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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 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A Perspective on Quantum Computing Applications in Quantum Chemistry Using 25-100 Logical Qubits

The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owing to the exponential growth of classical resource requirements for simulating quantum systems, quantum chemistry has long been recognized as a natural candidate for quantum computation. This perspective focuses on identifying scientifically meaningful use cases where early fault-tolerant quantum computers, which are considered to be equipped with approximately 25-100 logical qubits, could deliver tangible impact. While recent advances in classical computing have pushed the boundaries of tractable simulations to unprecedented scales, this logical-qubit regime represents the first window where quantum devices can pursue qualitatively distinct strategies, such as polynomial-scaling phase estimation, direct simulation of quantum dynamics, and active-space embedding, that remain challenging for classical solvers, such as multireference charge-transfer and conical-intersection states central to photochemistry and materials design. We highlight near-term opportunities in algorithm and software design, discuss representative chemical problems suited for quantum acceleration, and propose strategic roadmaps and collaborative pathways for advancing practical quantum utility in quantum chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1984

Design of a digital ride quality augmentation system for a commuter aircraft

Commuter aircraft with low wing loading that operate at low altitudes are particularly susceptible to unwanted accelerations caused by atmospheric gusts. This paper describes the design and analysis of a longitudinal digital Ride Quality Augmentation System (RQAS). The RQAS designs were conducted for a Cessna 402B aircraft using the flaps and the elevator as the control surfaces. The designs are generated using linear quadratic Gaussian theory and analyzed in both the time and frequency domains. Nominal designs are presented at five flight conditions that cover a total mission. Trade-off studies are conducted to investigate the effect of sample time, computational delay time, servo bandwidth and control power.

Hammond, T. A.↗
NASA NTRS1993

Cancellation control law for lateral-directional dynamics of a supermaneuverable aircraft

Cancellation control laws are designed which reduce the high levels of lateral acceleration encountered during aggressive rolling maneuvers executed at high angle of attack. Two independent problem are examined. One is to reduce lateral acceleration at the mass center, while the other focuses on lateral acceleration at the pilot's station, located 7.0 m forward of the mass center. Both of these problems are challenging and somewhat different in their limitations. In each case the design is based on a linearization of the lateral-directional dynamics about a high angle of attack condition. The controllers incorporate dynamic inversion inner loops to provide control of stability-axis roll- and yaw-rates and then employ cancellation filters in both feed-forward and feed-back signal paths. The relative simplicity of the control laws should allow nonlinear generalizations to be devised. Although it is shown that lateral acceleration can be reduced substantially by such control laws, this is at the cost of slowed roll response, poor dutch-roll damping or a combination of the two.

Snell, Antony↗
NASA NTRS1982

Interconnect fatigue design for terrestrial photovoltaic modules

The results of comprehensive investigation of interconnect fatigue that has led to the definition of useful reliability-design and life-prediction algorithms are presented. Experimental data indicate that the classical strain-cycle (fatigue) curve for the interconnect material is a good model of mean interconnect fatigue performance, but it fails to account for the broad statistical scatter, which is critical to reliability prediction. To fill this shortcoming the classical fatigue curve is combined with experimental cumulative interconnect failure rate data to yield statistical fatigue curves (having failure probability as a parameter) which enable (1) the prediction of cumulative interconnect failures during the design life of an array field, and (2) the unambiguous--ie., quantitative--interpretation of data from field-service qualification (accelerated thermal cycling) tests. Optimal interconnect cost-reliability design algorithms are derived based on minimizing the cost of energy over the design life of the array field.

Mon, G. R.↗
NASA NTRS1998

A Review of Microgravity Levels on Ten OARE Shuttle Missions

The Orbital Acceleration Research Experiment (OARE) is an accelerometer package with nano-g sensitivity and on-orbit bias calibration capabilities. The OARE consists of a three axis miniature electrostatic accelerometer (MESA), a full in-flight bias and scale factor calibration station, and an on-board microprocessor for experiment control and data storage. Originally designed to measure and record the aerodynamic acceleration environment of the NASA Space Shuttles during re-entry, the OARE has been used on ten shuttle missions to measure the quasi-steady acceleration environment (<1 Hz) of the Orbiter while in low-Earth orbit. The effects on the quasi-steady acceleration environment from Orbiter systems, Orbiter attitude, Orbiter altitude, and crew activity are well understood as a result of these ten shuttle missions. This knowledge of the quasi-steady acceleration realm has direct application to understanding the quasi-steady acceleration environment expected for the International Space Station (ISS). This paper will summarize the more salient aspects of this quasi-steady acceleration knowledge base.

McPherson, Kevin M.↗
NASA NTRS1992

An installed nacelle design code using a multiblock Euler solver. Volume 1: Theory document

An efficient multiblock Euler design code was developed for designing a nacelle installed on geometrically complex airplane configurations. This approach employed a design driver based on a direct iterative surface curvature method developed at LaRC. A general multiblock Euler flow solver was used for computing flow around complex geometries. The flow solver used a finite-volume formulation with explicit time-stepping to solve the Euler Equations. It used a multiblock version of the multigrid method to accelerate the convergence of the calculations. The design driver successively updated the surface geometry to reduce the difference between the computed and target pressure distributions. In the flow solver, the change in surface geometry was simulated by applying surface transpiration boundary conditions to avoid repeated grid generation during design iterations. Smoothness of the designed surface was ensured by alternate application of streamwise and circumferential smoothings. The capability and efficiency of the code was demonstrated through the design of both an isolated nacelle and an installed nacelle at various flow conditions. Information on the execution of the computer program is provided in volume 2.

Chen, H. C.↗
DOE OSTI2021

Seeded Stage III glass dissolution behavior of a statistically designed glass matrix

The glass dissolution rate of some glasses accelerates after prolonged time spent at a slow, residual glass dissolution rate. This phenomenon is referred to as Stage III behavior. Here, the acceleration in glass dissolution rate linked to Stage III behavior is significant and may be the most impactful to long-term performance of glass in a repository. This work is aimed at understanding the effect of glass composition on Stage III behavior to add a level of technical defensibility to glass disposal. To this end, a set of twenty-four glass compositions were statistically designed, where eight glass components (SiO 2 , B 2 O 3 , Al 2 O 3 , CaO, Na 2 O, SnO 2 , ZrO 2 , and Others) have been independently varied in order to study the individual effects of each. These glasses have been subjected to static dissolution tests at 90 °C in deionized water and then seeded with zeolite Na-P2 28 days into the testing to induce Stage III behavior. The response of the glasses to the zeolite seeds fell into four primary types: 1) no response to seeds; 2) an immediate linear sustained acceleration in the rate; 3) an immediate linear acceleration in the rate followed by a decrease; and, 4) a progressive acceleration in the rate that is concurrent with the addition of the seeds. The main glass components observed to influence these behaviors were CaO, Al 2 O 3 , B 2 O 3 , and ZrO 2 , where: 1) CaO influenced which glasses showed a Stage III response to seeds (high CaO: Types 2, 3, and 4) or did not respond to seeds (low CaO: Type 1), 2) Al 2 O 3 and B 2 O 3 influenced which glasses showed a sustainable Stage III response (high Al 2 O 3 : Types 2 and 4) versus transitory response (low Al 2 O 3 and high B 2 O 3 : Type 3), and 3) ZrO 2 concentration influenced whether glasses showed a linear (high ZrO 2 : Type 2) versus progressive (low ZrO 2 : Type 4) response to seeds.

36 MATERIALS SCIENCE↗
NASA NTRS1993

An installed nacelle design method using multiblock Euler solver

An efficient multiblock Euler design method was developed for designing a nacelle installed on geometrically complex airplane configurations. This approach employed a design module based on a direct iterative surface curvature method developed at NASA-Langley. A multiblock Euler flow solver was used for computing flow around complex geometries. The flow solver used a finite-volume formulation with explicit time-stepping to solve the Euler equations. It used a multiblock version of the multigrid method to accelerate the convergence of the calculations. The design module successively updated the surface geometry to reduce the difference between the computed and target pressure distributions. In the flow solver, the change in surface geometry was simulated by applying surface transpiration boundary conditions to avoid repeated grid generation during design iterations. Smoothness of the designed surface was ensured by alternate application of streamwise and circumferential smoothings.

Chen, H. C.↗
DOE OSTI2023

Trends in Field and Laboratory Performance of Photovoltaic Modules and Materials

This DuraMAT project intends to identify bill of materials (BOM) and/or process control measures for photovoltaic modules with representative failure modes as informed by accelerated and field tests to guide next steps in module and material design. We have begun work to identify correlation between module field performance and accelerated testing results by cross-comparing a module database of accelerated test results with a module database of fielded systems. We have identified fielded systems with degraded performance, and intend to compare this to the results observed in certification and qualification testing. We also intend to apply lessons and observations from accelerated tests to the field, where it may be possible to mitigate or avoid degradation in the field.

DuraMAT↗
DOE OSTI2019

Evaluation of Skyshine from an Accelerator Facility: Dependence on Distance and Angle

Neutron skyshine from Linac Coherent Light Source II 4 GeV electron beam operation at SLAC National Accelerator Laboratory can contribute to prompt radiation exposure to the public at distances far beyond the accelerator tunnel housing. One of the shielding design requirements at SLAC is that the annual dose to a member of the public is no more than 0.05 mSv y -1 . Our work uses Monte Carlo code FLUKA to simulate the generation of neutrons from 4 GeVelectron beam losses on a thick copper target inside a generalized geometry of the Linac Coherent Light Source II Beam Transport Hall accelerator tunnel section. The effective dose from neutron skyshine was characterized as a function of both distance from the tunnel wall (up to 1 km away) and angle relative to the beam direction (between 0° and 180°). Furthermore, this new methodology for evaluating neutron skyshine dose is applicable to high-energy GeV-range electron accelerator facilities both at SLAC and elsewhere.

43 PARTICLE ACCELERATORS↗
NASA NTRS1999

Aerospace Engineering Systems and the Advanced Design Technologies Testbed Experience

Continuous improvement of aerospace product development processes is a driving requirement across much of the aerospace community. As up to 90% of the cost of an aerospace product is committed during the first 10% of the development cycle, there is a strong emphasis on capturing, creating, and communicating better information (both requirements and performance) early in the product development process. The community has responded by pursuing the development of computer-based systems designed to enhance the decision-making capabilities of product development individuals and teams. Recently, the historical foci on sharing the geometrical representation and on configuration management are being augmented: 1) Physics-based analysis tools for filling the design space database; 2) Distributed computational resources to reduce response time and cost; 3) Web-based technologies to relieve machine-dependence; and 4) Artificial intelligence technologies to accelerate processes and reduce process variability. The Advanced Design Technologies Testbed (ADTT) activity at NASA Ames Research Center was initiated to study the strengths and weaknesses of the technologies supporting each of these trends, as well as the overall impact of the combination of these trends on a product development event. Lessons learned and recommendations for future activities are reported.

VanDalsem, William R.↗
DOE OSTI2024

A Broadband Mechanically Tuned Superconducting Cavity Design Suitable for the Fermilab Main Injector

Radio Frequency superconductivity has been a mainstay of accelerator science for decades. However, its benefits have yet to be applied to proton synchrotrons with demanding tuning requirements. For example, the Main Injector (MI), Fermilab's high-energy proton synchrotron, currently utilizes 20+ ferrite-loaded cavities for a targeted 1.2 s acceleration cycle. Harnessing the extremely high gradients associated with superconductivity, the required number of cavities could be reduced by an order of magnitude, dramatically lowering operational power requirements even with cryogenic considerations. Additionally, the current plans for the Fermilab accelerator complex evolution initiative involve almost doubling the number of cavities in MI if the same designs are to be used, further highlighting the potential benefits of superconductivity. These advantages are attractive, but to date, no tunable superconducting cavity suitable for MI has been proposed due to the incompatibility of conventional broadband tuning methods with superconductivity. Here, we present a tunable superconducting cavity concept capable of record-breaking performance. Tuning will be accomplished by using high-speed linear actuators to vary the insertion depth of metallic plungers into the cavity volume. This tuning concept is theoretically viable with currently available technology and will be fully compatible with a superconducting cavity.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Twinac: A Universal Framework for Virtual Accelerator Controls

We propose a universal framework for a system of virtual accelerator controls (Twinac), a standard toolkit for research institutions to design, maintain, and use a real-time, end-to-end "digital twin" of their particle accelerator facility. This virtual counterpart will mirror any physical accelerator to provide (1) predictive maintenance; (2) surveillance of hidden environmental factors, such as seasonal temperature variations, which could impact performance of power supplies, magnets, and other instruments; and (3) a capability to model novel ways to operate the accelerator without risking equipment damage. Twinac is envisioned as accelerator facility agnostic, allowing institutions to share and reuse myriad simulation approaches (analytics-based, A.I.-driven, or combinations of the like) across facilities. The Twinac system lays the groundwork for a collaborative network of institutions to maintain and update this shared virtual accelerator technology.

Miceli, Tia M. [Fermilab] (ORCID:0000000265577789)↗
DOE OSTI2024

Accelerated Steam Methane Reforming by Dynamically Applied Charges

Catalyst design has traditionally focused on tuning active site properties to optimally bind reaction intermediates and balance the kinetic requirements of multiple competing chemical processes, as necessitated by the Sabatier principle. It has recently been proposed that for reactions following certain potential energy landscapes, the activity limit imposed by the Sabatier principle may be overcome by using programmed oscillations of surface electron density at the timescales of surface reactions (i.e., “catalytic resonance”). Here, we use a combination of density functional theory (DFT) simulations and transient kinetic models (TKMs) to simulate the kinetics of steam methane reforming (SMR) on Ru(211) surfaces under statically and dynamically applied charges. DFT-calculated binding energies of SMR intermediates and transition states exhibit strong sensitivity to positively applied charges and follow unique scaling relationships that deviate from linear periodic trends across transition metals. Our simulations demonstrate that applying a small positive charge to Ru dramatically enhances the steady-state turnover frequency (TOF) of SMR by up to 5 orders of magnitude above the TOF observed over neutral Ru. Thus, statically charging Ru catalysts may be an effective strategy to lower the temperature requirements for SMR. Dynamic square-wave oscillations in charge resulted in SMR catalytic resonance with an onset frequency f ∼ 106 Hz and the corresponding average TOFs exceeding the statically charged Ru surface by an additional 15%. Here, based on sensitivity analyses performed for the two end points of oscillation, we propose that dynamic TOF improvement beyond the Sabatier maximum can be expected when the system oscillates between two kinetic regimes that are uniquely controlled by distinct elementary steps.

Catalysts↗
DOE OSTI2024

Targeted materials discovery using Bayesian algorithm execution

Rapid discovery and synthesis of future materials requires intelligent data acquisition strategies to navigate large design spaces. A popular strategy is Bayesian optimization, which aims to find candidates that maximize material properties; however, materials design often requires finding specific subsets of the design space which meet more complex or specialized goals. We present a framework that captures experimental goals through straightforward user-defined filtering algorithms. These algorithms are automatically translated into one of three intelligent, parameter-free, sequential data collection strategies (SwitchBAX, InfoBAX, and MeanBAX), bypassing the time-consuming and difficult process of task-specific acquisition function design. Our framework is tailored for typical discrete search spaces involving multiple measured physical properties and short time-horizon decision making. We demonstrate this approach on datasets for TiO 2 nanoparticle synthesis and magnetic materials characterization, and show that our methods are significantly more efficient than state-of-the-art approaches. Overall, our framework provides a practical solution for navigating the complexities of materials design, and helps lay groundwork for the accelerated development of advanced materials.

42 ENGINEERING↗
DOE OSTI2022

RLAs WITH FFA ARCS FOR PROTONS AND ELECTRONS

Recirculating Linear Accelerators (RLAs) provide an efficient way of producing high-power, high-quality, continuous-wave hadron and lepton beams. However, their attractiveness had been limited by the cumbersomeness of multiple recirculating arcs and by the complexity of the spreader and recombiner regions. The latter problem sets one of the practical limitations on the maximum number of recirculations. We present an RLA design concept where the problem of multiple arcs is solved using the Fixed-Field Alternating gradient (FFA) design as in CBETA. The spreader/recombiner design is greatly simplified using an adiabatic matching approach. It allows for the spreader/recombiner function to be accomplished by a single beam line. The concept is applied to the designs of a high-power hadron accelerator being considered at ORNL and a CEBAF electron energy doubling project, FFA@CEBAF, being developed at Jefferson lab.

Morozov, V. S.↗
DOE OSTI2023

Zero-RK Acceleration of Low-Lifecycle-Carbon Fuel (LLCF) Simulations

Designing modern combustion systems now relies on computer models that predict how changes in design will affect performance. These models have replaced older methods that relied on the designer's intuition or costly and time-consuming physical testing. By using improved models, design cycles can be shortened, and cleaner and more efficient combustion devices can be created. This project aims to improve computer simulations of low-lifecycle-carbon fuels (LLCFs) with the goal of making these simulations faster and more accurate for predicting combustion in vehicles.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1986

Analytical determination of space station response to crew motion and design of suspension system for microgravity experiments

The objective of this investigation is to make analytical determination of the acceleration produced by crew motion in an orbiting space station and define design parameters for the suspension system of microgravity experiments. A simple structural model for simulation of the IOC space station is proposed. Mathematical formulation of this model provides the engineers a simple and direct tool for designing an effective suspension system.

Liu, F. C.↗