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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Alternate high capacity heat pipe

The performance predictions for a fifty foot heat pipe (4 foot evaporator - 46 foot condensor) are discussed. These performance predictions are supported by experimental data for a four foot heat pipe. Both heat pipes have evaporators with axial groove wick structures and condensers with powder metal external artery wick structures. The predicted performance of a rectangular axial groove/external artery heat pipe operating in space is given. Heat transport versus groove width is plotted for 100, 200 and 300 grooves in the evaporator. The curves show that maximum power is achieved for groove widths from 0.040 to 0.053 as the number of grooves varies from 300 to 100. The corresponding range of maximum power is 3150 to 2400 watts. The relationships between groove width and heat pipe evaporate diameter for 100, 200 and 300 grooves in the evaporator are given. A four foot heat pipe having a three foot condenser and one foot evaporator was built and tested. The evaporator wick structure used axial grooves with rectangular cross sections, and the condenser wick structure used powder metal with an external artery configuration. Fabrication drawings are enclosed. The predicted and measured performance for this heat pipe is shown. The agreement between predicted and measured performance is good and therefore substantiates the predicted performance for a fifty foot heat pipe.

Voss, F. E.↗
NASA NTRS1995

Structural Analysis and Testing of an Erectable Truss for Precision Segmented Reflector Application

This paper describes analysis and test results obtained at Langley Research Center (LaRC) on a doubly curved testbed support truss for precision reflector applications. Descriptions of test procedures and experimental results that expand upon previous investigations are presented. A brief description of the truss is given, and finite-element-analysis models are described. Static-load and vibration test procedures are discussed, and experimental results are shown to be repeatable and in generally good agreement with linear finite-element predictions. Truss structural performance (as determined by static deflection and vibration testing) is shown to be predictable and very close to linear. Vibration test results presented herein confirm that an anomalous mode observed during initial testing was due to the flexibility of the truss support system. Photogrammetric surveys with two 131-in. reference scales show that the root-mean-square (rms) truss-surface accuracy is about 0.0025 in. Photogrammetric measurements also indicate that the truss coefficient of thermal expansion (CTE) is in good agreement with that predicted by analysis. A detailed description of the photogrammetric procedures is included as an appendix.

Collins, Timothy J.↗
DOE OSTI2026

TEM Approaches for Microstructure-Informed Prediction of Mechanical Properties in Structural Alloys

Predicting the mechanical performance of structural alloys from their evolving microstructure remains a major challenge in materials science, particularly for nuclear structural materials, where irradiation-induced defects span multiple types and length scales and interact through complex mechanisms. The dispersed barrier hardening (DBH) [1] and Friedel–Kroupa–Hirsch (FKH) [2,3] models have been widely used to evaluate the hardening contributions of individual obstacles and to estimate tensile strength from quantified microstructures; however, when multiple size-dependent obstacles coexist and evolve, predicting temperature-dependent tensile strength becomes significantly more complex, and a fully consistent hardening model is still lacking. Transmission electron microscopy (TEM) plays a central role in refining hardening models and enabling predictive assessments of tensile strength evolution by providing quantitative characterization of dislocations, irradiation-induced defects (e.g., dislocation loops and cavities), precipitates, and grain structure (Fig. 1.). These experimentally measured defect densities are incorporated into physically based hardening models with size- and shape- dependent obstacle strengths [4], using root-sum-square superposition for obstacles of comparable strength and linear superposition for dissimilar ones [5]. In addition, recent advances in TEM [6-8], including high-resolution imaging, 4D-STEM strain mapping, EDS/EELS elemental analysis, and flash-polishing-based TEM specimen preparation and extraction-replica methods (Fig. 2), further improve the accuracy of microstructural quantification. By comparison with prior studies as well as our own results, we show that when TEM-derived microstructural information is carefully integrated with physically grounded hardening models, yield strength (or irradiation-induced hardening) measured at room temperature can be predicted with good quantitative agreement across multiple alloy classes. In-situ TEM combined with high-temperature mechanical testing represents an important next step for refining hardening models by directly probing dislocation–obstacle interactions across varying irradiation doses and temperatures [9]. Because the barrier strength factor (α) depends on both temperature and obstacle size, it should not be treated as a constant fitting parameter; rather, it must be explicitly evaluated to achieve physically meaningful predictions of mechanical behaviour at operating temperatures. This presentation therefore discusses why all strengthening contributions (e.g., Peierls stress, solid-solution strengthening, voids, bubbles, dislocation loops, dislocation lines, and grain boundaries) must be considered collectively, why appropriate superposition methods are essential when obstacles possess different barrier strength factors, how hardness measurements can be meaningfully related to tensile properties, and how TEM-derived microstructural information can be systematically incorporated into hardening models. More broadly, it outlines a pathway toward microstructure-informed prediction of mechanical properties and supports the goal of establishing science-based tools for evaluating structural materials in extreme environments [10].

Lin, Yan-Ru [ORNL] (ORCID:0000000339991473)↗
DOE OSTI2022

Proteome-scale Deployment of Protein Structure Prediction Workflows on the Summit Supercomputer

Deep learning has contributed to major advances in the prediction of protein structure from sequence, a fundamental problem in structural bioinformatics. With predictions now approaching the accuracy of crystallographic experiments, and with accelerators like GPUs and TPUs making inference using large models rapid, genome-level structure prediction becomes an obvious aim. Leadership-class computing resources can be used to perform genome-scale protein structure prediction using state-of-the-art deep learning models, providing a wealth of new data for systems biology applications. Here we describe our efforts to efficiently deploy the AlphaFold v.2 program, for full-proteome structure prediction, at scale on the Oak Ridge Leadership Computing Facility's resources, including the Summit supercomputer. We performed inference to produce the predicted structures for 40,526 protein sequences, corresponding to four prokaryotic proteomes and one plant proteome, using under 4,400 total Summit node hours, equivalent to using the majority of the supercomputer for a little over one hour. We also designed an optimized structure refinement that reduced the time for the relaxation stage of the AlphaFold pipeline by over 10X for longer sequences. We demonstrate the types of analyses that can be performed on proteome-scale collections of sequences, including a search for novel quaternary structures and implications for functional annotation.

Gao, Mu↗
DOE OSTI2023

Identification and preliminary characterization of conserved uncharacterized proteins from Chlamydomonas reinhardtii , Arabidopsis thaliana , and Setaria viridis

Abstract The rapid accumulation of sequenced plant genomes in the past decade has outpaced the still difficult problem of genome‐wide protein‐coding gene annotation. A substantial fraction of protein‐coding genes in all plant genomes are poorly annotated or unannotated and remain functionally uncharacterized. We identified unannotated proteins in three model organisms representing distinct branches of the green lineage (Viridiplantae): Arabidopsis thaliana (eudicot), Setaria viridis (monocot), and Chlamydomonas reinhardtii (Chlorophyte alga). Using similarity searching, we identified a subset of unannotated proteins that were conserved between these species and defined them as Deep Green proteins. Bioinformatic, genomic, and structural predictions were performed to begin classifying Deep Green genes and proteins. Compared to whole proteomes for each species, the Deep Green set was enriched for proteins with predicted chloroplast targeting signals predictive of photosynthetic or plastid functions, a result that was consistent with enrichment for daylight phase diurnal expression patterning. Structural predictions using AlphaFold and comparisons to known structures showed that a significant proportion of Deep Green proteins may possess novel folds. Though only available for three organisms, the Deep Green genes and proteins provide a starting resource of high‐value targets for further investigation of potentially new protein structures and functions conserved across the green lineage.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Wind turbine performance enhancement with minimal structural load penalty: A design philosophy

The performance benefits of using tip devices on wind turbines has been well-documented. However, previous studies show that adding blade tip devices such as winglets leads to a significant increase in blade root bending moment, potentially requiring structural reinforcement with cost and weight drawbacks. A new and unique design philosophy for retrofit blade tip devices for wind turbines is presented. By balancing generated aerodynamic and centrifugal loads, these devices offer an increase in power production without the need for structural reinforcement. Predicted performance and cost benefits of using retrofit blade tip devices on the National Renewable Energy Laboratory 5 MW reference wind turbine are shown. Finally, the addition of blade tip devices resulted in significant improvements in the coefficient of power (C p ) and annual energy production (AEP).

17 WIND ENERGY↗
DOE OSTI2020

A density-functional theory study of the Al/AlOx/Al tunnel junction

The aluminum oxide tunnel junction is a key component of the majority of superconducting quantum devices. For high-quality, reproducible, and scalably manufacturable qubits, the ability to fabricate Josephson junctions (JJs) with a targeted critical current and high uniformity is essential. In this study, we use first-principles modeling to assess fundamental aspects of the atomic structure of both amorphous and crystalline aluminum oxide tunnel junctions and relate the structure to predicted performance metrics. We use modified ab initio molecular dynamics to develop realistic models of the tunnel junction, from which interface roughness and local thickness fluctuations are analyzed in an unbiased manner by training a neural network to identify the boundary between metal and oxide. We show that the effective thickness of the insulating part of the junction can be different from the apparent physical thickness. We calculate the rate of Cooper pair tunneling for the atomically resolved electrostatic potential using direct numerical solution in 3D, which shows a channeling effect that impacts the junction critical current. The predicted critical current is a useful JJ design parameter that can be accessed from the ab initio calculations without fitting parameters. To assess the limits of uniformity and fabrication choices (e.g., oxidation vs epitaxy), we compare the amorphous junctions to crystalline models, which show order of magnitude more efficient tunneling compared to the amorphous case, underlining the connection between atomistic structure and Cooper pair tunneling efficiency. Further, this work provides a foundation for ab initio materials design and evaluation to help accelerate future development of improved tunnel junctions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

A Full-Induction Magnetohydrodynamics Solver for Liquid Metal Fusion Blankets in Vertex-CFD

Multiphysics modeling of liquid metal fusion blankets, which produce tritium and convert energy of neutrons created via fusion reactions into heat, is crucial for predicting performance, ensuring structural integrity, and optimizing energy production. While traditional blanket modeling of liquid metal flows during normal steady operating conditions commonly employs the inductionless approximation of the magnetohydrodynamics (MHD) equations, transient scenarios, when the plasma-confining magnetic field varies on millisecond time scales, require a full-induction MHD approach that dynamically evolves the magnetic field via the time-dependent induction equation. This paper presents the formulation, implementation, and initial verification of a full-induction MHD solver integrated within the open-source Vertex-CFD framework, which aims to achieve tight multiphysics coupling, a flexible software design enabling easy extension and addition of physics models, and performance portability across computing platforms. The solver utilizes finite element spatial discretization, implicit Runge–Kutta time integration, and an inexact Newton method to solve the resulting discrete nonlinear system, leveraging Trilinos packages for efficient computation. Verification against selected benchmark problems demonstrates accuracy and robustness of the solver. Furthermore, when the solver is applied to an idealized blanket model in 2.5D and full 3D, results obtained with Vertex-CFD are in good agreement with recently published quasi-2D simulations. These findings establish a computational foundation for future simulations of transient MHD phenomena in liquid metal blankets with Vertex-CFD, and open avenues for future extensions and performance optimizations.

Endeve, Eirik [ORNL] (ORCID:0000000312519507)↗
NASA NTRS1989

Design, analysis, and testing of a hybrid scale structural dynamic model of a Space Station

The impracticality of testing the fully-assembled on-orbit configurations of future large erectable space platforms fosters an increased reliance on other means for verifying predicted structural dynamic performance. One option is scale modeling. This paper discusses the design of a hybrid scale dynamic test model of the Freedom Space Station and its associated suspension system. Hybrid scaling laws are reviewed, followed by scale factor trades, component design examples, and an analytical evaluation of the overall model fidelity. Component and subassembly test results from a six-bay hybrid scale model truss are presented. Potential interactions of gravity and the suspension system with the free-free dynamics of the scale model are investigated. Suspension system design parameters, such as the number, location, mass, and stiffness of the suspension devices are traded to minimize undesirable interactions and form the basis for an overall suspension system concept for the scale model.

Gronet, Marc J.↗
NASA NTRS2018

WFIRST Integral Field Spectrograph Design and Operations Concept

One important aspect of the WFIRST coronagraphic instrument (CGI) technology demonstration is its ability to take high contrast spectra with an integral field spectrograph (IFS). Future missions such as LUVOIR and HabEx rely on IFS technologies for the spectral characterization of any objects they discover; spectral characterization is the core science of their exoplanet imaging instruments. The CGI IFS, being designed and built and Goddard Space Flight Center, has a spectral resolution of R50 and is designed to accommodate a 20% bandpass spanning 600-970nm. The bands and spectral resolution were chosen by the science investigation teams to target key methane absorption features, with the aim of constraining abundances. For CGI as a technology demonstration, these are the minimum set of defining features to demonstrate on-orbit wavefront control with an IFS capable of producing science. The ability to close a wavefront control loop around an IFS, maintain a stable dark hole, and provide time resolved data that simultaneously spans spatial and spectral dimensions are crucial demonstrations for future observatories. We highlight the IFS requirements and how the on-orbit calibration is handled. We also provide further detail on the optomechanical design, its stability based on thermal and structural predictions, anticipated performance, and operations concept of the CGI IFS.

Groff, Tyler↗
NASA NTRSDate not supplied

WFIRST CGI: Prism and Polarizer Characterization Modes

As part of its technology demonstration, the WFIRST coronagraph instrument (CGI) will demonstrate point source spectroscopy and polarization measurements of disks. The specific implementation of spectroscopy is a zero-deviation Amici prism and slit to be placed on the planet after high contrast has been achieved by CGI. The polarization optics are a set of Wollaston prisms so that orthogonal polarization states can be measured simultaneously. The CGI spectral characterization mode, being designed and built and Goddard Space Flight Center (GSFC), has a spectral resolution of R50 and is designed to accommodate a 15% bandpass spanning 610-785nm. In order to recover Stokes information, there are two sets of Wollaston prisms clocked 45 degrees with respect to one another with each measurement taken in series. The Wollaston design and optical elements are a contribution by the Japanese Aerospace Exploration Agency, with final alignment and testing being done at GSFC. The spectroscopy mode is designed to target Methane absorption features around 730nm, keeping the spectral resolution as low as possible to improve the signal-to-noise ratio and hence reduce detection time. We highlight the requirements for these modes and address the challenge of on-orbit spectral calibration for a deployable slit in the presence of pointing drifts. Of unique interest is how the observatory error budget couples into good stellar spectrum calibration and subsequent speckle subtraction. We also provide further detail on the optomechanical design, its stability based on thermal and structural predictions, modeled performance, and operations concept. These performance metrics are simulated to demonstrate how a slit located at an arbitrary field point is homed onto the planet and converted to a calibrated spectrum.

Tyler D Groff↗
NASA NTRS2017

Dynamic/Jitter Assessment of Multiple Potential HabEx Structural Designs

One of the driving structural requirements of the Habitable Exo-Planet (HabEx) telescope is to maintain Line Of Sight (LOS) stability between the Primary Mirror (PM) and Secondary Mirror (SM) of ≤ 5 mas. Dynamic analyses of two configurations of a proposed (HabEx) 4 meter off-axis telescope structure were performed to predict effects of jitter on primary/secondary mirror alignment. The dynamic disturbance used as the forcing function was the James Webb Space Telescope reaction wheel assembly vibration emission specification level. The objective of these analyses was to predict "order-of-magnitude" performance for various structural configurations which will roll into efforts to define the HabEx structural design's global architecture. Two variations of the basic architectural design were analyzed. Relative motion between the PM and the SM for each design configuration are reported.

Knight, J. Brent↗
NASA NTRSDate not supplied

Dynamic Stability Finite Element Analysis of Multiple Potential Large Space Telescope Structural Designs

One of the driving structural requirements of the Habitable Exo-Planet telescope is to maintain line of sight stability between the primary and secondary mirror of ≤ 5 milli-arc seconds. Dynamic analyses of two configurations of a proposed Habitable Exo-Planet 4 meter off-axis telescope structure were performed to predict effects of a vibration input on primary/secondary mirror alignment. The dynamic disturbance used as the forcing function was the James Webb Space Telescope reaction wheel assembly vibration emission specification level. The objective of these analyses was to predict order-of-magnitude performance for various structural configurations which contribute to efforts in defining the Habitable Exo-Planet structural design’s global architecture. Two variations of the basic architectural design were analyzed. Relative motion between the PM and the SM for each design configuration are reported.

jitter↗
NASA NTRS1989

Near-field testing of the 15-meter hoop-column antenna

A 15-m-diameter antenna was tested to verify that dimensional tolerances for acceptable performance could be achieved and to verify structural, electromagnetic, and mechanical performance predictions. This antenna utilized the hoop column structure, a gold plated molybdenum mesh reflector, and 96 control cables to adjust the reflector conformance with a paraboloid. The dimensional conformance of the antenna structure and surface was measured with metric camera and theodolites. Near field pattern data were used to assess the electromagnetic performance at five frequencies from 2.225 to 11.6 GHz. The reflector surface was adjusted to greatly improve electromagnetic performance with a finite element model and the surface measurements. Measurement results show that antenna surface figure and adjustments and electromagnetic patterns agree well with predictions.

Schroeder, Lyle C.↗
DOE OSTI2024

The seventh blind test of crystal structure prediction: structure generation methods

A seventh blind test of crystal structure prediction was organized by the Cambridge Crystallographic Data Centre featuring seven target systems of varying complexity: a silicon and iodine-containing molecule, a copper coordination complex, a near-rigid molecule, a cocrystal, a polymorphic small agrochemical, a highly flexible polymorphic drug candidate, and a polymorphic morpholine salt. In this first of two parts focusing on structure generation methods, many crystal structure prediction (CSP) methods performed well for the small but flexible agrochemical compound, successfully reproducing the experimentally observed crystal structures, while few groups were successful for the systems of higher complexity. A powder X-ray diffraction (PXRD) assisted exercise demonstrated the use of CSP in successfully determining a crystal structure from a low-quality PXRD pattern. The use of CSP in the prediction of likely cocrystal stoichiometry was also explored, demonstrating multiple possible approaches. Crystallographic disorder emerged as an important theme throughout the test as both a challenge for analysis and a major achievement where two groups blindly predicted the existence of disorder for the first time. Additionally, large-scale comparisons of the sets of predicted crystal structures also showed that some methods yield sets that largely contain the same crystal structures.

Chemistry↗
DOE OSTI2024

Design Load Basis Guidance for Distributed Wind Turbines

Aeroelastic modeling (AM) is the primary methodology for structural and performance assessment of any wind turbine. Nonetheless, the use of AM in the distributed wind (DW) industry sector is limited due to several challenges (Damiani, Davis, & Summerville, 2022). One of these challenges lies in the perceived complexity of generating a proper set of numerical simulations to extract and process the key outputs for component design and verification, and, ultimately, achieve certification. This makes it difficult to reliably predict the structural and performance response of small wind turbines. From the investigation carried out in (Damiani & Davis, 2022), it is apparent that many stakeholders in this sector believe that a comprehensive guide for developing a design load basis (DLB) for distributed wind turbines (DWTs) is necessary.

17 WIND ENERGY↗
NASA NTRS1984

High temperature stress-strain analysis

The objectives are threefold: to assist in developing predictive tools needed to improve design analyses and procedures for the efficient and accurate prediction of burner liner structural performance and response; to calibrate, validate, and evaluate these predictive tools by comparing the predicted results with the experimental data; and to evaluate existing as well as advanced temperature and strain measurement instrumentation, through both contact and noncontact efforts, in a simulated turbine engine combustor environment. As the predictive tool, tests, test methods, instrumentation, and data acquisition and reduction methods are developed and evaluated, a proven, integrated analysis/experiment method will be developed that will permit the accurate prediction of the cyclic life of a burner liner.

Thompson, R. L.↗