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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
DOE OSTI2025

Confusion-Driven Machine Learning of Structural Phases of a Flexible, Magnetic Stockmayer Polymer

We use a semisupervised, neural-network-based machine learning technique, the confusion method, to investigate structural transitions in magnetic polymers, which we model as chains of magnetic colloidal nanoparticles characterized by dipole–dipole and Lennard-Jones interactions. As input for the neural network, we use the particle positions and magnetic dipole moments of equilibrium polymer configurations, which we generate via replica-exchange Wang–Landau simulations. We demonstrate that by measuring the classification accuracy of neural networks, we can effectively identify transition points between multiple structural phases without any prior knowledge of their existence or location. We corroborate our findings by investigating relevant conventional order parameters. Our study furthermore examines previously unexplored low-temperature regions of the phase diagram, where we find new structural transitions between highly ordered helicoidal polymer configurations.

36 MATERIALS SCIENCE↗
DOE OSTI2026

ZENN: A thermodynamics-inspired computational framework for heterogeneous data–driven modeling

Traditional entropy-based methods—such as cross-entropy loss in classification problems—have long been essential tools for representing the information uncertainty and physical disorder in data and for developing artificial intelligence algorithms. However, the rapid growth of data across various domains has introduced new challenges, particularly the integration of heterogeneous datasets with intrinsic disparities. To address this, we introduce a zentropy-enhanced neural network (ZENN), extending zentropy theory into the data science domain via intrinsic entropy, enabling more effective learning from heterogeneous data sources. ZENN simultaneously learns both energy and intrinsic entropy components, capturing the underlying structure of multisource data. To support this, we redesign the neural network architecture to better reflect the intrinsic properties and variability inherent in diverse datasets. We demonstrate the effectiveness of ZENN on classification tasks and energy landscape reconstructions, showing its superior generalization capabilities and robustness-particularly in predicting high-order derivatives. In image and text classification tasks, ZENN demonstrates superior generalization by introducing a learnable temperature variable that models latent multisource heterogeneity, allowing it to surpass state-of-the-art models on CIFAR-10/100, BBC News, and AG News. As a practical application in materials science, we employ ZENN to reconstruct the Helmholtz energy landscape of Fe3Pt using data generated from density functional theory and capture key material behaviors, including negative thermal expansion and the critical point in the temperature–pressure space. Overall, this work presents a zentropy-grounded framework for data-driven machine learning, positioning ZENN as a versatile and robust approach for scientific problems involving complex, heterogeneous datasets.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Investigation of Additive Manufactured GRCop-42 Alloy Developed by Directed Energy Deposition Methods

GRCop is an alloy family constructed of copper, chromium, and niobium and was developed by NASA for high heat flux applications. GRCop-alloys were specifically formulated for the requirements in channel-cooled main combustion chambers allowing for repeat use in high heat flux environments[1]. GRCop-84 was evolved using additive manufacturing techniques under a NASA development program. To further increase thermal conductivity while maintaining material strength characteristics, the percentage of alloying elements were cut in half and GRCop-42 was developed. In recent years, NASA has successfully additively manufactured GRCop-42 with comparable material characteristics to extrudedGRCop-42 using a Laser Powder Bed Fusion (L-PBF) process. Benefits of this process include fabrication of intricate internal cooling channels as well as a decrease in manufacturing time. However, there are some large disadvantages in using this process. The nature of the powder bed process imposes a strict volume constraint as well as an excessive amount of material inventory required. A Directed Energy Deposition (DED) process addresses these limitations while also speeding up the manufacturing process. With little data on how DED performs with GRCop-42, an investigation into the mechanical properties was conducted. More specifically, Blown Powder Directed Energy Deposition (BPD), was used to compare material properties to that of the L-PBF manufactured GRCop-42. The DED manufactured material was found to have less than 0.1% porosity. Tensile tests concluded that the DED manufactured GRCop-42 had lower tensile strengths at room temperature. The results point towards a process capable of producing fully dense parts capable of meeting mechanical strength requirements with some possible refinement of printing parameters.

GRCop-42↗
NASA NTRS1999

Mineralogy of the Solar System

The coming decade will witnesses the first sample return missions from solar system bodies in 30 years. These samples will all be very small, some missions return only a few milligrams of total mass. Fortunately, the capability of modem methods to characterize ultra-small samples is well established from analysis of interplanetary dust particles (IDPs), interstellar grains recovered from meteorites, and other materials requiring ultra-sensitive analytical capabilities. Powerful analytical techniques are available that require, under favorable circumstances, single particles of only a few nanograms for entire suites of fairly comprehensive characterizations. A returned sample of greater than 1,000 particles with total mass of just one microgram permits comprehensive quantitative geochemical measurements that are impractical to can-y out in situ by flight instruments. With the Galileo flybys of Gaspra and Ida, it is now recognized that even very small airless bodies have indeed developed a particulate regolith. Acquiring a sample of the bulk regolith, a simple sampling strategy, provides two critical pieces of information about the body. Regolith samples are excellent bulk samples since they normally contain all the key components of the local environment, albeit in particulate form. Furthermore, since this fine fraction dominates remote measurements, regolith samples also provide information about surface alteration processes and are a key link to remote sensing of other bodies. Studies indicate that a statistically significant number of nanogram-sized particles should be able to characterize the regolith of a primitive asteroid, although the presence of larger components within even primitive meteorites (e.g.. Murchison), e.g. chondrules, CAI, large crystal fragments, etc., points out the limitations of using data obtained from nanogram-sized samples to characterize entire primitive asteroids. However, most important asteroidal geological processes have left their mark on the matrix, since this is the finest-grained portion and therefore most sensitive to chemical and physical changes. Thus, the following information can be learned from this fine grain size fraction alone: (1) mineral paragenesis; (2) regolith processes, (3) bulk composition; (4) conditions of thermal and aqueous alteration (if any); (5) relationships to planets, comets, meteorites (via isotopic analyses, including oxygen; (6) abundance of water and hydrated material; (7) abundance of organics; (8) history of volatile mobility, (9) presence and origin of presolar and/or interstellar material.

Zolensky, Michael E.↗
DOE OSTI2025

Controlling Preferred Grain Orientation in Vapor-Deposited Metal-Halide Perovskite Thin Films

Metal-halide perovskites are promising semiconductor materials for light-absorber layers in solar cells due to their optimized band gap, defect tolerance, and relative ease of synthesis. In this work, we demonstrate the viability of vapor transport deposition (VTD), a solvent-free processing method, to realize polycrystalline films of both lead iodide (PbI 2 ) and methylammonium lead iodide (MAPbI 3 ) perovskites showing preferential crystallographic orientation. Notable is the difference in perovskite film texturing observed for sequentially and co-deposited VTD films of MAPbI 3 , as well as the lack of strong preferential orientation in solution-processed MAPbI 3 films. While sequential deposition of the perovskite precursors PbI 2 and methylammonium iodide (MAI) leads to a MAPbI 3 film with a limited preferential grain orientation, co-deposited MAPbI 3 films mirror the orientation of excess PbI 2 present in the film. The latter is confirmed by the similar dependence of preferential orientation for PbI 2 and co-deposited MAPbI 3 on underlayer roughness, as well as the emergence of preferential orientation in MAPbI 3 only when excess PbI 2 is present. Both MAPbI 3 and PbI 2 films show a strong preferred lattice orientation on smooth substrates, while on rougher substrates, this orientation is disrupted. Furthermore, these results are interpreted as excess PbI 2 frustrating the diffusion of MAI in the film, which would otherwise disrupt the preferred orientation, pointing to a notable difference in lattice orientation arising from processing technique and conditions.

Deposition↗
NASA NTRS2009

Mitigation of EMU Glove Cut Hazard by MMOD Impact Craters on Exposed ISS Handrails

Recent cut damages to crewmember extravehicular mobility unit (EMU) gloves during extravehicular activity (EVA) onboard the International Space Station (ISS) has been found to result from contact with sharp edges or pinch points rather than general wear or abrasion. One possible source of cut-hazards are protruding sharp edged crater lips from impact of micrometeoroid and orbital debris (MMOD) particles on external metallic handrails along EVA translation paths. During impact of MMOD particles at hypervelocity an evacuation flow develops behind the shock wave, resulting in the formation of crater lips that can protrude above the target surface. In this study, two methods were evaluated to limit EMU glove cut-hazards due to MMOD impact craters. In the first phase, four flexible overwrap configurations are evaluated: a felt-reusable surface insulation (FRSI), polyurethane polyether foam with beta-cloth cover, double-layer polyurethane polyether foam with beta-cloth cover, and multi-layer beta-cloth with intermediate Dacron netting spacers. These overwraps are suitable for retrofitting ground equipment that has yet to be flown, and are not intended to protect the handrail from impact of MMOD particles, rather to act as a spacer between hazardous impact profiles and crewmember gloves. At the impact conditions considered, all four overwrap configurations evaluated were effective in limiting contact between EMU gloves and impact crater profiles. The multi-layer beta-cloth configuration was the most effective in reducing the height of potentially hazardous profiles in handrail-representative targets. In the second phase of the study, four material alternatives to current aluminum and stainless steel alloys were evaluated: a metal matrix composite, carbon fiber reinforced plastic (CFRP), fiberglass, and a fiber metal laminate. Alternative material handrails are intended to prevent the formation of hazardous damage profiles during MMOD impact and are suitable for flight hardware yet to be constructed. Of the four materials evaluated, only the fiberglass formed a less hazardous damage profile than the baseline metallic target. Although the CFRP laminate did not form any noticeable crater lip, brittle protruding fibers are considered a puncture risk. In parallel with EMU glove redesign efforts, modifications to metallic ISS handrails such as those evaluated in this study provide the means to significantly reduce cut-hazards from MMOD impact craters.

Christiansen, Eric L.↗
DOE OSTI2025

A direct-adjoint approach for material point model calibration with application to plasticity

Here, this paper proposes a new approach for the calibration of material parameters in local elastoplastic constitutive models. The calibration is posed as a constrained optimization problem, where the constitutive model evolution equations for a single material point serve as constraints. The objective function quantifies the mismatch between the stress predicted by the model and corresponding experimental measurements. To improve calibration efficiency, a novel direct-adjoint approach is presented to compute the Hessian of the objective function, which enables the use of second-order optimization algorithms. Automatic differentiation is used for gradient and Hessian computations. Two numerical examples are employed to validate the Hessian matrices and to demonstrate that the Newton–Raphson algorithm consistently outperforms gradient-based algorithms such as L-BFGS-B.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Accelerating the Discovery of New, Single Phase High Entropy Ceramics via Active Learning

High-entropy ceramics have garnered interest due to their remarkable hardness, compressive strength, thermal stability, and fracture toughness; yet the discovery of new high-entropy ceramics (out of a tremendous number of possible elemental permutations) still largely requires costly, inefficient, trial-and-error experimental and computational approaches. The entropy forming ability (EFA) factor was recently proposed as a computational descriptor that positively correlates with the likelihood that a 5-metal high-entropy carbide (HECs) will form the desired single phase, homogeneous solid solution; however, discovery of new compositions is computationally expensive. If you consider 8 candidate metals, the HEC EFA approach uses 49 optimizations for each of the 56 unique 5-metal carbides, requiring a total of 2744 costly density functional theory calculations. Here, we describe an orders-of-magnitude more efficient active learning (AL) approach for identifying novel HECs. To begin, we compared numerous methods for generating composition-based feature vectors (e.g., magpie and mat2vec), deployed an ensemble of machine learning (ML) models to generate an average and distribution of predictions, and then utilized the distribution as an uncertainty. Here we then deployed an AL approach to extract new training data points where the ensemble of ML models predicted a high EFA value or was uncertain of the prediction. Our approach has the combined benefit of decreasing the amount of training data required to reach acceptable prediction qualities and biases the predictions toward identifying HECs with the desired high EFA values, which are tentatively correlated with the formation of single phase HECs. Using this approach, we increased the number of 5-metal carbides screened from 56 to 15,504, revealing 4 compositions with record-high EFA values that were previously unreported in the literature. Our AL framework is also generalizable and could be modified to rationally predict optimized candidate materials/combinations with a wide range of desired properties (e.g., mechanical stability, thermal conductivity).

36 MATERIALS SCIENCE↗
NASA NTRS2011

Crack Growth Behavior in the Threshold Region for High Cycle Fatigue Loading

This presentation describes results obtained from a research project conducted at the NASA Johnson Space Center (JSC) that was jointly supported by the FAA Technical Center and JSC. The JSC effort was part of a multi-task FAA program involving several U.S. laboratories and initiated for the purpose of developing enhanced analysis tools to assess damage tolerance of rotorcraft and aircraft propeller systems. The research results to be covered in this presentation include a new understanding of the behavior of fatigue crack growth in the threshold region. This behavior is important for structural life analysis of aircraft propeller systems and certain rotorcraft structural components (e.g., the mast). These components are often designed to not allow fatigue crack propagation to exceed an experimentally determined fatigue crack growth threshold value. During the FAA review meetings for the program, disagreements occurred between the researchers regarding the observed fanning (spread between the da/dN curves of constant R) in the threshold region at low stress ratios, R. Some participants believed that the fanning was a result of the ASTM load shedding test method for threshold testing, and thus did not represent the true characteristics of the material. If the fanning portion of the threshold value is deleted or not included in a life analysis, a significant penalty in the calculated life and design of the component would occur. The crack growth threshold behavior was previously studied and reported by several research investigators in the time period: 1970-1980. Those investigators used electron microscopes to view the crack morphology of the fatigue fracture surfaces. Their results showed that just before reaching threshold, the crack morphology often changed from a striated to a faceted or cleavage-like morphology. This change was reported to have been caused by particular dislocation properties of the material. Based on the results of these early investigations, a program was initiated at JSC to repeat these examinations on a number of aircraft structural alloys that were currently being tested for obtaining fatigue crack growth properties. These new scanning electron microscope (SEM) examinations of the fatigue fracture faces confirmed the change in crack morphology in the threshold crack tip region. In addition, SEM examinations were further performed in the threshold crack-tip region before breaking the specimens open (not done in the earlier published studies). In these examinations, extensive crack forking and even 90-degree crack bifurcations were found to have occurred in the final threshold crack-tip region. The forking and bifurcations caused numerous closure points to occur that prevented full crack closure in the threshold region, and thus were the cause of the fanning at low-R values. Therefore, we have shown that the fanning behavior was caused by intrinsic dislocation properties of the different alloy materials and were not the result of a plastic wake that remains from the load-shedding test phase. Also, to accommodate the use of da/dN data which includes fanning at low R-values, an updated fanning factor term has been developed and will be implemented into the NASGRO fatigue crack growth software. The term can be set to zero if it is desired that the fanning behavior is not be modeled for particular cases, such as when fanning is not a result of the intrinsic properties of a material.

Forman, Royce G.↗
DOE OSTI2026

Transient Catalytic Reaction Analysis Through Signal Defragmentation

The Temporal Analysis of Products (TAP) pulse response technique provides valuable insights into catalytic function and reaction kinetics. However, complex fragmentation patterns in the TAP mass spectrometry signals can complicate precise quantification, particularly when analyzing transient gas flux data typical of TAP experiments. This work demonstrates a standard defragmentation method that deconvolves transient TAP signals while maintaining the temporal resolution of the experiment. First, the integrals of calibration gas fluxes are used to determine the fingerprint fragmentation pattern and construct a fragmentation matrix. This matrix is then used to defragment experimental flux data at each recorded time point via a non-negative least squares regression. The effectiveness of this method is demonstrated using virtual data and control experiments with a TAP reactor system. The defragmentation is then applied to the more complex propane dehydrogenation reaction on a chromia/alumina catalyst, which can contain up to ten significant gas species in the reactor outlet. Initial propane pulsing reveals an induction period during which propane is fully oxidized to CO2, followed by partial reduction to CO. Afterwards, there is a transition in chemistries towards coking and propylene production. Our example illustrates a practical method for the accurate determination of the time-dependent reactant/product concentrations and rates for a thorough analysis of the propane dehydrogenation kinetics. This approach can be broadly applied to any transient mass spectrometry experiment for a better understanding of catalyst-reaction dynamics.

36 - MATERIALS SCIENCE↗
DOE OSTI2024

Reconstructing the reflectivity of liquid surfaces from grazing incidence X-ray off-specular scattering data

The capillary wave model of a liquid surface predicts both the X-ray specular reflection and the diffuse scattering around it. A quantitative method is presented to obtain the X-ray reflectivity (XRR) from a liquid surface through the diffuse scattering data around the specular reflection measured using a grazing incidence X-ray off-specular scattering (GIXOS) geometry at a fixed horizontal offset angle with respect to the plane of incidence. With this approach the entire Q z -dependent reflectivity profile can be obtained at a single, fixed incident angle. This permits a much faster acquisition of the profile than with conventional reflectometry, where the incident angle must be scanned point by point to obtain a Q z -dependent profile. The XRR derived from the GIXOS-measured diffuse scattering, referred to in this paper as pseudo-reflectivity, provides a larger Q z range compared with the reflectivity measured by conventional reflectometry. Transforming the GIXOS-measured diffuse scattering profile to pseudo-XRR opens up the GIXOS method to widely available specular XRR analysis software tools. Here the GIXOS-derived pseudo-XRR is compared with the XRR measured by specular reflectometry from two simple vapor–liquid interfaces at different surface tension, and from a hexadecyltrimethylammonium bromide monolayer on a water surface. For the simple liquids, excellent agreement (beyond 11 orders of magnitude in signal) is found between the two methods, supporting the approach of using GIXOS-measured diffuse scattering to derive reflectivities. Pseudo-XRR obtained at different horizontal offset angles with respect to the plane of incidence yields indistinguishable results, and this supports the robustness of the GIXOS-XRR approach. The pseudo-XRR method can be extended to soft thin films on a liquid surface, and criteria are established for the applicability of the approach.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Determining Sizes of Particles in a Flow from DPIV Data

A proposed method of measuring the size of particles entrained in a flow of a liquid or gas would involve utilization of data from digital particle-image velocimetry (DPIV) of the flow. That is to say, with proper design and operation of a DPIV system, the DPIV data could be processed according to the proposed method to obtain particle sizes in addition to particle velocities. As an additional benefit, one could then compute the mass flux of the entrained particles from the particle sizes and velocities. As in DPIV as practiced heretofore, a pulsed laser beam would be formed into a thin sheet to illuminate a plane of interest in a flow field and the illuminated plane would be observed by means of a charge-coupled device (CCD) camera aimed along a line perpendicular to the illuminated plane. Unlike in DPIV as practiced heretofore, care would be taken to polarize the laser beam so that its electric field would lie in the illuminated plane, for the reason explained in the next paragraph. The proposed method applies, more specifically, to transparent or semitransparent spherical particles that have an index of refraction different from that of the fluid in which they are entrained. The method is based on the established Mie theory, which describes the scattering of light by diffraction, refraction, and specular reflection of light by such particles. In the case of a particle illuminated by polarized light and observed in the arrangement described in the preceding paragraph, the Mie theory shows that the image of the particle on the focal plane of the CCD camera includes two glare spots: one attributable to light reflected toward the camera and one attributable to light refracted toward the camera. The distance between the glare spots is a known function of the size of the particle, the indices of refraction of the particle material, and design parameters of the camera optics. Hence, the size of a particle can be determined from the distance between the glare spots. The proposed method would be implemented in an algorithm that would automatically identify, and measure the distance between, the glare spots for each particle for which a suitable image has been captured in a DPIV image frame. The algorithm (see figure) would begin with thresholding of data from the entire image frame to reduce noise, thereby facilitating discrimination of particle images from the background and aiding in the separation of overlapping particles. It is important not to pick a threshold level so high that the light intensity between a given pair of glare spots does not fall below the threshold value, leaving the glare spots disconnected. The image would then be scanned in a sequence of rows and columns of pixels to identify groups of adjacent pixels that contain nonzero brightnesses and that are surrounded by pixels of zero brightness. Each such group would be assumed to constitute the image of one particle. Each such group would be further analyzed to determine whether the image was saturated; saturated particle images must be rejected because the locations of glare spots in saturated images cannot accurately be determined. Within each unsaturated particle image, the centroids (deemed to be the locations) of the glare spots would be determined by means of gradients of brightness distributions and three-point horizontal and three-point vertical Gaussian estimates based on the brightness values of the brightest pixels and the pixels adjacent to them. If the brightness of a given particle image contained only one peak, then it would be assumed that a second glare spot did not exist and that image would be rejected.

Wernet, M. P.↗
NASA NTRS2006

Trajectory and Aeroheating Environment Development and Sensitivity Analysis for Capsule-shaped Vehicles

Recently, NASA's Exploration Systems Research and Technology Project funded several tasks that endeavored to develop and evaluate various thermal protection systems and high temperature material concepts for potential use on the crew exploration vehicle. In support of these tasks, NASA Langley's Vehicle Analysis Branch generated trajectory information and associated aeroheating environments for more than 60 unique entry cases. Using the Apollo Command Module as the baseline entry system because of its relevance to the favored crew exploration vehicle design, trajectories for a range of lunar and Mars return, direct and aerocapture Earth-entry scenarios were developed. For direct entry, a matrix of cases was created that reflects reasonably expected minimum and maximum values of vehicle ballistic coefficient, inertial velocity at entry interface, and inertial flight path angle at entry interface. For aerocapture, trajectories were generated for a range of values of initial velocity and ballistic coefficient that, when combined with proper initial flight path angles, resulted in achieving a low Earth orbit either by employing a full lift vector up or full lift vector down attitude. For each trajectory generated, aeroheating environments were generated which were intended to bound the thermal protection system requirements for likely crew exploration vehicle concepts. The trades examined clearly pointed to a range of missions / concepts that will require ablative systems as well as a range for which reusable systems may be feasible. In addition, the results clearly indicated those entry conditions and modes suitable for manned flight, considering vehicle deceleration levels experienced during entry. This paper presents an overview of the analysis performed, including the assumptions, methods, and general approach used, as well as a summary of the trajectory and aerothermal environment information that was generated.

Robinson, Jeffrey S.↗
NASA NTRS2013

Acquisition and Retaining Granular Samples via a Rotating Coring Bit

This device takes advantage of the centrifugal forces that are generated when a coring bit is rotated, and a granular sample is entered into the bit while it is spinning, making it adhere to the internal wall of the bit, where it compacts itself into the wall of the bit. The bit can be specially designed to increase the effectiveness of regolith capturing while turning and penetrating the subsurface. The bit teeth can be oriented such that they direct the regolith toward the bit axis during the rotation of the bit. The bit can be designed with an internal flute that directs the regolith upward inside the bit. The use of both the teeth and flute can be implemented in the same bit. The bit can also be designed with an internal spiral into which the various particles wedge. In another implementation, the bit can be designed to collect regolith primarily from a specific depth. For that implementation, the bit can be designed such that when turning one way, the teeth guide the regolith outward of the bit and when turning in the opposite direction, the teeth will guide the regolith inward into the bit internal section. This mechanism can be implemented with or without an internal flute. The device is based on the use of a spinning coring bit (hollow interior) as a means of retaining granular sample, and the acquisition is done by inserting the bit into the subsurface of a regolith, soil, or powder. To demonstrate the concept, a commercial drill and a coring bit were used. The bit was turned and inserted into the soil that was contained in a bucket. While spinning the bit (at speeds of 600 to 700 RPM), the drill was lifted and the soil was retained inside the bit. To prove this point, the drill was turned horizontally, and the acquired soil was still inside the bit. The basic theory behind the process of retaining unconsolidated mass that can be acquired by the centrifugal forces of the bit is determined by noting that in order to stay inside the interior of the bit, the frictional force must be greater than the weight of the sample. The bit can be designed with an internal sleeve to serve as a container for granular samples. This tube-shaped component can be extracted upon completion of the sampling, and the bottom can be capped by placing the bit onto a corklike component. Then, upon removal of the internal tube, the top section can be sealed. The novel features of this device are: center dot A mechanism of acquiring and retaining granular samples using a coring bit without a closed door. center dot An acquisition bit that has internal structure such as a waffle pattern for compartmentalizing or helical internal flute to propel the sample inside the bit and help in acquiring and retaining granular samples. center dot A bit with an internal spiral into which the various particles wedge. center dot A design that provides a method of testing frictional properties of the granular samples and potentially segregating particles based on size and density. A controlled acceleration or deceleration may be used to drop the least-frictional particles or to eventually shear the unconsolidated material near the bit center.

Bar-Cohen, Yoseph↗
NASA NTRS2020

Electrical Cable Design for Urban Air Mobility Aircraft

Urban Air Mobility (UAM) describes a new type of aviation focused on efficient flight within urban areas for moving people and goods. There are many different configurations of UAM vehicles, but they generally use an electric motor driving a propeller or ducted fan powered by batteries or a hybrid electric power generation system. Transmission cables are used to move energy from the storage or generation system to the electric motors. Though terrestrial power transmission cables are well established technology, aviation applications bring a whole host of new design challenges that are not typical considerations in terrestrial applications. Aircraft power transmission cable designs must compromise between resistance-per-length, weight-per-length, volume constraints, and other essential qualities. In this paper we use a multidisciplinary design optimization to explore the sensitivity of these qualities to a representative tiltwing turboelectric UAM aircraft concept. This is performed by coupling propulsion and thermal models for a given mission criteria. Results presented indicate that decreasing cable weight at the expense of increasing cable volume or cooling demand is effective at minimizing maximum takeoff weight (MTO). These findings indicate that subsystem designers should update their modeling approach in order to contribute to system-level optimality for highly-coupled novel aircraft. Mobility (UAM) vehicles have the potential to change urban and intra-urban transport in new and interesting ways. In a series of two papers Johnson et al.1 and Silva et al.2 presented four reference vehicle configurations that could service different niches in the UAM aviation category. Of those, this paper focuses on the Vertical Take-off and Landing (VTOL) tiltwing configuration shown in Figure 1. This configuration uses a turboelectric power system, feeding power from a turbo-generator through a system of transmission cables to four motors spinning large propellers on the wings. Previous work on electric cable subsystems leaves much yet to be explored, especially in the realm of subsystem coupling. Several aircraft optimization studies1, 3, 4 only considered aircraft electrical cable weight and ignored thermal effects. Electric and hybrid-electric aircraft studies by Mueller et al.5 and Hoelzen et al.6 selected a cable material but did not investigate alternative materials. Advanced cable materials have been examined by a number of authors: Alvarenga7 examined carbon nanotube (CNT) conductors for low-power applications. De Groh8, 9 examined CNT conductors for motor winding applications. Behabtu et al.,10 and Zhao et al.11 examined CNT conductors for a general applications. There were some studies that examined the thermal effects of cables but they did not allow the cable material to change; El-Kady12 optimized ground-cable insulation and cooling subject constraints. Vratny13 selected cable material based on vehicle power demand, and required resulting cable heat to be dissipated by the Thermal Management System (TMS). None of these previous studies allowed for the selection of the cable material based on a system level optimization goal. Instead, they focused on sub-system optimality such as minimum weight, which comes at the expense of incurring additional costs for other subsystems. Dama14 selected overhead transmission line materials using a weighting function and thermal constraints. However, that work was not coupled with any aircraft subsystems like a TMS. The traditional aircraft design approach, which relies on assembling groups of optimal subsystems, breaks down when considering novel aircraft concepts like the tiltwing vehicle. In a large part, this is because novel concepts have a much higher degree of interaction or coupling between subsystems. For example, when a cable creates heat, this heat needs to be dissipated by the TMS, which needs power supplied by the turbine, and delivering the power creates more heat. The cable, the TMS, and the turbine are all coupled. A change to one subsystem will affect all the other subsystems, much to the consternation of subsystem design experts. Multidisciplinary optimization is the design approach that can address these challenges. However, to fully take advantage of this, we must change the way we think about subsystem design. Specifically, we must move away from point design, and focus on creating solution spaces. The work presented in this paper uses the multidisciplinary optimization approach with aircraft level models to study the system-level sensitivity of cable traits: weight-per-length and resistance-per-length. Additionally, we examined the effects of vehicle imposed volume constraints on these traits. This is useful for three purposes: (1) to demonstrate a framework that can perform a coupled analysis between the aircraft thermal and propulsion systems, (2) to provide a method by which future cable designs can be evaluated against each other given a system-level design goal, (3) to provide insight into what cable properties may be promising for future research. This last element is explored given the caveat that the models contained in this analysis do not represent high-fidelity systems. Thus, while we can demonstrate coupling in between systems, the exact system-level sensitivity to a given parameter may change if a subsystem model or the assumptions governing that model change. The organization of this paper is as follows, in Sec II we outline a method to combine the VTOL vehicle design and cable information in order to produce cables sensitivity studies. Results analysis and discussion are contained in Sec III. Conclusions are presented in Sec IV.

Aretskin-Hariton, Eliot D.↗
NASA NTRSDate not supplied

Developing Procedures to Implement Geometric Imperfections Beyond Right Circular Cylindrical Shells in Finite Element Method Models

Analysis of aerospace structures is frequently conducted using nominal dimensions and frequently assumes ideal conditions in loading, contact, constraints, et cetera. Off-nominal dimensions and nonideal conditions, however, are present in all structures. These are the result of widely ranging causes from coefficient of thermal expansion mismatches, manufacturing tooling anomalies, to assembly procedures that inadvertently alter the structure. Specifically, geometric imperfections can have potentially significant influence on the response of a structural test article observed in an experiment versus the response given by a numerical simulation. The Python Tool for Implementing Geometric Imperfections in Reduced Structures (Py_TIGIRS) was previously presented as a set of Python scripts to calculate and implement as-manufactured geometric midsurface and thickness imperfections into finite element method (FEM) shell models of nominally right circular cylinders. By taking advantage of the simple shape of a right circular cylinder, interpolations of the measured data points were able to be performed along directions that aligned to the cylindrical coordinate system axes of the entire structure. By taking advantage of the shell representation of the real structure as opposed to modeling using a continuum representation, the thickness variation was able to be implemented by shell section definitions instead of having to modify the position of multiple nodes in the thickness direction. Py_TIGIRS is a useful tool that established a procedural example on how to implement geometric imperfections in right circular cylindrical shell structures. Three new procedures, each expanded from concepts established in Py_TIGIRS, are proposed for various test-article designs and are intended to broaden the range of structures that can be modeled with measured geometric imperfections in the structural analysis community. Each test-article design introduces new challenges to successfully implement geometric imperfections into a FEM model. The first test-article design consists of a carbon fiber reinforced polymer square plate with a hat-shaped stiffener co-cured on one side. This test-article design was for a novel seven-point bend test that was also previously presented. Manufacturing and cure-cycle imperfections are observed using digital image correlation (DIC) techniques. As thermal expansion coefficient mismatches between the plate and stiffener materials were anticipated, a thermal analysis study with continuum shell and solid elements was conducted to capture the global shape observed prior to testing. The second test-article design is of a similar hat-stiffened plate configuration, but with a side length ratio near 3:1 with elongation in the stiffener direction. The test article was used to characterize the response to uniaxial compressive loading in the direction of the stiffener. Due to differing manufacturing steps, a thermal analysis like the one developed for the seven-point bend configuration was unable to mimic the observed geometric imperfections. Instead, a strategy based on applying deformations directly to the structure during analysis was developed for continuum shell and solid element representation of a stiffened panel.

Geometric imperfections↗
NASA NTRS2000

TPS Materials and Costs for Future Reusable Launch Vehicles

There is considerable interest in developing new reusable launch vehicles (RLVs) for reducing the cost of transporting payload to and from orbit. This work reviews thirteen candidate thermal protection system (TPS) options currently available for RLVs. It is useful to begin with the current Shuttle TPS layout as a reference. The nose cap and wing leading edge , which reach the highest temperatures, are made of reinforced carbon-carbon (RCC) that is protected from oxidation by an external coating (about 0.020" thick) of silicon-carbide. Most of the windward surface is 9 lb/cubic ft ceramic tiles (LI-900) with a thin (about 0.012") coating of Reaction Cured Glass (RCG). The leeward side of the vehicle is covered largely by AFRSI, a quilted ceramic blanket, and FRSI, a polyamide felt. These four materials can be considered first generation reusable TPS. Since the time of the Shuttle design, considerable progress has been made advancing TPS technologies in terms of thermal performance, robustness, and cost. For each of the major systems, a second generation ceramic TPS has been developed, tested, and characterized. Metallic-based systems have also been developed. For applications requiring RCC in the past, advanced carbon-carbon (ACC) is now available. This material has better mechanical properties, somewhat higher temperature capability to 2900F and greatly increased oxidation resistance. New carbon fiber reinforced silicon-carbide matrix composites (C/SiCs) have shown additional improvement in properties over ACC with use temperatures to 3000F and above. For rigid tiles, NASA Ames has made two significant advancements. The first is a tile substrate called Alumina Enhanced Thermal Barrier, or AETB, that incorporates alumina fibers for improved dimensional stability at high temperatures, to 2600F and above. This material can be made to densities as low as 8 lb/cubic ft. The second is a coating preparation called Toughened Uni-piece Fibrous Insulation, or TUFT, that penetrates about 0.1 in. into the tile substrate. The resulting composite, with a functionally gradient density near the surface, provides orders of magnitude increased damage resistance compared with RCG coated LI-900, with only a small weight increase. The TPS that combines these two developments is called AETB-8/TUFI and has been adopted for high damage areas on the Shuttles. Two notable developments have occur-red in flexible ceramic blanket technology. The first is aluminoborosilicate-based fibers with use temperatures of 2200F and above," in comparison to quartz and silica fiber used in AFRSI which have multi-use temperature limits of 1200 to 1400F. Blankets incorporating these new high temperature fibers are referred to as AFRSI-HT. The second is an integral weaving techniques that produces a fluted core blanket with a smoother surface and greater resistance to aero-acoustic noise, to levels as high as 170 dB. This Ames innovation is called Tailorable Advanced Blanket Insulation, or TABI. Finally, for felt-based TPS, Boeing is developing Polybenzimidazole Blanket Insulation, or PBI, with a multi-use temperature limit of 1000F and above, in contrast to Shuttle FRSI which has a multi-use temperature limit of about 700F. 1.6 NASA Langley and BF Goodrich (formerly Rohr Corp.) have led the development of metallic-based TPS. This activity uses essentially three approaches: metallic tiles which encase a fibrous ceramic batting in a box fabricated largely from metallic honeycombs, typically Nickel based alloys; metallic honeycomb sheets, made of Nickel-based alloys, incorporating a fibrous back-side insulation encapsulated in a metallic foil bag, providing reduced weight; and metallic multi-wall, which is comprised of dimpled Titanium metal sheets, which are stacked and then diffusion bonded at contact points to form the TPS. The Nickel-based systems can be used up to temperatures of about 1800F, and the Titanium system to about 100F. These thirteen TPS materials have pros and cons to their usage in terms of temperature capability, weight, initial cost, and maintenance. Carbon-carbon and C/SiC systems have the highest temperature capability but are relatively expensive and heavy, requiring significant time, expertise, and costly facilities and tools for design and fabrication. Second generation ceramic tiles are relatively light, durable, simple to fabricate and easy to install; however, waterproofing is a concern. Blankets and felts are light, simple, inexpensive, and easy to install over curved vehicle surfaces, but durability and waterproofing are concerns. Metallics are robust and appear to have eliminated waterproofing, but they tend to be heavy and relatively expensive, requiring costly facilities and tools. If thin metal sheets are used to reduce weights, then issues arise from possible metal fatigue and corrosion caused by thermal cycling, pressure oscillations, and environmental exposure. For application to future RLVs, system analyses show that a significant component of the vehicle life cycle cost is from the TPS; however, it is difficult to quantify and to compare the potential savings of advanced systems without performing full vehicle designs using each of the different options. Because this entails a considerable effort and also tends to submerge TPS cost impacts under unrelated vehicle design assumptions, there is a clear need for a simpler quantitative method to evaluate the cost impact of different TPS options. To this end, this work introduces a TPS life-cycle cost parameter which is easily computed and applicable to generic RLVs.

Rasky, Dan J.↗
DOE OSTI2025

LTAU-FF: Loss Trajectory Analysis for Uncertainty in atomistic Force Fields

Model ensembles are effective tools for estimating prediction uncertainty in deep learning atomistic force fields. However, their widespread adoption is hindered by high computational costs and overconfident error estimates. In this work, we address these challenges by leveraging distributions of per-sample errors obtained during training and employing a distance-based similarity search in the model latent space. Our method, which we call LTAU (Loss Trajectory Analysis for Uncertainty), efficiently estimates the full probability distribution function of errors for any test point using the logged training errors, achieving speeds that are 2–3 orders of magnitudes faster than typical ensemble methods and allowing it to be used for tasks where training or evaluating multiple models would be infeasible. We apply LTAU towards estimating parametric uncertainty in atomistic force fields (LTAU-FF), demonstrating that it produces well-calibrated confidence intervals and predicts errors that correlate strongly with the true errors for data near the training domain. Furthermore, we show that the errors predicted by LTAU-FF can be used in practical applications for detecting out-of-domain data, tuning model performance, and predicting failure during simulations. We believe that LTAU will be a valuable tool for uncertainty quantification in atomistic force fields and is a promising method that should be further explored in other domains of machine learning.

97 MATHEMATICS AND COMPUTING↗