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Multimodal synchrotron analysis uncovers how Co, Mn, and Al dopants mitigate degradation and reinforce structural integrity in LiNiO 2 cathodes.
An integrated flight and propulsion control system has been developed and flight demonstrated on the NASA Ames-Dryden F-15 research aircraft. The highly integrated digital control (HIDEC) system provides additional engine thrust by increasing engine pressure ratio (EPR) at intermediate and afterburning power. The amount of EPR uptrim is modulated based on airplane maneuver requirements, flight conditions, and engine information. Engine thrust was increased as much as 10.5 percent at subsonic flight conditions by uptrimming EPR. The additional thrust significantly improved aircraft performance. Rate of climb was increased 14 percent at 40,000 ft and the time to climb from 10,000 to 40,000 ft was reduced 13 percent. A 14 and 24 percent increase in acceleration was obtained at intermediate and maximum power, respectively. The HIDEC logic performed fault free. No engine anomalies were encountered for EPR increases up to 12 percent and for angles of attack and sideslip of 32 and 11 degrees, respectively.
An integrated flight and propulsion control system has been developed and flight demonstrated on the NASA Ames-Dryden F-15 research aircraft. The highly integrated digital control (HIDEC) system provides additional engine thrust by increasing engine pressure ratio (EPR) at intermediate and afterburning power. The amount of EPR uptrim is modulated based on airplane maneuver requirements, flight conditions, and engine information. Engine thrust was increased as much as 10.5 percent at subsonic flight conditions by uptrimming EPR. The additional thrust significantly improved aircraft performance. Rate of climb was increased 14 percent at 40,000 ft and the time to climb from 10,000 to 40,000 ft was reduced 13 percent. A 14 and 24 percent increase in acceleration was obtained at intermediate and maximum power, respectively. The HIDEC logic performed fault free. No engine anomalies were encountered for EPR increases up to 12 percent and for angles of attack and sideslip of 32 and 11 deg, respectively.
This paper describes the authors' experience in adopting Model Based System Engineering (MBSE) at the NASA/Johnson Space Center (JSC). Since 2009, NASA/JSC has been applying MBSE using the Systems Modeling Language (SysML) to a number of advanced projects. Models integrate views of the system from multiple perspectives, capturing the system design information for multiple stakeholders. This method has allowed engineers to better control changes, improve traceability from requirements to design and manage the numerous interactions between components. As the project progresses, the models become the official source of information and used by multiple stakeholders. Three major types of challenges that hamper the adoption of the MBSE technology are described. These challenges are addressed by a multipronged approach that includes educating the main stakeholders, implementing an organizational infrastructure that supports the adoption effort, defining a set of modeling guidelines to help engineers in their modeling effort, providing a toolset that support the generation of valuable products, and providing a library of reusable models. JSC project case studies are presented to illustrate how the proposed approach has been successfully applied.
Given the maturity of the gas turbine engine since its invention and also considering the limited and flattened level of resources expected to be allocated for NASA aeronautics research and development, we ask the question are NASA technology investments still needed to enable future turbine engine-based propulsion systems? If so, what is NASA’s unique role to justify NASA’s investment? To address this topic, we will first review the accomplishments and the impact that NASA Glenn Research Center has made on turbine engine technologies over the last 78 years. Specifically, this paper discusses NASA’s role and contributions to turbine engine development, specific to both 1) NASA’s role in conducting experiments to understand flow physics and provide relevant benchmark validation experiments for Computational Fluid Dynamics (CFD) code development, validation, and assessment; and 2) the impact of technologies resulting from NASA collaborations with industry, academia, and other government agencies. Note that the scope of the discussion is limited to the NASA technology contributions with which the author was intimately associated, and does not represent the entirety of the NASA contributions to turbine engine technology. The specific research, development, and demonstrations discussed herein were selected to both 1) provide a comprehensive review and reference list of the technology and its impact, and 2) identify NASA’s unique role and highlight how NASA’s involvement resulted in additional benefit to the gas turbine engine community. Secondly, we will discuss current NASA collaborations that are in progress and provide a status of the results. Finally, we discuss the challenges anticipated for future turbine engine-based propulsion systems for civil aviation and identify potential opportunities for collaboration where NASA involvement would be beneficial. Ultimately, the gas turbine engine community will decide if NASA involvement is needed to contribute to the development of the design and analysis tools, databases, and technology demonstration programs to meet these challenges for future turbine engine-based propulsion systems.
In fiscal year (FY) 2024, the National Renewable Energy Laboratory (NREL) took a major leap forward with the completed full buildout of Kestrel, the Office of Energy Efficiency and Renewable Energy's newest high-performance computing (HPC) system. Kestrel is already supporting science across the portfolio, bringing roughly 44 petaflops of computing power, which is more than five times the capacity of our previous supercomputer, Eagle. By delivering greater GPU capacity, Kestrel enables faster progress in artificial intelligence (AI) and opens new avenues in energy research - from defining long-term planning scenarios to accommodate a growing power system to material discovery to improving energy efficiency in photovoltaics (PV). Across the portfolio, research is being accelerated by Kestrel's impressive power. During FY24, 427 projects and more than 700 researchers used NREL's HPC, supporting the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy across 13 funding areas. Through these collaborations, researchers produced more than 450 technical outputs, including 195 articles in peer-reviewed publications, pushing the boundaries of science and engineering. This year's report features new sections spotlighting the expanding roles of Artificial Intelligence and Accelerated Computing. We also introduce an early career section to celebrate the accomplishments of our up-and-coming researchers, whose pioneering work is shaping the future of energy. We hope you enjoy the new insights and discoveries highlighted in these pages.
Due to its unrivaled ability to predict the dynamical evolution of interacting atoms, molecular dynamics (MD) is a widely used computational method in theoretical chemistry, physics, biology, and engineering. Despite its success, MD is only capable of modeling time scales within several orders of magnitude of thermal vibrations, leaving out many important phenomena that occur at slower rates. The Temperature Accelerated Dynamics (TAD) method overcomes this limitation by thermally accelerating the state-to-state evolution captured by MD. Due to the algorithmically complex nature of the serial TAD procedure, implementations have yet to improve performance by parallelizing the concurrent exploration of multiple states. Here we utilize a discrete event-based application simulator to introduce and explore a new Speculatively Parallel TAD (SpecTAD) method. We investigate the SpecTAD algorithm, without a full-scale implementation, by constructing an application simulator proxy (SpecTADSim). Finally, following this method, we discover that a nontrivial relationship exists between the optimal SpecTAD parameter set and the number of CPU cores available at run-time. Furthermore, we find that a majority of the available SpecTAD boost can be achieved within an existing TAD application using relatively simple algorithm modifications.
The experimental methods to determine near-threshold fatigue crack growth rate data are prescribed in ASTM standard E647. To produce near-threshold data at a constant stress ratio (R), the applied stress-intensity factor (K) is decreased as the crack grows based on a specified K-gradient. Consequently, as the fatigue crack growth rate threshold is approached and the crack tip opening displacement decreases, remote crack wake contact may occur due to the plastically deformed crack wake surfaces and shield the growing crack tip resulting in a reduced crack tip driving force and non-representative crack growth rate data. If such data are used to life a component, the evaluation could yield highly non-conservative predictions. Although this anomalous behavior has been shown to be affected by K-gradient, starting K level, residual stresses, environmental assisted cracking, specimen geometry, and material type, the specifications within the standard to avoid this effect are limited to a maximum fatigue crack growth rate and a suggestion for the K-gradient value. This paper provides parallel experimental and computational simulations for the K-decreasing method for two materials (an aluminum alloy, AA 2024-T3 and a titanium alloy, Ti 6-2-2-2-2) to aid in establishing clear understanding of appropriate testing requirements. These simulations investigate the effect of K-gradient, the maximum value of stress-intensity factor applied, and material type. A material independent term is developed to guide in the selection of appropriate test conditions for most engineering alloys. With the use of such a term, near-threshold fatigue crack growth rate tests can be performed at accelerated rates, near-threshold data can be acquired in days instead of weeks without having to establish testing criteria through trial and error, and these data can be acquired for most engineering materials, even those that are produced in relatively small product forms.
The Revolutionary Turbine Accelerator (RTA)/Turbine Based Combined Cycle (TBCC) project is investigating turbine-based propulsion systems for access to space. NASA Glenn Research Center and GE Aircraft Engines (GEAE) planned to develop a ground demonstrator engine for validation testing. The demonstrator (RTA-1) is a variable cycle, turbofan ramjet designed to transition from an augmented turbofan to a ramjet that produces the thrust required to accelerate the vehicle from Sea Level Static (SLS) to Mach 4. The RTA-1 is designed to accommodate a large variation in bypass ratios from sea level static to Mach 4 conditions. Key components of this engine are new, such as a nickel alloy fan, advanced trapped vortex combustor, a Variable Area Bypass Injector (VABI), radial flameholders, and multiple fueling zones. A means to mitigate risks to the RTA development program was the use of extensive component rig tests and computational fluid dynamics (CFD) analysis.
The reciprocating feed system (RFS) is an alternative means of providing high pressure propellant flow at low cost and system mass, with high fail-operational reliability. The RFS functions by storing the liquid propellants in large, low-pressure tanks and then expelling each propellant through two or three small, high-pressure tanks. Each RFS tank is sequentially filled, pressurized, expelled, vented, and refilled so as to provide a constant, or variable, mass flow rate to the engine. This type of system is much lighter than a conventional pressure fed system in part due to the greatly reduced amount of inert tank weight. The delivered payload for an RFS is superior to that of conventional pressure fed systems for conditions of high total impulse and it is competitive with turbopump systems, up to approximately 2000 psi. An advanced version of the RFS uses autogenous pressurization and thrust augmentation to achieve higher performance. In this version, the pressurization gases are combusted in a small engine, thus making the pressurization system, in effect, part of the propulsion system. The RFS appears to be much less expensive than a turbopump system, due to reduced research and development cost and hardware cost, since it is basically composed of small high- pressure tanks, a pressurization system, and control valves. A major benefit is the high reliability fail-operational mode; in the event of a failure in one of the three tank-systems, it can operate on the two remaining tanks. Other benefits include variable pressure and flow rates, ease of engine restart in micro-gravity, and enhanced propellant acquisition and control under adverse acceleration conditions. We present a system mass analysis tool that accepts user inputs for various design and mission parameters and calculates such output values payload and vehicle weights for the conventional pressure fed system, the RFS, the Autogenous Pressurization Thrust Augmentation (APTA) RFS, and turbopump systems. Using this tool, a preliminary design of a representative crew exploration vehicle (CEV) has been considered. The design parameters selected for a representative system were modeled after the orbital maneuvering system (OMS) on the Shuttle Orbiter, with an increase of roughly a factor of ten in the delta- V capability and a greater thrust (30,000 lbs, vs. 12,000 lbs). Both storable and cryogenic propellants were considered. Results show that a RFS is a low mass alternative to conventional pressure fed systems, with a substantial increase in payload capability and that it is weight-competitive with turbopump systems at low engine pressure (a few hundred psi); at high engine pressures, the APTA RFS appears to offer the highest payload. We also present the status of the RFS test bed fabrication, assembly, and checkout. This test bed is designed to provide flow rates appropriate for engines in the roughly 10,000 to 30,000 lb thrust range.
The Thermal Energy Conversion Branch at NASA Glenn Research Center is supporting the development of high-efficiency power convertors for use in radioisotope power systems (RPS). Significant progress was made toward such a system that utilized Stirling conversion during the 2001 to 2015 timeframe. Flight development of the Advanced Stirling Radioisotope Generator (ASRG) was canceled in 2013 by the U.S. Department of Energy (DOE) and NASA Headquarters primarily due to budget constraints, and the Advanced Stirling Convertor (ASC) technology contract was subsequently concluded in 2015. A new chapter of technology development has recently been initiated by the NASA RPS Program. This effort is considering all dynamic power convertor options, such as Stirling and Brayton cycles. Four convertor development contracts supporting this effort were awarded in 2017. The awarded contracts include two free-piston Stirling, one thermoacoustic Stirling, and one turbo-Brayton design. The technology development contracts each consist of up to three phases: design, fabrication, and test. As of May 2018, all contracts have completed the design phase, and each underwent a design review with an independent review board. Three of the contracts are planned to execute the phase 2 option for fabrication. Convertors manifesting from these development efforts will then undergo independent validation and verification (IV and V) at NASA facilities, which will consist of convertor performance and RPS viability demonstrations. Example tests include launch vibration simulation, performance mapping over the environmental temperature range, and static acceleration exposure. In parallel with this renewed development effort, Glenn is still demonstrating free-piston Stirling convertor technology using assets from previous projects. The Stirling Research Laboratory (SRL) is still operating several convertors from previous development projects, which have similarities and relevance to current contract designs. Four of these are flexure-bearing based and another six are gas bearing based. One of the flexure-bearing convertors has accumulated over 110,000 h of operation and holds the current record for maintenance-free heat-engine run time. Another flexure-bearing convertor was recently manually shut down after 105,620 h of operation, then disassembled and inspected. This inspection produced a wealth of information about the effects of this amount of run time on the technology's components. One of the engineering unit flexure-bearing convertors recently underwent a launch simulation vibration test, a static acceleration exposure up to 20 g, and was then placed on extended operation. Among the gas-bearing convertors, the longest running unit has accumulated over 70,000 h of operation. Four high-fidelity gas-bearing convertors from the ASRG project are still operating continuously for which the longest run time has reached 28,000 h.
Time-resolved X-ray photoelectron spectroscopy (XPS) is used to track the photodissociation dynamics of 2-iodothiophene following 262 nm excitation. The transient XPS features include both direct ionization of the initially populated excited states and pronounced satellite peaks arising from shake-down processes. While the direct ionization signals exhibit only minimal energy shifts during C−I bond cleavage, the shake-down transitions undergo a substantial, 5 eV, shift over the reaction coordinate. By correlating these shifts with simulated C−I bond lengths, a direct structural mapping is established that reveals the exceptional sensitivity of shake-down channels to molecular geometry. These results demonstrate that shake-down transitions provide a new and powerful probe of ultrafast structural dynamics.
Advanced technical features of the electronic integrated propulsion control system (IPCS) and flight evaluation tests of IPCS (F-111E with TF30-P-9 engines as test vehicle) are described. Nine baseline flight tests and 15 IPCS flight tests were conducted. Instrumentation, data acquisition and data processing systems, software maintenance procedures, flight test procedures, flight safety criteria, flight test results, and ground and flight testing of the aircraft system are described. Advantages conferred by IPCS include: faster accelerations (both gas generator and afterburner performance), better thrust and flight control, reduced flight idle thrust, reduced engine ground trim, extended service ceiling, automatic stall detection, and stall recovery detection.
The photophysics of nucleobases has been the subject of both theoretical and experimental studies over the past decades due to the challenges posed by resolving the steps of their radiationless relaxation dynamics, which cannot be described in the framework of the Born–Oppenheimer approximation (BOA). In this context, the ultrafast dynamics of 2-thiouracil has been investigated with a time-resolved NEXAFS study at the Free Electron Laser FLASH. Near Edge X-ray Absorption Fine Structure spectroscopy (NEXAFS) can be used to observe electronic transitions in ultrafast molecular relaxation. We performed time-resolved UV-pump/X-ray probe absorption measurements at the sulfur 2s (L1) and 2p (L2/3) edges. We are able to identify absorption features corresponding to the S2 (ππ*) and S1 (nπ*) electronic states. We observe a delay of 102 ± 11 fs in the population of the nπ* state with respect to the initial optical excitation and interpret the delay as the time scale for the S2 → S1 internal conversion. We furthermore identify oscillations in the absorption signal that match a similar observation in our previous X-ray photoelectron spectroscopy study on the same molecule.
Purpose: To predict potential failures of hardware within the Varian TrueBeam linear accelerator in order to proactively replace parts and decrease machine downtime. Methods: Machine downtime is a problem for all radiation oncology departments and vendors. Most often it is the result of unexpected equipment failure, and increased due to lack of in-house clinical engineering support. Preventative maintenance attempts to assuage downtime, but often is ineffective at preemptively preventing many failure modes such as MLC motor failures, the need to tighten a gantry chain, or the replacement of a jaw motor, among other things. To attempt to alleviate downtime, software was developed in house that determines the maximum value of each axis enumerated in the Truebeam trajectory log files. After patient treatments, this data is stored in a SQL database. Microsoft Power BI is used to plot the average maximum error of each day of each machine as a function of time. The results are then correlated with actual faults that occurred at the machine with the help of Varian service engineers. Results: Over the course of six months, 76,312 trajectory logs have been written into the database and plotted in Power BI. Throughout the course of analysis MLC motors have been replaced on three machines due to the early warning of the trajectory log analysis. The service engineers have also been alerted to possible gantry issues on one occasion due to the aforementioned analysis. Conclusion: Analyzing the trajectory log data is a viable and effective early warning system for potential failures of the TrueBeam linear accelerator. With further analysis and tightening of the tolerance values used to determine a possible imminent failure, it should be possible to pinpoint future issues more thoroughly and for more axes of motion.
Plastic waste accumulation poses significant environmental challenges due to a lack of economical solutions for the molecular deconstruction of diverse synthetic polymers. Biological‐based degradation offers promise but is hindered by the crystallinity, hydrophobicity, and additive complexity of plastics, which restrict biocatalyst access and activity. To address these problems, we propose a multi‐scale framework that combines detailed materials characterization, optimization of plastic‐biomolecular interfacial interactions, and enhancement of biocatalytic kinetics to develop effective plastic‐deconstructing enzymes. This approach leverages principles from reaction kinetics, transport and interfacial phenomena, and enzyme engineering to systematically address barriers across diverse plastic types. Our framework aims to accelerate the discovery and optimization of biocatalysts capable of scalable, selective, and efficient deconstruction of plastic waste. These advances hold potential to enable sustainable biological recycling and upcycling pathways, contributing to global efforts in mitigating plastic pollution and promoting circular material economies.
To address challenges of high costs and scalability for fuel cells, it is essential to develop af-fordable and earth-abundant materials that are Pt-group-metal (PGM)-free. Recent advance-ments in PGM-free electrocatalysis for the oxygen reduction reaction (ORR) in alkaline media show that high catalyst loadings are needed to achieve high reaction rates; however, there are associated mass transport limitations. To address this issue, we develop low-loading ionomer-less Ag-bimetallic thin films by alloying with 3d block elements or Sn. We bridge knowledge from fundamental rotating disk electrode (RDE) studies to gas-diffusion cathodes in high-temperature anion-exchange membrane fuel cells (HT-AEMFCs), resulting in high-activity ORR catalysis and peak power densities up to 1.2 W cm-² geo for the Ag-Sn and Ag-Co alloys. Here, experimental post-characterization and theoretical calculations reveal small Co or Sn oxide nano-islands on Ag as likely active sites enhancing ORR activity, ultimately offering these low-loading PGM-free ORR materials as a viable path towards sustainable energy conversion.
At the National Renewable Energy Laboratory (NREL)—a U.S. Department of Energy laboratory—computational science, high-performance computing, applied mathematics, advanced computer science, visualization, and data play a pivotal role in advancing energy abundance, affordability, security, and reliability. From fundamental scientifc discovery to systems engineering and analysis, NREL researchers tackle market-relevant challenges to develop solutions for an independent energy system that is reliable, resilient and secure. Collaborative partnerships with industry, government, and academia ensure that our research remains cutting edge, impactful, applicable, and aligned with real-world energy needs. This special issue of Computing in Science & Engineering highlights exemplary NREL projects where computational tools and methodologies drive discovery and accelerate innovation in scalable and integrated energy systems. The featured articles explore the role of computational modeling, high-performance computing, generative AI, and adaptive computing in advancing independent energy solutions, optimizing sustainability research, and enhancing decision-making for energy solutions using a broad mix of energy technologies. Here, these contributions demonstrate how NREL’s computational research bridges the gap between theoretical advancements and practical implementation, emphasizing interdisciplinary collaboration and a commitment to innovation, with a focus on translating computational excellence into real-world impact, thus accelerate progress toward national energy goals. By showcasing cutting-edge research at the intersection of computational science and energy systems, this issue aims to inspire and inform researchers, practitioners, and policymakers dedicated to shaping a more reliable energy future.