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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 523 records · Page 29

Automated Transformation of Lignin Topologies into Atomic Structures with LigninBuilder

Lignin is an abundant aromatic heteropolymer found in secondary plant cell walls and is a potential feedstock for conversion into bioderived fuels and chemicals. Lignin chemical diversity complicates traditional structural studies, and so, relatively little experimental evidence exists for how lignin structure exists in aqueous solution or how lignin polymers respond to changes in their chemical environment. Molecular modeling can address these concerns; however, prior computational structural lignin models typically did not capture lignin heterogeneity, as only a few polymers were considered. LigninBuilder creates a framework for building structural libraries for lignin from existing topological libraries, permitting significantly greater diversity of lignin structures to be sampled at atomic detail. As a demonstration of its capabilities, LigninBuilder was applied to three libraries of lignin from hardwood, softwood, and grass, and the resulting polymer structures were simulated in an aqueous environment. The lignins adopted compact globular structures, as would be expected for polymers in poor solvents. The differences between the libraries were largest when quantifying the packing of nonadjacent aromatic residues, with greater branching within the polymer resulting in poorer aromatic packing. Individual lignin polymers were also found to undergo rapid conformational changes, with the dwell time within a state growing as the square of the molecular weight. This first application of LigninBuilder demonstrates the potential for atomic-level insight into lignin interactions. LigninBuilder is distributed as a plugin to the visualization software VMD, lowering the barrier for modeling lignin structure in diverse environments.

09 BIOMASS FUELS↗

EDX ClaiMM: Digital Resources for the Critical Minerals and Materials Community

Securing critical mineral supply chains is essential for transitioning to a clean energy economy and for maintaining national security. Big-data analytics can serve as a cost-effective means of identifying new domestic critical mineral resources but only if data can be easily located and digested. Using ArcGIS Enterprise Sites, EDX ClaiMM was developed to increase the accessibility of critical minerals data, reducing time spent on data collection and integration. Hosted tools provide rapid visualization and exploration of key datasets, unlocking insights to support resource assessments.

Yesenchak, Rachel↗

Integration and flight demonstration of a high-capacity monogroove heat-pipe radiator

The cancellation of the TDRS-B satellite as the payload for the eighth Space Shuttle mission provided a unique opportunity to demonstrate on-orbit operation of the high-capacity monogroove heat pipe used in the space constructible radiator subsystem. In less than 4 months, a flight experiment was conceived, designed, fabricated, tested, integrated with a payload carrier, installed in the Orbiter Challenger payload bay, and successfully operated in flight. Still color photographs and direct crew visual observation of color changes in a pattern of temperature-sensitive liquid-crystal tapes provided the temperature data necessary to verify successful on-orbit startup and orbital transient response of the heat pipe when subjected to a heat load from its attached electrical heaters. This successful on-orbit demonstration verified analytical design tools and provided confidence in the use of high-capacity heat pipes for future space applications. The flight experiment hardware and the integration and test activities that led to the flight are described, and the actual flight results are compared to analytical performance predictions.

Rankin, J. G.↗

Development of an accelerator-based neutron source to prototype Mo-99 production, part I: A liquid LBE windowless target

In this article, Molybdenum-99 (Mo-99)’s decay product, technetium-99 (Tc-99 m), is one of the most critical isotopes for medical diagnostics. To provide U.S. domestic supply of Mo-99 without using high-enriched uranium (HEU), a subcritical uranium target assembly (UTA) is irradiated by an accelerator-based neutron source to create Mo-99 through fission. This study discusses the development of the accelerator-based neutron source. The high-energy electrons from the accelerator irradiate a liquid lead-bismuth eutectic (LBE) target to produce neutrons. Part I of this work focuses on numerical and experimental analysis towards the development of a liquid LBE windowless target. Unlike the existing windowless targets in literature, the current design creates a vertical free surface for a beam to irradiate. First, a hydrodynamic analysis of the LBE windowless target is performed. Simplified analytical calculations are assisted by 2D computational fluid dynamics (CFD) simulations to design the target, with the focus on eliminating recirculation zones and avoiding cavitation. With the optimized geometry, the experimental study is performed to investigate the flow hydrodynamics using liquid LBE. The experiments (1) compare pressure drop in the system to correlation predictions; (2) visualize the free surface liquid LBE flow from the beam view; (3) validate the LBE flow profile using temperature sensitive paint from the side view; and (4) validate the liquid LBE film thickness using gamma densitometer measurements. Second, the power handling capability of the designed windowless target is investigated. The divider plate in the current design is susceptible to overheating due to the thin LBE film in front. As LBE erosion and corrosion is likely to occur at an LBE velocity of 2.0 m/s and temperature above 500 °C, a power limit of 10 kW of beam power was established to prevent this corrosion from occurring, which is calculated by a Nusselt number correlation. The divider plate surface temperature at 10 kW agrees well with the 3D CFD simulation results. Part I demonstrates the fundamental physics in liquid LBE windowless target design and associated testing. A companion paper, Part II will demonstrate how to couple this windowless target into the Mo-99 production system, including an accelerator system operating under an ultra-high vacuum and the UTA cooled by water at room temperature.

43 PARTICLE ACCELERATORS↗

Advances and challenges in CO2 foam technologies for enhanced oil recovery in carbonate reservoirs

Utilization of surfactants for generating foam has the potential for fluid-mobility control during CO2 flooding processes, leading to improved oil recovery. This manuscript is a review of the most important aspects for the design of CO2-foams with mobility control in carbonate reservoirs, including recent advances in novel surfactants and analytical techniques for analysis of surfactant adsorption on carbonate minerals and their thermal stability. Several key parameters and properties regarding foam transport in porous media are reviewed such as, the minimum pressure gradient required for foam generation, the effects of the partition coefficient of a CO2-soluble surfactant on foam transport in rock cores, visualization of foam flow by either microfluidic or PET/CT imaging processes in heterogeneous or fractured systems and the effect of oil on foam transport under reservoir conditions. Also are discussed the most recent advances of two major foam modeling methods, including the semi-empirical STARS foam model and the population balance model, as well as CO2 foam pilot tests and the factors governing their successes.

Jian, Guoqing↗

Assessment of Local Observation of Atomic Ordering in Alloys via the Radial Distribution Function: A Computational and Experimental Approach

As a powerful analytical technique, atom probe tomography (APT) has the capacity to acquire the spatial distribution of millions of atoms from a complex sample. However, extracting information at the Ångstrom-scale on atomic ordering remains a challenge due to the limits of the APT experiment and data analysis algorithms. The development of new computational tools enable visualization of the data and aid understanding of the physical phenomena such as disorder of complex crystalline structures. Here, we report progress towards this goal using two steps. We describe a computational approach to evaluate atomic ordering in the crystal structure by generating radial distribution functions (RDF). Atomic ordering is rendered as the Fractional Cumulative Radial Distribution Function (FCRDF) which allows for greater visibility of local compositions at short range in the structure. Further, we accommodate in the analysis additional parameters such as uncertainty in the atomic coordinates and the atomic abundance to ascertain short-range ordering in APT data sets. We applied the FCRDF analysis to synthetic and experimental APT data sets for Ni 3 Al. The ability to observe a signal of atomic ordering consistent with the known L1 2 crystal structure is heavily dependent on spatial uncertainty, irrespective of abundance. Detection of atomic ordering is subject to an upper limit of spatial uncertainty of atoms described with Gaussian distributions with a standard deviation of 1.3 Å. The FCRDF analysis was also applied to the APT data set for a six-component alloy, Al 1.3 CoCrCuFeNi. In this case, we are currently able to visualize elemental segregation at the nanoscale, though unambiguous identification of atomic ordering at the Ångstrom (nearest-neighbor) scale remains a goal.

36 MATERIALS SCIENCE↗

Pulse Phase Thermography for Defect Detection and Visualization

Pulse Phase Thermography (PPT) has been reported as a novel powerful technique of the thermal NDE. It employs application of the Discrete Fourier Transform (DFT) to thermal images obtained following flash heating of the front surface of a specimen. The computed phasegrams are excellent for defect visualization in a wide range of materials. This is in part due to their low sensitivity to uneven heating. This work is an attempt to analyze advantages and limitations of PPT. Results of application of the DFT to simulated temperature decays are presented. The temperature evolution on a surface has been simulated based on an analytical solution of the one-dimensional heat diffusion problem. A more sophisticated study has been done for different sizes of defects using numerical solution of the three-dimensional mathematical model. Capabilities of PPT for in-depth scanning and for monitoring of the material loss are discussed. The recommendations for the practical application of the PPT are presented. Experimental results obtained following these recommendations are reported.

Marinetti, Sergio↗

Triptycene-Based Molecular Rods for Langmuir-Blodgett Monolayers

In this report we introduce fully modular synthesis leading to three representative examples of rigid molecular rods that are intended to form sturdy monolayers on various surfaces. These molecules contain two triptycene units that are designed to interlock into a compact "double-decker" structure. Two of the three final products provided suitable crystals for X-ray diffraction (analyzed on synchrotron), allowing deeper insight into packing in the 3-D crystal lattice. The acidity of all three compounds were determined by capillary electrophoresis, and the pK a values ranged between 2.06-2.53. All three rigid rods easily formed Langmuir-Blodgett monolayers (LBMs) on the water-air interfaces, with the area per molecule equal to 55-59 Å 2 /molecule, suggesting tight intermolecular packing. The thickness of all three films reached ~19 Å after transfer to a gold (111) surface, meaning that individual molecules are tilted maximally 38° from the axis perpendicular to the surface. The structure of one of these films on a gold (111) surface was visualized by AFM. These geometrically unique molecules represent promising platforms with a wide scope of applicability in the supramolecular architecture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Experimental investigation of recirculating cells in laminar coaxial jets.

Utilizing several unique means of introducing smoke into the flow field for careful visualization in addition to hot-wire techniques, experiments are performed in a specially designed facility producing laminar flows up to considerably high Reynolds numbers. Characteristics of the cells and the flow conditions that bring them about are documented by smoke photographs in the Reynolds number velocity ratio plane and the results are compared to previous analytical predictions. The cells are found to fall into three categories with different flow characteristics involving unsteadiness in position, and shear layer instabilities which result in higher mixing with the outer streams.-

Warpinski, N. R.↗

Holography through optically active windows

By using two orthogonally polarized reference beams, holograms can be recorded through stressed windows and the reconstructed virtual image will show no stress pattern. As shown analytically, the stress-pattern-free hologram is recordable for any polarization state of the object illumination. Hence, the more efficient nondepolarizing diffuser can be used in performing holography through stressed windows if two reference beams are used. Results are presented for a pair of machined polysulfone windows intended for use in a holographic flow-visualization setup in a single-stage-compressor test rig.

Decker, A. J.↗

Wake Geometry Measurements and Analytical Calculations on a Small-Scale Rotor Model

An experimental investigation was conducted in the Langley 14- by 22-Foot Subsonic Tunnel to quantify the rotor wake behind a scale model helicopter rotor in forward level flight at one thrust level. The rotor system in this test consisted of a four-bladed fully articulated hub with blades of rectangular planform and an NACA 0012 airfoil section. A laser light sheet, seeded with propylene glycol smoke, was used to visualize the vortex geometry in the flow in planes parallel and perpendicular to the free-stream flow. Quantitative measurements of wake geometric proper- ties, such as vortex location, vertical skew angle, and vortex particle void radius, were obtained as well as convective velocities for blade tip vortices. Comparisons were made between experimental data and four computational method predictions of experimental tip vortex locations, vortex vertical skew angles, and wake geometries. The results of these comparisons highlight difficulties of accurate wake geometry predictions.

Ghee, Terence A.↗

A conceptual model for how to design for building envelope characteristics. Impact of thermal comfort intervals and thermal mass on commercial buildings in U.S. climates

The paper presents a simplified conceptual model for energy demand calculations based on building envelope characteristics, thermal mass and local climate. It is based on a network model and lumped analysis of the dynamic process. Characteristic parameters for the buildings are suggested; Driving temperature (DT), Driving temperature difference, (DTD), External Load Temperature (ELT), and Thermal Load Resistance (TLR). The Building Envelope Performance ( BEP 0 ), based on a controlled constant indoor temperature is introduced. Solution techniques using stable explicit forward differences based on analytical solutions are derived. The conceptual model has been used for mapping the Driving temperature difference and introduced two performance factors and . The first factor represents the effect of thermal comfort interval and thermal mass on the energy demand. The latter represents the ratio between cooling and heating energy demand. These three parameters and factors have been visualized on U.S. maps and enable a possibility to communicate the demand of energy, and cooling and the coupling to building characteristics, in a concise way.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Effect of reaction control system jet-flow field interactions on a 0.015 scale model space shuttle orbiter aerodynamic characteristics

The effects of the reaction control system (RCS) jet-flow field interactions on the space shuttle orbiter system during entry are discussed. The primary objective of the test program was to obtain data for the shuttle orbiter configuration to determine control amplification factors resulting from jet interaction between the RCS plumes and the external flow over the vehicle. A secondary objective was to provide data for comparison and improvement of analytic jet interaction prediction techniques. The test program was divided into two phases; (1) force and moment measurements were made with and without RCS blowing, investigating environment parameters (R sub e, Alpha, Beta), RCS plume parameters (Jet pressure ratio, momentum ratio and thrust level), and geometry parameters (RCS pod locations) on the orbiter model, (2) oil flow visualization tests were conducted on a dummy balance at the end of the test.

Monta, W. J.↗

High Velocity Impact Performance of a Dual Layer Thermal Protection System for the Mars Sample Return Earth Entry Vehicle

The Mars Sample Return (MSR) Earth Entry Vehicle (EEV) is currently planned on being released from its Micro-Meteorite/Orbital Debri (MM/OD) shielding housing about two days before the Earth entry phase. This leaves the EEV exposed to incoming MM/OD impacts, potentially damaging the heat shield and compromising its Entry, Decent, and Landing (EDL) integrity. Currently, two materials are proposed to comprise the MSR-EEV heat shield, a dual layer material Heat-shield for Extreme Entry Environment Technology (HEEET) and Phenolic Impregnated Carbon Ablator (PICA). PICA has been well characterized for OD class impacts, ~7km/s high mass impacts, from previous testing done in the Orion program, but hasn't under-gone extensive MM impact testing. HEEET is a rela-tively new material with minimal prior testing in re-gards to High Velocity Impacts (HVI). In order to in-form selectability of a material, it is crucial to under-stand the material performance when faced with an HVI, directly affecting mission success probability.The current measure of a Thermal Protection Sys-tem's (TPS) performance against an HVI is evaluating a thermally sized material against its derived Balistic Limit Equation (BLE). A BLE is generated empirically from multiple shots of HVI testing, and is used as a first order method in evaluating TPS's performance against the expected MM/OD environment. This method has proved useful for previous uniform densi-ty TPS materials, but has never been validated against a dual layer recession material such as HEEET. Testing in the MSR program for FY19 has a re-quirement to assess the effects of a dual layer TPS by testing various thicknesses of HEEET's Recession Layer, seen in Figure 1. From this data, BLE's will be derived for the individual thickness ratio samples, as well as the material as a whole to evaluate if a heritage form of the BLE can capture the complex physics associated with a dual layer system. Crater morpholo-gy will also be assessed with post-test Non-Destructive Evaluation (NDE) methods such as CT scanning to visualize if a BLE can well predict the associated pene-tration depths, since a BLE assumes full disinigration of the impacting particle and is generally only used to size a spherical crater ? disregarding any shrapenel effects from a high density impactor.To inform this analysis, expected MM environ-ments from the Meteoroid Engineering Model (MEM) and analytical equations for mass flux of incoming MM were evaluated against the notional MSR-EEV trajectory [1]. Using those dispersions, a monte-carlo was run to determine the most probable particle pa-rameters, as well as the riskiest in terms of full bondline penetration. From these probabilities, a test matrix was designed to test against bounding cases for the various parameters of the BLE: projectile density, projectile mass, projectile velocity, and the impact angle.This presentation will discuss the performance of the dual layer TPS material HEEET against a wide range of impact kinetic energies and densitites, as well as the comparison of HEEET to PICA in terms of MM/OD performance and selectability criteria.

Libben, B. J.↗

Microscopy X-ray imaging enriched with small angle X-ray scattering for few nanometer resolution reveals shock waves and compression in intense short pulse laser irradiation of solids

Understanding how laser pulses compress solids into high-energy-density states requires diagnostics that simultaneously resolve macroscopic geometry and nanometer-scale structure. Here we present a combined X-ray imaging (XRM) and small-angle X-ray scattering (SAXS) approach that bridges this diagnostic gap. Using the Matter in Extreme Conditions end station at LCLS, we irradiated 25 μm copper wires with 45 fs, 0.9 J, 800 nm pulses at 3.5 × 10 19 W/cm 2 while probing with 8.2 keV XFEL pulses. XRM visualizes the evolution of ablation, compression, and inward-propagating fronts with ∼ 200 nm resolution, while SAXS quantifies their nanometer-scale sharpness via the time-resolved evolution of scattering streaks. The joint analysis reveals that an initially smooth compression steepens into a nanometer-sharp shock front after t sh ≈ (18 ± 3) ps, consistent with an analytical steepening model and hydrodynamic simulations. The front reaches a velocity of c sh ≈ 25 k m / s and a lateral width of several tens of microns, demonstrating direct observation of shock formation and decay at solid density for the first time with few-nanometer precision. This integrated XRM–SAXS method establishes a quantitative, multi-scale diagnostic of laser-driven shocks in dense plasmas relevant to inertial confinement fusion, warm dense matter, and planetary physics.

Kluge, Thomas [Helmholtz-Zentrum Dresden-Rossendor↗

Structural Modeling Using "Scanning and Mapping" Technique

Supported by NASA Glenn Center, we are in the process developing a structural damage diagnostic and monitoring system for rocket engines, which consists of five modules: Structural Modeling, Measurement Data Pre-Processor, Structural System Identification, Damage Detection Criterion, and Computer Visualization. The function of the system is to detect damage as it is incurred by the engine structures. The scientific principle to identify damage is to utilize the changes in the vibrational properties between the pre-damaged and post-damaged structures. The vibrational properties of the pre-damaged structure can be obtained based on an analytic computer model of the structure. Thus, as the first stage of the whole research plan, we currently focus on the first module - Structural Modeling. Three computer software packages are selected, and will be integrated for this purpose. They are PhotoModeler-Pro, AutoCAD-R14, and MSC/NASTRAN. AutoCAD is the most popular PC-CAD system currently available in the market. For our purpose, it plays like an interface to generate structural models of any particular engine parts or assembly, which is then passed to MSC/NASTRAN for extracting structural dynamic properties. Although AutoCAD is a powerful structural modeling tool, the complexity of engine components requires a further improvement in structural modeling techniques. We are working on a so-called "scanning and mapping" technique, which is a relatively new technique. The basic idea is to producing a full and accurate 3D structural model by tracing on multiple overlapping photographs taken from different angles. There is no need to input point positions, angles, distances or axes. Photographs can be taken by any types of cameras with different lenses. With the integration of such a modeling technique, the capability of structural modeling will be enhanced. The prototypes of any complex structural components will be produced by PhotoModeler first based on existing similar components, then passed to AutoCAD for modification and correction of any discrepancies seen in the Photomodeler version of the 3Dmodel. These three software packages are fully compatible. The DXF file can be used to transfer drawings among those packages. To begin this entire process, we are using a small replica of an actual engine blade as a test object. This paper introduces the accomplishment of our recent work.

Amos, Courtney L.↗

Capturing, Analyzing, Maintaining, and Disseminating Shape Memory Material Data Between Information Management Systems

With an increased demand on reducing the time, cost, and effort to develop new materials, Integrated Computational Materials Engineering (ICME) has received widespread attention in various engineering disciplines as a catalyst for significantly reducing experimental testing during the material design process. An ICME approach to design can enable ‘fit-for-purpose’ materials to be realized in engineering applications by incorporating well-understood process-property-performance relationships between the various length and time scales in a material’s structure, enabling material optimization. However, such an approach requires validated multiscale models at the various length scales for a material, which in turn requires a large amount of data, a robust means of storing the data, and the ability to link data to developed material models. The NASA Vision 2040 [1] has identified nine key elements to enabling ICME approaches in system level design, with one being “Data, Information, and Visualization”, thus outlining the importance of a robust information management system for ICME. As the relationship between microstructure, properties, and material performance become better understood and incorporated into multiscale models that can be leveraged in application design, the emergence of new materials with application-driven properties can be realized. One such new material class that has seen growing attention are shape memory materials (SMM), in which a material can transition between a deformed and undeformed state via a reversible phase transformation when subject to a thermal, mechanical, or magnetic load [2]. SMMs have been used widely in aerospace and biomedical industries, including applications such as actuators, low-shock mechanisms, medical staples, braces, and stents [3, 4]. These materials exhibit unique behavior due to their ability to transition between phases, and thus the mechanisms that enable this transition must be captured in a data information management system and incorporated into SMM material models. At NASA Glenn Research Center, the Shape Memory Materials Database (SMMD) Tool has been developed to capture the necessary information that governs SMM material behavior and provide users the ability to select and visualize various SMMs for a specific application [5]. The database contains point-wise data for published SMM materials, along with the pedigree metadata for traceability necessary for a robust information management system. The database is also capable of storing in-house test data performed at NASA GRC by interacting with the developed Shape Memory Alloy (SMA) Analytics tool to extract the necessary point-wise values and populate the database. Although the SMMD Tool offers its users a single, authoritative source for SMM material data that is critical for model development and material design, the full material pedigree of the in-house test data for SMMs is not currently captured and is out of the scope for the SMMD tool. In this work, the schema for capturing SMM test data within the larger NASA GRC ICME Schema [6, 7, 8, 9] will be developed and implemented for thermomechanical tests conducted at NASA GRC. The developed schema will not only store the relevant data needed for the SMMD tool, but also the material pedigree (i.e., production of the bulk material, bulk material analysis, sample cut-out diagrams, sample fabrication procedure, etc.), test pedigree (i.e., test equipment used, measurement systems used, raw test data), and analysis pedigree (i.e., how the data in the SMMD tool is calculated). Furthermore, a Python-based framework will be developed to seamlessly interact between the SMA Analytics and SMMD tools, which will write the full dataset and associated metadata to the GRC Information Management System before passing the required point-wise data to the SMMD tool. Data informatics is a key element of the NASA Vision 2040, which requires not only that data is stored and maintained throughout the material lifecycle, but that the data is also accessible and reusable such that material development efforts can be minimized. Therefore, for an ICME design approach to be realized, a centralized information management system that drives the ICME process must be able to communicate with other databases. The work that will be presented in this presentation will therefore not only demonstrate the ability of NASA GRC’s information management system to capture SMM data, but also its ability to interact with pre-existing tools specialized for such materials.

Data management↗

Information Fusion and Data Analytics for Human Lunar Exploration (CIF REPORT: Detailed PI Write-up)

The Information Fusion & Data Analytics (IFDA) project commenced in FY20, continued through FY21, and its final platform development phase continues in FY22. The objective remains the fusion and rapid accessibility of large quantities of disparate sourced human spaceflight data. IFDA is a platform tailored for NA (S&MA) to develop highly advanced operational data integration and analysis techniques. IFDA leverages the JSC ER7 modeling, simulation,and data fusion capabilities to collect, warehouse, and augment data human exploration data integration and analysis techniques. The IFDA project’s integrated data visualizations have been demonstrated in two validation scenarios in FY21, and provided the architecture and platform basis for development of a full-scale data analysis suite and storage solution useful to all JSC organizations engaged in real time operations and safety tasks. Scenarioand prototypical development including the construction of a full scale data analysis suite and storage solution, useful to all JSC organizations engaged in real time operations and safety tasks, is central to IFDA Phase 3 and provides a demonstrable pathway for the Digital Transformation Program. IFDA Phase 3 is focused on data provider, data utilizer, and SME hands-on workshops that will conclude the Dem / Valphase and deliver a program-ready data integration tool as a product.

information fusion↗