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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 235 records · Page 13

The Mechanics of Atmospheric Systems Derived Through Vertical and Horizontal Analysis of Parametric Data

For 36 hours during April 1975, an atmospheric variability experiment was conducted. This research effort supported an observational program in which rawinsonde data, radar data, and satellite data were collected from a network of 42 stations east of the Rocky Mountains at intervals of 3 hours. This program presents data with a high degree of time resolution over a spatially and temporally extensive network. Reduction of the experiment data is intended primarily as a documentation of the checking and processing of the data and should be useful to prospective users. Various flow diagrams of the data processing procedures are described, and a complete summary of the formulas used in the data processing is provided. A wind computation scheme designed to extract as much detailed wind information as possible from the unique experiment data set is discussed. The accuracy of the thermodynamic and wind data were estimated. Errors in the thermodynamic and wind data are given.

Turner, R. E.↗

Concerted Electron-Ion Transport by Polyacrylonitrile Elucidated with Reactive Deep Learning Potentials

Charge transport in polymers, such as polyacrylonitrile (PAN), is crucial for electronics and energy storage. For instance, PAN can transport cations e.g., Li + , by facilitating dynamic cation-nitrile coordination in batteries. However, little is known regarding the underlying role of complex reactive polymer configurations. Herein, we develop a deep-learning potential, trained on ab initio energies and forces of nonequilibrium reactive PAN configurations, to unravel the kinetics of PAN cyclization initiated by a nucleophile (OH – dissociated from LiOH) attacking the terminal nitrile carbon. We find, based on the reaction free-energetics, rates, and charge analysis, that the nucleophile attack producing the first ring is the rate-limiting step, which subsequently triggers Li + -coupled electron transfer along the PAN backbone, causing ∼10 4 times faster sequential ring-formation of the remaining nitriles. PAN’s extended configurations, where dipolar and H-bonding interactions are minimal, enable such rapid kinetics. By validating our computational findings with IR and NMR experiments, we establish a pathway for designing reactive polymers with enhanced charge transport for energy applications.

Chahal-Crockett, Rajni [Oak Ridge National Laborat↗

Improving noisy free-energy measurements by adding more noise

Estimating free-energy differences using nonequilibrium work relations, such as the Jarzynski equality, is hindered by poor convergence when work fluctuations are large. For systems governed by overdamped Langevin dynamics, we propose the counterintuitive approach of adding noise in order to increase the precision of such calculations. Here, by introducing additional stochastic fluctuations to the system and rescaling its potential energy accordingly, we leave the thermodynamics of the system unchanged while increasing its relaxation rate. For a given time-dependent protocol this modification reduces the dissipated reduced work, leading to more accurate free-energy estimates. The method is designed to be used in experiment, and we illustrate its operation using computer simulations applied to two model systems. However, the regime of applicability of this strategy is likely limited, because it requires control of the system's potential energy in a way that is feasible in only a few experimental settings.

Whitelam, Stephen [Lawrence Berkeley National Labo↗

Development of a parameter optimization technique for the design of automatic control systems

Parameter optimization techniques for the design of linear automatic control systems that are applicable to both continuous and digital systems are described. The model performance index is used as the optimization criterion because of the physical insight that can be attached to it. The design emphasis is to start with the simplest system configuration that experience indicates would be practical. Design parameters are specified, and a digital computer program is used to select that set of parameter values which minimizes the performance index. The resulting design is examined, and complexity, through the use of more complex information processing or more feedback paths, is added only if performance fails to meet operational specifications. System performance specifications are assumed to be such that the desired step function time response of the system can be inferred.

Whitaker, P. H.↗

Transitional flight characteristics of a geometrically simplified STOVL model

The transitional flight characteristics of a geometrically simplified Short Take-Off Vertical Landing (STOVL) aircraft configuration were measured in the NASA Ames 7- by 10-Foot Wind Tunnel. The experiment was designed to provide detailed data for evaluating the capability of computational fluid dynamics methods to predict the important powered lift flow parameters. The model consists of a 60 deg cropped delta wing planform; a blended fuselage; and tandem, circular, high pressure air jets that exit perpendicular to the flat lower surface. Freestream Mach number is limited to a maximum 0.2. Model angle of attack ranges from -10 deg to +20 deg. The nozzle pressure ratios of both jets are varied between 1 and 3, and the jet exit temperatures are maintained at near ambient conditions. Detailed surface pressure measurements show that suction pressure peaks located on the upper surface of the wing during conventional wingborne flight for angles of attack greater than 5 deg move to the wing lower surface at angles of attack less than 0 deg. A reduction in these suction pressure peaks is observed when the lift jets are operating. With sonic jet exit conditions, a freestream Mach number of 0.14, and 0 deg angle of attack, the jet-induced suckdown is equivalent to a 3.7 deg reduction in angle of attack. Schlieren, laser light sheet flow visualization and total pressure measurements in the jet plumes provide a description of the three-dimensional jet efflux flowfield.

Roth, Karlin R.↗

Accelerating detector simulations with Celeritas: profiling and performance optimizations

Celeritas is a GPU-optimized MC particle transport code designed to meet the growing computational demands of next-generation HEP experiments. It provides efficient simulation of EM physics processes in complex geometries with magnetic fields, detector hit scoring, and seamless integration into Geant4-driven applications to offload EM physics to GPUs. Recent efforts have focused on performance optimizations and expanding profiling capabilities. This paper presents some key advancements, including the integration of the Perfetto system profiling tool for detailed performance analysis and the development of track-sorting methods to improve computational efficiency.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Statistical Engineering in Air Traffic Management Research

NASA is working to develop an integrated set of advanced technologies to enable efficient arrival operations in high-density terminal airspace for the Next Generation Air Transportation System. This integrated arrival solution is being validated and verified in laboratories and transitioned to a field prototype for an operational demonstration at a major U.S. airport. Within NASA, this is a collaborative effort between Ames and Langley Research Centers involving a multi-year iterative experimentation process. Designing and analyzing a series of sequential batch computer simulations and human-in-the-loop experiments across multiple facilities and simulation environments involves a number of statistical challenges. Experiments conducted in separate laboratories typically have different limitations and constraints, and can take different approaches with respect to the fundamental principles of statistical design of experiments. This often makes it difficult to compare results from multiple experiments and incorporate findings into the next experiment in the series. A statistical engineering approach is being employed within this project to support risk-informed decision making and maximize the knowledge gained within the available resources. This presentation describes a statistical engineering case study from NASA, highlights statistical challenges, and discusses areas where existing statistical methodology is adapted and extended.

Wilson, Sara R.↗

Aircraft integrated design and analysis: A classroom experience

AAE 451 is the capstone course required of all senior undergraduates in the School of Aeronautics and Astronautics at Purdue University. During the past year the first steps of a long evolutionary process were taken to change the content and expectations of this course. These changes are the result of the availability of advanced computational capabilities and sophisticated electronic media availability at Purdue. This presentation will describe both the long range objectives and this year's experience using the High Speed Commercial Transport (HSCT) design, the AIAA Long Duration Aircraft design and a Remotely Piloted Vehicle (RPV) design proposal as project objectives. The central goal of these efforts was to provide a user-friendly, computer-software-based, environment to supplement traditional design course methodology. The Purdue University Computer Center (PUCC), the Engineering Computer Network (ECN), and stand-alone PC's were used for this development. This year's accomplishments centered primarily on aerodynamics software obtained from the NASA Langley Research Center and its integration into the classroom. Word processor capability for oral and written work and computer graphics were also blended into the course. A total of 10 HSCT designs were generated, ranging from twin-fuselage and forward-swept wing aircraft, to the more traditional delta and double-delta wing aircraft. Four Long Duration Aircraft designs were submitted, together with one RPV design tailored for photographic surveillance. Supporting these activities were three video satellite lectures beamed from NASA/Langley to Purdue. These lectures covered diverse areas such as an overview of HSCT design, supersonic-aircraft stability and control, and optimization of aircraft performance. Plans for next year's effort will be reviewed, including dedicated computer workstation utilization, remote satellite lectures, and university/industrial cooperative efforts.

Source record↗

Design and development experience with a digital fly-by-wire control system in an F-8C airplane

To assess the feasibility of a digital fly-by-wire system, the mechanical flight control system of an F-8C airplane was replaced with a digital system and an analog backup system. The Apollo computer was used as the heart of the primary system. This paper discusses the experience gained during the design and development of the system and relates it to active control systems that are anticipated for future civil transport applications.

Deets, D. A.↗

Design and development experience with a digital fly-by-wire control system in an F-8C airplane

To assess the feasibility of a digital fly by wire system, the mechanical flight control system of an F-8C airplane was replaced with a digital primary system and an analog backup system. The Apollo computer was used as the heart of the primary system. This paper discusses the experience gained during the design and development of the system and relates it to active control systems that are anticipated for future civil transport applications.

Deets, D. A.↗

Initial User Study Insights Clarified Community Requirements & Early Feedback on Conceptual Design

The HPDF User Experience (UX) team conducted eight semi-structured interviews with twelve individuals leading data and computing infrastructure work at DOE Office of Science (SC) user facilities or projects. This report presents key takeaways synthesizing community perspectives and needs, along with recommendations for the project. These insights should be considered as conceptual design work continues, early partnerships begin, workflow readiness activities evaluate and enhance key scientific tools, and early access systems are made available to the Office of Science (SC) community. Vigilance in meeting community requirements and ensuring workflow readiness will be needed to ensure HPDF’s success.

97 MATHEMATICS AND COMPUTING↗

Computationally efficient algorithms for real-time attitude estimation

For many practical spacecraft applications, algorithms for determining spacecraft attitude must combine inputs from diverse sensors and provide redundancy in the event of sensor failure. A Kalman filter is suitable for this task, however, it may impose a computational burden which may be avoided by sub optimal methods. A suboptimal estimator is presented which was implemented successfully on the Delta Star spacecraft which performed a 9 month SDI flight experiment in 1989. This design sought to minimize algorithm complexity to accommodate the limitations of an 8K guidance computer. The algorithm used is interpreted in the framework of Kalman filtering and a derivation is given for the computation.

Pringle, Steven R.↗

Molecular-level design of alternative media for energy-saving pilot-scale fibrillation of nanocellulose

The outstanding mechanical properties, light weight, and biodegradability of cellulose nanofibrils (CNFs) make them promising components of renewable and sustainable next-generation reinforced composite biomaterials and bioplastics. Manufacturing CNFs at a pilot scale requires disc-refining fibrillation of dilute cellulose fibers in aqueous pulp suspensions to shear the fibers apart into their nanodimensional forms, which is, however, an energy-intensive process. Here, in this study, we used atomistic molecular dynamics (MD) simulation to examine media that might facilitate the reduction of interactions between cellulose fibers, thereby reducing energy consumption in fibrillation. The most suitable medium found by the simulations was an aqueous solution with 0.007:0.012 wt.% NaOH:urea, and indeed this was found in pilot-scale experiments to reduce the fibrillation energy by ~21% on average relative to water alone. The NaOH:urea-mediated CNFs have similar crystallinity, morphology, and mechanical strength to those formed in water. The NaOH and urea act synergistically on CNFs to aid fibrillation but at different length scales. NaOH deprotonates hydroxyl groups leading to mesoscale electrostatic repulsion between fibrils, whereas urea forms hydrogen bonds with protonated hydroxyl groups thus disrupting interfibril hydrogen bonds. This suggests a general mechanism in which an aqueous medium that contains a strong base and a small organic molecule acting as a hydrogen-bond acceptor and/or donor may be effectively employed in materials processes where dispersion of deprotonable polymers is required. The study demonstrates how atomic-detail computer simulation can be integrated with pilot-scale experiments in the rational design of materials processes for the circular bioeconomy.

36 MATERIALS SCIENCE↗

An Expert System-Driven Method for Parametric Trajectory Optimization During Conceptual Design

During the early phases of engineering design, the costs committed are high, costs incurred are low, and the design freedom is high. It is well documented that decisions made in these early design phases drive the entire design's life cycle cost. In a traditional paradigm, key design decisions are made when little is known about the design. As the design matures, design changes become more difficult in both cost and schedule to enact. The current capability-based paradigm, which has emerged because of the constrained economic environment, calls for the infusion of knowledge usually acquired during later design phases into earlier design phases, i.e. bringing knowledge acquired during preliminary and detailed design into pre-conceptual and conceptual design. An area of critical importance to launch vehicle design is the optimization of its ascent trajectory, as the optimal trajectory will be able to take full advantage of the launch vehicle's capability to deliver a maximum amount of payload into orbit. Hence, the optimal ascent trajectory plays an important role in the vehicle's affordability posture yet little of the information required to successfully optimize a trajectory is known early in the design phase. Thus, the current paradigm of optimizing ascent trajectories involves generating point solutions for every change in a vehicle's design parameters. This is often a very tedious, manual, and time-consuming task for the analysts. Moreover, the trajectory design space is highly non-linear and multi-modal due to the interaction of various constraints. When these obstacles are coupled with the Program to Optimize Simulated Trajectories (POST), an industry standard program to optimize ascent trajectories that is difficult to use, expert trajectory analysts are required to effectively optimize a vehicle's ascent trajectory. Over the course of this paper, the authors discuss a methodology developed at NASA Marshall's Advanced Concepts Office to address these issues. The methodology is two-fold: first, capture the heuristics developed by human analysts over their many years of experience; and secondly, leverage the power of modern computing to evaluate multiple trajectories simultaneously and therefore enable the exploration of the trajectory's design space early during the pre- conceptual and conceptual phases of design. This methodology is coupled with design of experiments in order to train surrogate models, which enables trajectory design space visualization and parametric optimal ascent trajectory information to be available when early design decisions are being made.

Dees, Patrick D.↗

Inlets, ducts, and nozzles

The internal fluid mechanics research program in inlets, ducts, and nozzles consists of a balanced effort between the development of computational tools (both parabolized Navier-Stokes and full Navier-Stokes) and the conduct of experimental research. The experiments are designed to better understand the fluid flow physics, to develop new or improved flow models, and to provide benchmark quality data sets for validation of the computational methods. The inlet, duct, and nozzle research program is described according to three major classifications of flow phenomena: (1) highly 3-D flow fields; (2) shock-boundary-layer interactions; and (3) shear layer control. Specific examples of current and future elements of the research program are described for each of these phenomenon. In particular, the highly 3-D flow field phenomenon is highlighted by describing the computational and experimental research program in transition ducts having a round-to-rectangular area variation. In the case of shock-boundary-layer interactions, the specific details of research for normal shock-boundary-layer interactions are described. For shear layer control, research in vortex generators and the use of aerodynamic excitation for enhancement of the jet mixing process are described.

Abbott, John M.↗

Margin to onset of nucleate boiling and flow instability studies for preliminary MITR design-demonstration element thermal-hydraulics

This study covers the onset of flow instability (OFI) preliminary results obtained from leveraging correlations, in addition to the preliminary thermal hydraulics results such as pressure, flow velocity, temperature, and oxide layer over the design demonstration experiment (DDE) for the Massachusetts Institute of Technology Reactor (MITR). Current computational fluid dynamics (CFD) models in fluid structure interaction (FSI) have added the capability of assessing margins to onset of nucleate boiling (ONB). This study initiates the capability to model the margin to OFI and ONB presented for the MITR. Such study is supportive of the United States High Performance Research Reactor (USHPRR) program. Previous studies provided preliminary thermal-hydraulic and mechanical analyses of the hydrodynamic effects in the MITR DDE under conservative approximations for plate power distribution. In conclusion, this study focuses on providing insights into the OFI future research direction optimizing the transport of thermal energy, mass-flow rates, flow-channel geometries, and boundary conditions.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

In the Mix : A Workshop Merging Computational Chemistry and Electrochemistry Alongside Data Science

As chemistry expands to more complex and interdisciplinary areas, a new generation of diverse researchers must engage with science and learn effective cross-disciplinary collaboration and communication. To these ends, we designed and implemented In the Mix, a graduate student-led, two-day workshop for undergraduate students promoting collaborative science in the context of energy storage innovations. Here, the interactive workshop was designed for future and emerging researchers to gain hands-on experience with data science, computational chemistry, and electrochemistry techniques that are critical for developing materials for battery technologies. Participants also visited commercial renewable energy facilities to help them connect discovery-based research with industry and broader societal considerations. The workshop content and structure ensured that participants experienced the interrelatedness of the fields and understood the importance of collaborative research to yield scientific advances with real-world applications. An external team evaluated the workshop and participants’ perceptions of their experiences. While our research context was energy storage, the workshop goals and outcomes are applicable to other contexts. Interdisciplinary, experiential workshops are a key avenue to broadening participation in science and research, and the ideas presented here can be readily modified for other scientific contexts and/or incorporated as broader impact activities.

25 ENERGY STORAGE↗

Feedforward equilibrium trajectory optimization with GSPulse

One of the common tasks required for designing new plasma scenarios or evaluating capabilities of a tokamak is to design the desired equilibria using a Grad-Shafranov (GS) equilibrium solver. However, most standard equilibrium solvers are time-independent and do not include dynamic effects such as plasma current flux consumption, induced vessel currents, or voltage constraints. Another class of tools, plasma equilibrium evolution simulators, do include time-dependent effects. These are generally structured to solve the forward problem of evolving the plasma equilibrium given feedback-controlled voltages. In this work, we introduce GSPulse, a novel algorithm for equilibrium trajectory optimization, that is more akin to a pulse planner than a pulse simulator. GSPulse includes time-dependent effects and solves the inverse problem: given a user-specified set of target equilibrium shapes, as well as limits on the coil currents and voltages, the optimizer returns trajectories of the voltages, currents, and achievable equilibria. This task is useful for scoping performance of a tokamak and exploring the space of achievable pulses. The computed equilibria satisfy both Grad-Shafranov force balance and axisymmetric circuit dynamics. The optimization is performed by restructuring the free-boundary equilibrium evolution equations into a form where it is computationally efficient to optimize the entire dynamic sequence. GSPulse can solve for hundreds of equilibria simultaneously within a few minutes. GSPulse has been validated against NSTX-U and MAST-U experiments and against SPARC feedback control simulations, and is being used to perform scenario design for SPARC. The computed trajectories can be used as feedforward inputs that are connected to the feedback controller to inform and improve feedback performance. The code for GSPulse is available open-source at github.com/jwai-cfs/GSPulse_public.

equilibrium↗