the model) and their initial estimates, in a least squares sense. The objectives of dynamic model verification, therefore, are to produce a model which: (1) is in agreement with test data, (2) will assist in the interpretation of test data, (3) can be used to help verify a design, (4) will reliably predict performance, and (5) in the case of space structures, facilitate dynamic control.

Chrostowski, J. D.↗

Solar array flight experiment

Emerging satellite designs require increasing amounts of electrical power to operate spacecraft instruments and to provide environments suitable for human habitation. In the past, electrical power was generated by covering rigid honeycomb panels with solar cells. This technology results in unacceptable weight and volume penalties when large amounts of power are required. To fill the need for large-area, lightweight solar arrays, a fabrication technique in which solar cells are attached to a copper printed circuit laminated to a plastic sheet was developed. The result is a flexible solar array with one-tenth the stowed volume and one-third the weight of comparably sized rigid arrays. An automated welding process developed to attack the cells to the printed circuit guarantees repeatable welds that are more tolerant of severe environments than conventional soldered connections. To demonstrate the flight readiness of this technology, the Solar Array Flight Experiment (SAFE) was developed and flown on the space shuttle Discovery in September 1984. The tests showed the modes and frequencies of the array to be very close to preflight predictions. Structural damping, however, was higher than anticipated. Electrical performance of the active solar panel was also tested. The flight performance and postflight data evaluation are described.

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