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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Towards time-resolved MicroED grid preparation using mix-and-inject gas dynamic virtual nozzles

Recent progress in gas dynamic virtual nozzle (GDVN) technologies in combination with high-brilliance synchrotron and X-ray free-electron lasers (XFELs) has allowed the visualization of protein dynamics in crystallo by mixing macromolecular protein crystals with a substrate using tunable mixing times on the order of milliseconds to seconds prior to serial X-ray diffraction data collection. This has become the method of choice for high-resolution structure determination of intermediate states. However, such experiments require large counts of crystals of proper sizes for high-resolution data collection, and premium beam times for screening efforts. Cryogenic microcrystal electron diffraction (MicroED) represents a complementary technique that may be a more accessible avenue for time-resolved nanocrystallography compared with serial X-ray diffraction experiments. MicroED can produce full diffraction datasets from just a few submicrometre-thick crystals, and the approach is more readily accessible, requiring standard cryogenic transmission electron microscopy (TEM) equipment available at many universities and institutes. Cryogenic MicroED, like other forms of cryo-EM, begins with rapidly freezing biological material on electron microscopy grids. In the case of MicroED, micro- to nano-crystals (<500 nm thick) are deposited onto electron microscopy grids and plunge-frozen for subsequent electron diffraction data collection. Here, we have incorporated GDVN technology developed originally for XFEL experiments into the freezing process as a first step towards time-resolved studies. We describe the limited deposition efficiency of the model MicroED protein proteinase K on TEM grids using GDVNs, preceding sample vitrification and successful MicroED data collection. We discuss both the initial results from such experiments and the methodological challenges in developing this approach into a reliable workflow for millisecond-to-second time-resolved structural studies of macromolecules. Our results promise a strategy to deposit crystals on grids using GDVNs and determine high-resolution structures by MicroED, constituting a first step towards development of time-resolved MicroED experiments.

MicroED↗
NASA NTRSDate not supplied

Proposed Reliability-Based Damage Tolerance Guidelines for Space Systems

Deterministic damage tolerance guidelines for highly reusable and efficiently designed launch systems can be challenging to meet and result in overly conservative assessments for tightly controlled manufacturing processes. Deterministic approaches may be unconservative when the structure is workmanship sensitive and there is a wide spread in fracture properties. Reliability-based damage tolerance assessments targeting a component reliability over the service life commensurate to mission risk posture is a promising alternative. Low production rates, short fleets, and lack of standards or guidance has slowed down widespread adoption of this method. Guidance for the robust application of reliability-based damage tolerance for space systems are proposed. These guidelines cover the treatment of uncertainty in damage tolerance analysis, the collection of data to develop probabilistic distributions, uncertainty propagation methods, and types of hardware.

Reliability-Based Damage Tolerance↗
NASA NTRS2004

Effect of Random Thermal Spikes on Stirling Convertor Heater Head Reliability

Onboard radioisotope power systems being developed to support future NASA exploration missions require reliable design lifetimes of up to 14 yr and beyond. The structurally critical heater head of the high-efficiency developmental Stirling power convertor has undergone extensive computational analysis of operating temperatures (up to 650 C), stresses, and creep resistance of the thin-walled Inconel 718 bill of material. Additionally, assessment of the effect of uncertainties in the creep behavior of the thin-walled heater head, the variation in the manufactured thickness, variation in control temperature, and variation in pressure on the durability and reliability were performed. However, it is possible for the heater head to experience rare incidences of random temperature spikes (excursions) of short duration. These incidences could occur randomly with random magnitude and duration during the desired mission life. These rare incidences could affect the creep strain rate and therefore the life. The paper accounts for these uncertainties and includes the effect of such rare incidences, random in nature, on the reliability. The sensitivities of variables affecting the reliability are quantified and guidelines developed to improve the reliability are outlined. Furthermore, the quantified reliability is being verified with test data from the accelerated benchmark tests being conducted at the NASA Glenn Research Center.

Shah, Ashwin R.↗
NASA NTRS2004

Effect of Random Thermal Spikes on Stirling Convertor Heater Head Reliability

Onboard radioisotope power systems being developed to support future NASA exploration missions require reliable design lifetimes of up to 14 yr and beyond. The structurally critical heater head of the high-efficiency developmental Stirling power converter has undergone extensive computational analysis of operating temperatures (up to 650 C), stresses, and creep resistance of the thin-walled Inconel 718 bill of material. Additionally assessment of the effect of uncertainties in the creep behavior of the thin-walled heater head, the variation in the manufactured thickness, variation in control temperature, and variation in pressure on the durability and reliability were performed. However, it is possible for the heater head to experience rare incidences of random temperature spikes (excursions) of short duration. These incidences could occur randomly with random magnitude and duration during the desired mission life. These rare incidences could affect the creep strain rate and therefore the life. The paper accounts for these uncertainties and includes the effect of such rare incidences, random in nature, on the reliability. The sensitivities of variables affecting the reliability are quantified and guidelines developed to improve the reliability are outlined. Furthermore, the quantified reliability is being verified with test data from the accelerated benchmark tests being conducted at the NASA Glenn Research Center.

Shah, Ashwin R.↗
NASA NTRS1994

Static Shape Control of Inflatable Structures

Inflatable structural concepts have been proposed for numerous applications such as antennas for microwave remote sensing, space-based interferometry, solar concentrators, and for dual purposes (e.g. concentrator for power/antenna for communication). In comparison to other mechanically deployable systems, inflatable structures have significant advantages of a much lower cost, weight, and packaging volume, but higher deployment reliability and damping properties.

Inflatable structures↗
DOE OSTI2015

Utilization of GIS technology to support development of flow and contaminant fate and transport models at US DOE sites - 15457

U.S. Department of Energy (DOE) sites have accumulated years of data and millions of spatial and temporal records related to the hydrological cycle, contaminant transport, and parameters of remediation technologies. In addition, numerical models which use field monitoring data to help understand flow and transport produce gigabytes of computed spatial and temporal data for each computation node. There is a need therefore for an advanced spatial data structure that can be used to address the management, processing, and analysis of spatial and temporal numerical modeling data derived from multiple sources. This can be accomplished using a geo-database. The development of an ArcSDE geo-database facilitates the centralized storage, backup, accessibility, organization, and management of model configuration and computed simulation data, putting it into a structured, coherent, and logical computer-supported system. GIS data processing and automation would enable faster and hence more complex analyses of field test data. The Applied Research Center (ARC) at Florida International University (FIU) has provided analysis of flow and transport for several watersheds at DOE's Oak Ridge Reservation (ORR), including East Fork Poplar Creek (EFPC), Upper EFPC in the Y-12 National Security Complex area (Y-12 NSC) and White Oak Creek (WOC). Integrated surface and subsurface flow, fate and transport models were developed to provide analysis of contaminant patterns within each watershed. In addition, digital monitoring data available from the Oak Ridge Environmental Information System (OREIS) related to mercury (Hg) contamination and remediation within these watersheds was used for calibration and verification of the model. Experimental studies were also carried out which provided kinetic and equilibrium data about important parameters related to Hg transport, speciation and methylation/demethylation kinetics within the watershed. Geographic Information Systems (GIS) technology was employed to support the modeling work through storage and geo-processing of spatial and temporal data required by the models and to produce hydrogeological maps for visualization. An ArcGIS geo-database was developed for centralized storage and management of experimental and computed model data and its capabilities were extended over the years using tools such as ModelBuilder combined with Python scripting to automate repetitive tasks, perform statistical analyses and generate maps and reports. The hydrologic geo-database model developed possesses a structure that enables linkage with scalable hydrologic modeling tools/applications to model hydrologic systems, and in this case, enables the testing of the potential impacts of various remediation scenarios on the ORR watersheds. The ArcSDE geo-database can also be used to automate and simplify the process of calling stored GIS and time series data. This geo-database can serve as a tool for contaminant flow and transport analyses which require large amounts of high-quality spatial and temporal data in order to ensure reliability and validity of modeling results. The existing geo-database structure developed for the hydrological modeling at ORR was designed to be replicable for application at other DOE sites. An investigation of downloadable free/open source GIS software along with required security protocols to facilitate online querying of the database was also conducted to determine methods by which project-derived data can be more easily shared with other project stakeholders such as DOE personnel and site contractors. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2003

Superalloy Disk With Dual-Grain Structure Spin Tested

Advanced nickel-base disk alloys for future gas turbine engines will require greater temperature capability than current alloys, but they must also continue to deliver safe, reliable operation. An advanced, nickel-base disk alloy, designated Alloy 10, was selected for evaluation in NASA s Ultra Safe Propulsion Project. Early studies on small test specimens showed that heat treatments that produced a fine grain microstructure promoted high strength and long fatigue life in the bore of a disk, whereas heat treatments that produced a coarse grain microstructure promoted optimal creep and crack growth resistance in the rim of a disk. On the basis of these results, the optimal combination of performance and safety might be achieved by utilizing a heat-treatment technology that could produce a fine grain bore and coarse grain rim in a nickel-base disk. Alloy 10 disks that were given a dual microstructure heat treatment (DMHT) were obtained from NASA s Ultra-Efficient Engine Technology (UEET) Program for preliminary evaluation. Data on small test specimens machined from a DMHT disk were encouraging. However, the benefit of the dual grain structure on the performance and reliability of the entire disk still needed to be demonstrated. For this reason, a high temperature spin test of a DMHT disk was run at 20 000 rpm and 1500 F at the Balancing Company of Dayton, Ohio, under the direction of NASA Glenn Research Center personnel. The results of that test showed that the DMHT disk exhibited significantly lower crack growth than a disk with a fine grain microstructure. In addition, the results of these tests could be accurately predicted using a two-dimensional, axisymmetric finite element analysis of the DMHT disk. Although the first spin test demonstrated a significant performance advantage associated with the DMHT technology, a second spin test on the DMHT disk was run to determine burst margin. The disk burst in the web at a very high speed, over 39 000 rpm, in line with the predicted location and speed. Furthermore, significant growth of the disk was observed before failure, in line with predictions, clearly demonstrating the reliability and safety of the DMHT technology. Although successful spin testing in Ultra Safe's Nickel Disk Program represents a significant milestone for DMHT technology, realistic engine operation will require repeated loading of a DMHT nickel disk. For this reason, a cyclic spin test study of DMHT nickel disk technology has been proposed to start in fiscal year 2003 under NASA's Aviation Safety Program. The goal of this program will be to determine the fatigue failure mechanism in DMHT nickel disks, thereby demonstrating the reliability and safety of DMHT technology under repetitive loading conditions encountered in realistic engine operation.

Gayda, John↗
NASA NTRS1977

Extruded edge members for honeycombs

Edge members in bonded honeycomb panel structures are conventionally made by machining channels in aluminum bars. Open ends are stuffed with honeycomb core, using intumescent adhesive. Less expensive technique eliminates need for stuffing. Extended edges are more reliable, lighter, and easier to install. New manufacturing method may prove useful in fabricating structures such as air-frames, recreational-vehicle frame members, and the like in which weight savings is primary goal.

Haskell, D. R.↗
DOE OSTI2018

Stochastic risk-sensitive market integration for renewable energy: Application to ocean wave power plants

With the expected increase of intermittent renewable energy resources on the electric power grid, short-term reserve markets can prove to be a critical reliability asset. This paper introduces and tests a potential market structure that includes a short-term reserve market for renewable resources where the realized energy is drawn within the bounds of the hourly capacity offered. The study presents a risk-aware stochastic model that determines, based on the day-ahead offer derived using a classic newsvendor formula, the best intraday offers for a renewable energy power plant. The stochastic approach takes into account the uncertainties of energy production and market prices. The proposed risk-sensitive model aims to maximize the renewable power plant's revenues and minimize potential risks of loss in a multi-product multi-timescale market setup. To demonstrate the effectiveness of the proposed formulation, we study the case of a hypothetical 750-kW wave power plant coupled with energy storage. The study shows that the risk of profit loss is not uniformly distributed across the risk-aversion factor space. We also find that the introduction of the short-term reserve market results in a wider range of conditional value at risk while inducing 5% profit increase and a lower profit reduction across the risk range. In addition, the study reveals that the short-term reserve market is profitable for both the system operator and the wave energy power plant considered.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2012

High Level ab initio Predictions of the Energetics of mCO2•(H2O)n (n = 1-3, m = 1-12) Clusters

Electronic structure calculations at the correlated molecular orbital theory and density functional theory levels have been used to generate a reliable set of clustering energies for up to three water molecules in carbon dioxide clusters up to n = 12. The structures and energetics are dominated by Lewis acid-base interactions with hydrogen bonding interactions playing a lesser energetic role. The actual binding energies are somewhat larger than might be expected. The correlated molecular orbital MP2 method and density functional theory with the ωB97X exchange-correlation functional provide good results for the energetics of the clusters but the B3LYP and ωB97X-D functionals do not. Seven CO2 molecules form the first solvent shell about a single H2O with four CO2 molecules interacting with the H2O via Lewis acid-base interactions, two CO2 interacting with the H2O by hydrogen bonds, and the seventh CO2 completing the shell. The Lewis acid-base and weak hydrogen bond interactions between the water molecules and the CO2 molecules are strong enough to disrupt the trimer ring configuration for as few as seven CO2 molecules. Calculated 13C NMR chemical shifts for mCO2•(H2O)n show little change with respect to the number of H2O or CO2 molecules in the cluster. The O-H stretching frequencies do exhibit shifts that can provide information about the interactions between water and CO2 molecules.

Environmental Molecular Sciences Laboratory↗
NASA NTRS2006

Modeling of Transient Flow Mixing of Streams Injected into a Mixing Chamber

Ignition is recognized as one the critical drivers in the reliability of multiple-start rocket engines. Residual combustion products from previous engine operation can condense on valves and related structures thereby creating difficulties for subsequent starting procedures. Alternative ignition methods that require fewer valves can mitigate the valve reliability problem, but require improved understanding of the spatial and temporal propellant distribution in the pre-ignition chamber. Current design tools based mainly on one-dimensional analysis and empirical models cannot predict local details of the injection and ignition processes. The goal of this work is to evaluate the capability of the modern computational fluid dynamics (CFD) tools in predicting the transient flow mixing in pre-ignition environment by comparing the results with the experimental data. This study is a part of a program to improve analytical methods and methodologies to analyze reliability and durability of combustion devices. In the present paper we describe a series of detailed computational simulations of the unsteady mixing events as the cold propellants are first introduced into the chamber as a first step in providing this necessary environmental description. The present computational modeling represents a complement to parallel experimental simulations' and includes comparisons with experimental results from that effort. A large number of rocket engine ignition studies has been previously reported. Here we limit our discussion to the work discussed in Refs. 2, 3 and 4 which is both similar to and different from the present approach. The similarities arise from the fact that both efforts involve detailed experimental/computational simulations of the ignition problem. The differences arise from the underlying philosophy of the two endeavors. The approach in Refs. 2 to 4 is a classical ignition study in which the focus is on the response of a propellant mixture to an ignition source, with emphasis on the level of energy needed for ignition and the ensuing flame propagation issues. Our focus in the present paper is on identifying the unsteady mixing processes that provide the propellant mixture in which the ignition source is to be placed. In particular, we wish to characterize the spatial and temporal mixture distribution with a view toward identifying preferred spatial and temporal locations for the ignition source. As such, the present work is limited to cold flow (pre-ignition) conditions

Voytovych, Dmytro M.↗
NASA NTRS2004

Structural Health Management for Future Aerospace Vehicles

Structural Health Management (SHM) will be of critical importance to provide the safety, reliability and affordability necessary for the future long duration space missions described in America's Vision for Space Exploration. Long duration missions to the Moon, Mars and beyond cannot be accomplished with the current paradigm of periodic, ground based structural integrity inspections. As evidenced by the Columbia tragedy, this approach is also inadequate for the current Shuttle fleet, thus leading to its initial implementation of on-board SHM sensing for impact detection as part of the return to flight effort. However, future space systems, to include both vehicles as well as structures such as habitation modules, will require an integrated array of onboard in-situ sensing systems. In addition, advanced data systems architectures will be necessary to communicate, store and process massive amounts of SHM data from large numbers of diverse sensors. Further, improved structural analysis and design algorithms will be necessary to incorporate SHM sensing into the design and construction of aerospace structures, as well as to fully utilize these sensing systems to provide both diagnosis and prognosis of structural integrity. Ultimately, structural integrity information will feed into an Integrated Vehicle Health Management (IVHM) system that will provide real-time knowledge of structural, propulsion, thermal protection and other critical systems for optimal vehicle management and mission control. This paper will provide an overview of NASA research and development in the area of SHM as well as to highlight areas of technology improvement necessary to meet these future mission requirements.

Prosser, W. H.↗
DOE OSTI2022

Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants

The DNA tensegrity triangle is known to reliably self-assemble into a 3D rhombohedral crystalline lattice via sticky-end cohesion. Here, in this study, the library of accessible motifs is expanded through covalent extensions of intertriangle regions and sticky-end-coordinated linkages of adjacent triangles with double helical segments using both geometrically symmetric and asymmetric configurations. The molecular structures of 18 self-assembled architectures at resolutions of 3.32–9.32 Å are reported; the observed cell dimensions, cavity sizes, and cross-sectional areas agree with theoretical expectations. These data demonstrate that fine control over triclinic and rhombohedral crystal parameters and the customizability of more complex 3D DNA lattices are attainable via rational design. It is anticipated that augmented DNA architectures may be fine-tuned for the self-assembly of designer nanocages, guest–host complexes, and proscriptive 3D nanomaterials, as originally envisioned. Finally, designer asymmetric crystalline building blocks can be seen as a first step toward controlling and encoding information in three dimensions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Reactive sputter deposition of pyrite structure transition metal disulfide thin films: Microstructure, transport, and magnetism

Transition metal disulfides crystallizing in the pyrite structure (e.g., TMS{sub 2}, with TM = Fe, Co, Ni, and Cu) are a class of materials that display a remarkably diverse array of functional properties. These properties include highly spin-polarized ferromagnetism (in Co{sub 1-x}Fe{sub x}S{sub 2}), superconductivity (in CuS{sub 2}), an antiferromagnetic Mott insulating ground state (in NiS{sub 2}), and semiconduction with close to optimal parameters for solar absorber applications (in FeS{sub 2}). Exploitation of these properties in heterostructured devices requires the development of reliable and reproducible methods for the deposition of high quality pyrite structure thin films. In this manuscript, we report on the suitability of reactive sputter deposition from metallic targets in an Ar/H{sub 2}S environment as a method to achieve exactly this. Optimization of deposition temperature, Ar/H{sub 2}S pressure ratio, and total working gas pressure, assisted by plasma optical emission spectroscopy, reveals significant windows over which deposition of single-phase, polycrystalline, low roughness pyrite films can be achieved. This is illustrated for the test cases of the ferromagnetic metal CoS{sub 2} and the diamagnetic semiconductor FeS{sub 2}, for which detailed magnetic and transport characterization are provided. The results indicate significant improvements over alternative deposition techniques such as ex situ sulfidation of metal films, opening up exciting possibilities for all-sulfide heterostructured devices. In particular, in the FeS{sub 2} case it is suggested that fine-tuning of the sputtering conditions provides a potential means to manipulate doping levels and conduction mechanisms, critical issues in solar cell applications. Parenthetically, we note that conditions for synthesis of phase-pure monosulfides and thiospinels are also identified.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Crystal Structure Prediction of Binary Alloys via Deep Potential

Predicting crystal structure has been a challenging problem in physics and materials science for a long time. A reliable energy calculation engine combined with an efficient global search algorithm, such as particle swarm optimization algorithm or genetic algorithm, is needed to conduct crystal structure prediction. In recent years, machine learning-based interatomic potential energy surface models have been proposed, potentially allowing us to perform crystal structure prediction for systems with the accuracy of density functional theory (DFT) and the speed of empirical force fields. In this paper, we employ a previously developed Deep Potential model to predict the intermetallic compound of the aluminum–magnesium system, and find six meta-stable phases with negative or nearly zero formation energy. In particular, Mg 12 Al 8 shows excellent ductility and Mg 5 Al 27 has a high Young's modulus. Based on our benchmark results, we propose a relatively robust structure screening criterion that selects potentially stable structures from the Deep Potential-based convex hull and performs DFT refinement. By using this criterion, the computational cost needed to construct the convex hull with ab initio accuracy can be dramatically reduced.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Establishing coherent momentum-space electronic states in locally ordered materials

Rich momentum-dependent electronic structure naturally arises in solids with long-range crystalline symmetry. Reliable and scalable quantum technologies rely on materials that are either not perfect crystals or non-crystalline, breaking translational symmetry. This poses the fundamental questions of whether coherent momentum-dependent electronic states can arise without long-range order, and how they can be characterized. Here we investigate Bi 2 Se 3 , which exists in crystalline, nanocrystalline, and amorphous forms, allowing direct comparisons between varying degrees of spatial ordering. Through angle-resolved photoemission spectroscopy, we show for the first time momentum-dependent band structure with Fermi surface repetitions in an amorphous solid. The experimental data is complemented by a model that accurately reproduces the vertical, dispersive features as well as the replication at higher momenta in the amorphous form. These results reveal that well-defined real-space length scales are sufficient to produce dispersive band structures, and that photoemission can expose the imprint of these length scales on the electronic structure.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Degradation and corresponding failure mechanism for GaN-based LEDs

The degradation behaviors of high power GaN-based vertical blue LEDs on Si substrates were measured using in-situ accelerated life test. The results show that the dominant failure mechanism would be different during the operation. Besides that, the corresponding associated failure mechanisms were investigated systematically by using different analysis technologies, such as Scan Electron Microscopy, Reflectivity spectroscopy, Transient Thermal Analysis, Raman Spectra, etc. It is shown that initially, the failure modes were mainly originated from the semiconductor die and interconnect, while afterwards, the following serious deterioration of the radiant fluxes was attributed to the package. The interface material and quality, such as die attach and frame, play an important role in determining the thermal performance and reliability. In addition, the heating effect during the operation will also release the compressive strain in the chip. These findings will help to improve the reliability of GaN-based LEDs, especially for the LEDs with vertical structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Mechanical Characteristics of SiC Coating Layer in TRISO Fuel Particles

Tristructural isotropic (TRISO) particles are considered as advanced fuel forms for a variety of fission platforms. While these fuel structures have been tested and deployed in reactors, the mechanical properties of these structures as a function of production parameters need to be investigated in order to ensure their reliability during service. Nanoindentation techniques, indentation crack testing, and half sphere crush testing were utilized in order to evaluate the integrity of the SiC coating layer that is meant to prevent fission product release in the coated particle fuel form. The results are complimented by scanning electron microscopy (SEM) of the grain structure that is subject to change as a function of processing parameters and can alter the mechanical properties such as hardness, elastic modulus, fracture toughness and fracture strength. Through utilization of these advanced techniques, subtle differences in mechanical properties that can be important for in-pile fuel performance can be distinguished and optimized in iteration with processing science of coated fuel particle production.

99 GENERAL AND MISCELLANEOUS↗