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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 595 records · Page 33

1-D Numerical Analysis of RBCC Engine Performance

An RBCC engine combines air breathing and rocket engines into a single engine to increase the specific impulse over an entire flight trajectory. Considerable research pertaining to RBCC propulsion was performed during the 1960's and these engines were revisited recently as a candidate propulsion system for either a single-stage-to-orbit (SSTO) or two-stage-to-orbit (TSTO) launch vehicle. There are a variety of RBCC configurations that had been evaluated and new designs are currently under development. However, the basic configuration of all RBCC systems is built around the ejector scramjet engine originally developed for the hypersonic airplane. In this configuration, a rocket engine plays as an ejector in the air-augmented initial acceleration mode, as a fuel injector in scramjet mode and the rocket in all rocket mode for orbital insertion. Computational fluid dynamics (CFD) is a useful tool for the analysis of complex transport processes in various components in RBCC propulsion systems. The objective of the present research was to develop a transient 1-D numerical model that could be used to predict flow behavior throughout a generic RBCC engine following a flight path.

Han, Samuel S.↗

Biological Parts for Plant Biodesign to Enhance Land-Based Carbon Dioxide Removal

A grand challenge facing society is climate change caused mainly by rising CO 2 concentration in Earth’s atmosphere. Terrestrial plants are linchpins in global carbon cycling, with a unique capability of capturing CO 2 via photosynthesis and translocating captured carbon to stems, roots, and soils for long-term storage. However, many researchers postulate that existing land plants cannot meet the ambitious requirement for CO 2 removal to mitigate climate change in the future due to low photosynthetic efficiency, limited carbon allocation for long-term storage, and low suitability for the bioeconomy. To address these limitations, there is an urgent need for genetic improvement of existing plants or construction of novel plant systems through biosystems design (or biodesign). Here, we summarize validated biological parts (e.g., protein-encoding genes and noncoding RNAs) for biological engineering of carbon dioxide removal (CDR) traits in terrestrial plants to accelerate land-based decarbonization in bioenergy plantations and agricultural settings and promote a vibrant bioeconomy. Specifically, we first summarize the framework of plant-based CDR (e.g., CO 2 capture, translocation, storage, and conversion to value-added products). Then, we highlight some representative biological parts, with experimental evidence, in this framework. Finally, we discuss challenges and strategies for the identification and curation of biological parts for CDR engineering in plants.

59 BASIC BIOLOGICAL SCIENCES↗

Self-driving laboratories to autonomously navigate the protein fitness landscape

Abstract Protein engineering has nearly limitless applications across chemistry, energy and medicine, but creating new proteins with improved or novel functions remains slow, labor-intensive and inefficient. Here we present the Self-driving Autonomous Machines for Protein Landscape Exploration (SAMPLE) platform for fully autonomous protein engineering. SAMPLE is driven by an intelligent agent that learns protein sequence–function relationships, designs new proteins and sends designs to a fully automated robotic system that experimentally tests the designed proteins and provides feedback to improve the agent’s understanding of the system. We deploy four SAMPLE agents with the goal of engineering glycoside hydrolase enzymes with enhanced thermal tolerance. Despite showing individual differences in their search behavior, all four agents quickly converge on thermostable enzymes. Self-driving laboratories automate and accelerate the scientific discovery process and hold great potential for the fields of protein engineering and synthetic biology.

Rapp, Jacob T. (ORCID:0000000226835204)↗

An open-access simulated earthquake ground-motion database for an M7 Hayward Fault earthquake in the San Francisco Bay Region

Comprehensive understanding of earthquake ground motions, particularly in the near-fault region of large-magnitude events, is limited by gaps in strong-motion data. This challenge is prominent in areas with high seismic hazard but infrequent large earthquakes where data is sparse and difficult to interpret. These data limitations lead to uncertainties in the development of site-specific ground motions, which are crucial for engineering risk assessments. To address these challenges, physics-based regional-scale ground-motion simulations have been developed. With the emergence of exaflop-scale computing ecosystems, it is now possible to simulate regional earthquake processes at unprecedented fidelity and generate the large number of fault rupture realizations necessary to characterize both intra- and inter-event ground-motion variability. This article introduces a new database of simulated earthquake ground motions, created for applications in earthquake engineering, earthquake planning, and emergency response. The inaugural version of the database features simulated ground motions for a magnitude 7 Hayward Fault earthquake in the San Francisco Bay Region (SFBR), using the EarthQuake SIMulation (EQSIM) simulation framework and the Graves–Pitarka kinematic rupture model. The aim is to provide high-fidelity, spatially dense, three-component motions generated on the Department of Energy’s (DOE) newest generation of graphics processing unit (GPU)-accelerated supercomputers. These motions are being made openly available to the engineering, scientific, and disaster planning communities. In addition, this work develops protocols for the efficient dissemination of these large data sets and emphasizes community engagement to build confidence in their application. This article discusses the methodology behind the data, underlying software verification and validation, scalable data management, and a user interface for data access. The goal is to facilitate widespread use and elicit expert feedback to maximize the utility and exploitation of simulated motions. While the initial focus is on the San Francisco Region, simulations for additional regions will be added as the DOE program progresses.

Simulated ground-motion database↗

Application of waverider-based configurations to hypersonic vehicle design

The hypersonic waverider concept is explored in the context of aircraft design and optimization. Waveriders are vehicles which provide the highest known values of lift-to-drag ratio, suggesting that they are ideal for hypersonic cruise applications. However, these high lift-to-drag ratios are not retained with engine integration. It is shown that waveriders may have applications to the design of accelerating vehicles, even though high L/D is no longer a priority, because they exhibit relatively low drag, and have highly desirable properties for engine/airframe integration. Along these lines, waveriders provide highly uniform flowfields, making them ideal for forebodies on engine-airframe integrated configurations. The inverse design methodology of a waverider lends itself readily to the vehicle design process. Characteristics which govern the performance of a hypersonic vehicle for cruise and accelerating flight are examined, and applied to waverider vehicle design. Finally, it is shown that waveriders, though configured for the specific shock flowfield of a single design point, have acceptable off-design performance characteristics.

Lewis, Mark J.↗

From bench to biofactory: high-throughput technologies and automated workflows to accelerate biomanufacturing

Microbial production of target molecules has advanced significantly in recent years driven by innovations in enzyme engineering, DNA synthesis, and genomic editing. However, to access the massive potential of microbial production, a vast parametric space remains to be investigated to optimize these biobased processes for a robust bioeconomy. Here, we review the current state of the art, some key challenges and possible solutions. We see a critical role of automation, high-throughput technologies, self-driving and cloud labs, and data management to enable Artificial Intelligence/Machine Learning and mechanistic models to overcome the design space challenges and accelerate the development of novel bio-based solutions. Accurate models will expedite the development and scale-up of engineered microbes for a range of final products from many starting materials.

Petzold, Christopher J↗

Dark-field x-ray microscopy for 2D and 3D imaging of microstructural dynamics at the European x-ray free-electron laser

Dark field x-ray microscopy (DXFM) can visualize microstructural distortions in bulk crystals. Using the femtosecond x-ray pulses generated by x-ray free-electron lasers (XFELs), DFXM can achieve sub-μm spatial resolution and <100 fs time resolution simultaneously. In this paper, we demonstrate ultrafast DFXM measurements at the European XFEL to visualize an optically driven longitudinal strain wave propagating through a diamond single crystal. We also present two DFXM scanning modalities that are new to the XFEL sources: spatial 3D and 2D axial-strain scans with sub-μm spatial resolution. With this progress in XFEL-based DFXM, we discuss new opportunities to study multi-timescale spatiotemporal dynamics of microstructures.

47 OTHER INSTRUMENTATION↗

Pursuing Heteroleptic Ligand Design Principles for Photoactive Fe Complexes with Ultrafast X-ray Emission and Variable-Temperature Optical Spectroscopies

Understanding the key parameters that govern the photophysical and photochemical properties of transition metal complexes is essential for the development of efficient photosensitizers for photocatalytic applications. Achieving this objective necessitates clear and detailed investigations of their electronic excited states, for which time-resolved metal Kβ X-ray emission spectroscopy (XES) has proven highly effective. Here, we present a time-resolved Fe Kβ XES study of a heteroleptic Fe(II) polypyridyl carbene complex, [Fe(phen) 2 (C 4 H 10 N 4 )] 2+ (1; phen = 1,10-phenanthroline), utilizing both the valence-to-core and Kβ mainline spectral regions, complemented by variable-temperature transient optical absorption (VT-TA) spectroscopy. Detailed analysis of the time-resolved Kβ XES data, supported by density functional theory (DFT) calculations and an Eyring analysis of the VT-TA data, reveals parallel excited state relaxation dynamics that support an assignment of the long-lived excited state to a triplet metal-centered state. Placing these results in the context of prior studies of heteroleptic Fe(II) polypyridyl cyanide complexes motivated a series of DFT calculations to investigate the effects of ligand structural flexibility and arrangement. These calculations reinforce the experimentally derived conclusion that constraining structural flexibility with multidentate ligands significantly impacts the excited state relaxation dynamics. Furthermore, our study emphasizes that the arrangement of strong field ligands in heteroleptic complexes substantially affects the energy of Jahn–Teller active triplet metal-centered states in low-spin d 6 metal complexes. Together, these findings provide synthetic design principles for extending metal-to-ligand charge transfer excited state lifetimes of heteroleptic Fe complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Training a Neural Network on Analog TaO x ReRAM Devices Irradiated With Heavy Ions: Effects on Classification Accuracy Demonstrated With CrossSim

The image classification accuracy of a TaO x ReRAM-based neuromorphic computing accelerator is evaluated after intentionally inducing a displacement damage up to a fluence of 10 14 2.5-MeV Si ions/cm 2 on the analog devices that are used to store weights. Results are consistent with a radiation-induced oxygen vacancy production mechanism. When the device is in the high-resistance state during heavy ion radiation, the device resistance, linearity, and accuracy after training are only affected by high fluence levels. Here, the findings in this paper are in accordance with the results of previous studies on TaO x -based digital resistive random access memory. When the device is in the low-resistance state during irradiation, no resistance change was detected, but devices with a 4-kΩ inline resistor did show a reduction in accuracy after training at 10 14 2.5-MeV Si ions/cm 2 . This indicates that changes in resistance can only be somewhat correlated with changes to devices’ analog properties. This paper demonstrates that TaO x devices are radiation tolerant not only for high radiation environment digital memory applications but also when operated in an analog mode suitable for neuromorphic computation and training on new data sets.

42 ENGINEERING↗

Vibrations measured in the passenger cabins of two jet transport aircraft

Accelerations in the lateral and vertical directions were measured at two locations on the floor of a three-jet-engine aircraft and at two locations on the floor of a two-jet-engine aircraft during a total of 13 flights, each of which included taxiing, takeoff, ascent, cruise, descent, and landing. Accelerations over the frequency range 0 to 25 Hz were recorded continuously on magnetic tape and were synchronized with the VGH recorders in the aircraft so that vibratory accelerations could be correlated with the operating conditions of the aircraft. From the results it was indicated that the methodology used in segmenting the data, which were obtained in a continuous and repetitive manner, contributes to establishing baseline data representative of the flight characteristics of aircraft. Significant differences among flight conductions were found to occur. The lateral accelerations were approximately 15 percent of the vertical accelerations during flight but as much as 50 to 100 percent of the vertical accelerations during ground operations. The variation between the responses of the two aircraft was not statistically significant. The results also showed that more than 90 percent of the vibratory energy measured during flight occurred in the 0- to 3.0-Hz frequency range. Generally, the vibration amplitudes were normally distributed.

Catherines, J. J.↗

Magnetic insulation for plasma propulsion

The design parameters of effective magnetic insulation for plasma engines are discussed. An experimental model used to demonstrate the process of plasma acceleration and magnetic insulation is considered which consists of a copper strap that is wound around a glass tube and connected to a capacitor. In order to adequately model the magnetic insulation mechanisms, a computer algorithm is developed. Plasma engines, with their efficient utilization of the propellant mass, are expected to provide the next-generation advanced propulsion systems.

Gonzalez, Dora E.↗

Physics-Based Fragment Acceleration Modeling for Pressurized Tank Burst Risk Assessments

As part of comprehensive efforts to develop physics-based risk assessment techniques for space systems at NASA, coupled computational fluid and rigid body dynamic simulations were carried out to investigate the flow mechanisms that accelerate tank fragments in bursting pressurized vessels. Simulations of several configurations were compared to analyses based on the industry-standard Baker explosion model, and were used to formulate an improved version of the model. The standard model, which neglects an external fluid, was found to agree best with simulation results only in configurations where the internal-to-external pressure ratio is very high and fragment curvature is small. The improved model introduces terms that accommodate an external fluid and better account for variations based on circumferential fragment count. Physics-based analysis was critical in increasing the model's range of applicability. The improved tank burst model can be used to produce more accurate risk assessments of space vehicle failure modes that involve high-speed debris, such as exploding propellant tanks and bursting rocket engines.

Acceleration↗

Machine Learning meets Algebraic Combinatorics: A Suite of Benchmark Datasets to Accelerate AI for Mathematics Research

The use of benchmark datasets has become an important engine of progress in machine learning (ML) over the past 15 years. Recently there has been growing interest in utilizing machine learning to drive advances in research-level mathematics. However, off-the-shelf solutions often fail to deliver the types of insights required by mathematicians. This suggests the need for new ML methods specifically designed with mathematics in mind. The question then is: what benchmarks should the community use to evaluate these? On the one hand, toy problems such as learning the multiplicative structure of small finite groups have become popular in the mechanistic interpretability community whose perspective on explainability aligns well with the needs of mathematicians. While toy datasets are a useful benchmark for initial work, they lack the scale, complexity, and sophistication of many of the principal objects of study in modern mathematics. To address this, we introduce a new collection of benchmark datasets, Algebraic Combinatorics Benchmarks (ACBench), representing either classic or open problems in algebraic combinatorics, a subfield of mathematics that studies discrete structures arising from abstract algebra. After describing the datasets, we discuss the challenges involved in constructing “good” mathematics benchmarks, describe baseline model performance, and discuss some of the insights these datasets can provide that may be of interest even to those who are not interested in mathematics research itself.

97 MATHEMATICS AND COMPUTING↗

Optimization of Fatigue Test Signal Compression Using the Wavelet Transform (Final Report)

This report summarizes Sandia National Laboratories (SNL) contribution to ATA Engineering, Inc's (ATA) project for the Naval Air Systems Command (NAVAIR), entitled "Optimization of Fatigue Test Signal Compression Using the Wavelet Transform." Sandia National Laboratories were a subcontractor to ATA. We were involved because this was a Small Business Technology Transfer (STTR) project that required ATA to partner with a national laboratory or academic institution. ATA selected SNL, and specifically the Environments Engineering Department (1557) because ATA has a long-standing working relationship with this department and the department staff have experience in environment definition, signal processing, fatigue testing protocols and traditional methods of generating inputs for accelerated fatigue testing.

42 ENGINEERING↗

A Monte Carlo Approach to Modeling the Breakup of the Space Launch System EM-1 Core Stage with an Integrated Blast and Fragment Catalogue

The Liquid Propellant Fragment Overpressure Acceleration Model (L-FOAM) is a tool developed by Bangham Engineering Incorporated (BEi) that produces a representative debris cloud from an exploding liquid-propellant launch vehicle. Here it is applied to the Core Stage (CS) of the National Aeronautics and Space Administration (NASA) Space Launch System (SLS launch vehicle). A combination of Probability Density Functions (PDF) based on empirical data from rocket accidents and applicable tests, as well as SLS specific geometry are combined in a MATLAB script to create unique fragment catalogues each time L-FOAM is run-tailored for a Monte Carlo approach for risk analysis. By accelerating the debris catalogue with the BEi blast model for liquid hydrogen / liquid oxygen explosions, the result is a fully integrated code that models the destruction of the CS at a given point in its trajectory and generates hundreds of individual fragment catalogues with initial imparted velocities. The BEi blast model provides the blast size (radius) and strength (overpressure) as probabilities based on empirical data and anchored with analytical work. The coupling of the L-FOAM catalogue with the BEi blast model is validated with a simulation of the Project PYRO S-IV destruct test. When running a Monte Carlo simulation, L-FOAM can accelerate all catalogues with the same blast (mean blast, 2 σ blast, etc.), or vary the blast size and strength based on their respective probabilities. L-FOAM then propagates these fragments until impact with the earth. Results from L-FOAM include a description of each fragment (dimensions, weight, ballistic coefficient, type and initial location on the rocket), imparted velocity from the blast, and impact data depending on user desired application. LFOAM application is for both near-field (fragment impact to escaping crew capsule) and far-field (fragment ground impact footprint) safety considerations. The user is thus able to use statistics from a Monte Carlo set of L-FOAM catalogues to quantify risk for a multitude of potential CS destruct scenarios. Examples include the effect of warning time on the survivability of an escaping crew capsule or the maximum fragment velocities generated by the ignition of leaking propellants in internal cavities.

Richardson, Erin↗

Structures-propulsion interactions and requirements

The effects of low-thrust primary propulsion system characteristics on the mass, area, and orbit transfer characteristics of large space systems (LSS) were determined. Three general structural classes of LSS were considered, each with a broad range of diameters and nonstructural surface densities. While transferring the deployed structure from LEO and to GEO, an acceleration range of 0.02 to 0.1 g's was found to maximize deliverable payload based on structural mass impact. After propulsion system parametric analyses considering four propellant combinations produced values for available payload mass, length and volume, a thrust level range which maximizes deliverable LSS diameter was determined corresponding to a structure and propulsion vehicle. The engine start and/or shutdown thrust transients on the last orbit transfer (apogee) burn can impose transient loads which would be greater than the steady-state loads at the burnout acceleration. The effect of the engine thrust transients on the LSS was determined from the dynamic models upon which various engine ramps were imposed.

Coyner, J. V.↗

Two dimensional wedge/translating shroud nozzle

A jet propulsion exhaust nozzle is reported for multi-engine installations which produces high internal/external, thrust-minus-drag, performance for transonic cruise or transonic acceleration as well as improved performance at subsonic and supersonic speeds. A two dimensional wedge/translating shroud provides the variable nozzle exit geometry needed to achieve high engine performance over a wide range of throttle power settings.

Maiden, D. L.↗