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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Engineering applications of heuristic multilevel optimization methods

Some engineering applications of heuristic multilevel optimization methods are presented and the discussion focuses on the dependency matrix that indicates the relationship between problem functions and variables. Coordination of the subproblem optimizations is shown to be typically achieved through the use of exact or approximate sensitivity analysis. Areas for further development are identified.

Barthelemy, Jean-Francois M.↗
NASA NTRS1989

Engineering applications of heuristic multilevel optimization methods

Some engineering applications of heuristic multilevel optimization methods are presented and the discussion focuses on the dependency matrix that indicates the relationship between problem functions and variables. Coordination of the subproblem optimizations is shown to be typically achieved through the use of exact or approximate sensitivity analysis. Areas for further development are identified.

Barthelemy, Jean-Francois M.↗
NASA NTRS1989

Engineering applications of heuristic multilevel optimization methods

Some engineering applications of heuristic multilevel optimization methods are presented and the discussion focuses on the dependency matrix that indicates the relationship between problem functions and variables. Coordination of the subproblem optimizations is shown to be typically achieved through the use of exact or approximate sensitivity analysis. Areas for further development are identified.

Barthelemy, Jean-Francois M.↗
DOE OSTI2024

“Best” Iterative Coupled-Cluster Triples Model? More Evidence for 3CC

To follow up on the unexpectedly good performance of several coupled-cluster models with approximate inclusion of 3-body clusters we performed a more complete assessment of the 3CC method for accurate computational thermochemistry in the standard HEAT framework. New spin-integrated implementation of the 3CC method applicable to closed- and open-shell systems utilizes a new automated toolchain for derivation, optimization, and evaluation of operator algebra in many-body electronic structure. We found that with a double-ζ basis set the 3CC correlation energies and their atomization energy contributions are almost always more accurate (with respect to the CCSDTQ reference) than the CCSDT model as well as the standard CCSD(T) model. The mean absolute errors in cc-pVDZ {3CC, CCSDT, and CCSD(T)} electronic (per valence electron) and atomization energies relative to the CCSDTQ reference for the HEAT data set, were {24, 70, 122} μE h /e and {0.46, 2.00, 2.58} kJ/mol, respectively. The mean absolute errors in the complete-basis-set limit {3CC, CCSDT, and CCSD(T)} atomization energies relative to the HEAT model reference, were {0.52, 2.00, and 1.07} kJ/mol, The significant and systematic reduction of the error by the 3CC method and its lower cost than CCSDT suggests it as a viable candidate for post- CCSD(T) thermochemistry applications, as well as the preferred alternative to CCSDT in general.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Shadow Distillation: Quantum Error Mitigation with Classical Shadows for Near-Term Quantum Processors

Mitigating errors in quantum information processing devices is especially important in the absence of fault tolerance. An effective method in suppressing state-preparation errors is using multiple copies to distill the ideal component from a noisy quantum state. Here, we use classical shadows and randomized measurements to circumvent the need for coherent access to multiple copies at an exponential cost. We study the scaling of resources using numerical simulations and find that the overhead is still favorable compared to full state tomography. We optimize measurement resources under realistic experimental constraints and apply our method to an experiment preparing a Greenberger-Horne-Zeilinger state with trapped ions. In addition to improving stabilizer measurements, the analysis of the improved results reveals the nature of errors affecting the experiment. Hence, our results provide a directly applicable method for mitigating errors in near-term quantum computers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRSDate not supplied

Prediction-Based Auralization of a Multirotor Urban Air Mobility Vehicle

Recent advances in auralization methods applicable to rotary wing vehicles have made it possible to undertake a prediction-based auralization of a representative multirotor urban air mobility vehicle. These advances include a new capability for synthesizing loading and thickness noise directly from the prediction method and a new capability for predicting and synthesizing modulating broadband self noise within a unified system noise prediction-auralization framework. These capabilities are demonstrated for a six passenger quadrotor reference vehicle design using collective-pitch control. Propagation of the source noise to a ground observer completes the auralization process. The demonstrated capability serves as the basis for future work directed at perception-influenced design of low noise urban air mobility vehicles.

Auralization↗
NASA NTRS1989

Calculation of flight vibration levels of the AH-1G helicopter and correlation with existing flight vibration measurements

Boeing Helicopters, together with other U.S. Helicopter manufacturers, participated in a finite element applications program to give the United States a superior capability to utilize finite element analysis models in support of helicopter airframe design. The program was sponsored by the NASA Langley Research Center. Under this program, an activity was sponsored to evaluate existing analysis methods applicable to calculate coupled rotor-airframe vibrations. The helicopter used in this evaluation was the AH-1G helicopter. The results of the Boeing Helicopters efforts are summarized. The planned analytical procedure is reviewed. Changes to the planned procedure are discussed, and results of the correlation study are presented.

Ditaranto, R. A.↗
NASA NTRS1979

ATLAS, an integrated structural analysis and design system. Volume 6: Design module theory

The automated design theory underlying the operation of the ATLAS Design Module is decribed. The methods, applications and limitations associated with the fully stressed design, the thermal fully stressed design and a regional optimization algorithm are presented. A discussion of the convergence characteristics of the fully stressed design is also included. Derivations and concepts specific to the ATLAS design theory are shown, while conventional terminology and established methods are identified by references.

Backman, B. F.↗
DOE OSTI2020

Instrumentation and experimental procedures for robust collection of X-ray diffraction data from protein crystals across physiological temperatures

Traditional X-ray diffraction data collected at cryo-temperatures have delivered invaluable insights into the three-dimensional structures of proteins, providing the backbone of structure–function studies. While cryo-cooling mitigates radiation damage, cryo-temperatures can alter protein conformational ensembles and solvent structure. Furthermore, conformational ensembles underlie protein function and energetics, and recent advances in room-temperature X-ray crystallography have delivered conformational heterogeneity information that can be directly related to biological function. Given this capability, the next challenge is to develop a robust and broadly applicable method to collect single-crystal X-ray diffraction data at and above room temperature. This challenge is addressed herein. The approach described provides complete diffraction data sets with total collection times as short as ~5 s from single protein crystals, dramatically increasing the quantity of data that can be collected within allocated synchrotron beam time. Its applicability was demonstrated by collecting 1.09–1.54 Å resolution data over a temperature range of 293–363 K for proteinase K, thaumatin and lysozyme crystals at BL14-1 at the Stanford Synchrotron Radiation Lightsource. Here, the analyses presented here indicate that the diffraction data are of high quality and do not suffer from excessive dehydration or radiation damage.

36 MATERIALS SCIENCE↗
NASA NTRS2002

Quantitative analysis of aortic regurgitation: real-time 3-dimensional and 2-dimensional color Doppler echocardiographic method--a clinical and a chronic animal study

BACKGROUND: For evaluating patients with aortic regurgitation (AR), regurgitant volumes, left ventricular (LV) stroke volumes (SV), and absolute LV volumes are valuable indices. AIM: The aim of this study was to validate the combination of real-time 3-dimensional echocardiography (3DE) and semiautomated digital color Doppler cardiac flow measurement (ACM) for quantifying absolute LV volumes, LVSV, and AR volumes using an animal model of chronic AR and to investigate its clinical applicability. METHODS: In 8 sheep, a total of 26 hemodynamic states were obtained pharmacologically 20 weeks after the aortic valve noncoronary (n = 4) or right coronary (n = 4) leaflet was incised to produce AR. Reference standard LVSV and AR volume were determined using the electromagnetic flow method (EM). Simultaneous epicardial real-time 3DE studies were performed to obtain LV end-diastolic volumes (LVEDV), end-systolic volumes (LVESV), and LVSV by subtracting LVESV from LVEDV. Simultaneous ACM was performed to obtain LVSV and transmitral flows; AR volume was calculated by subtracting transmitral flow volume from LVSV. In a total of 19 patients with AR, real-time 3DE and ACM were used to obtain LVSVs and these were compared with each other. RESULTS: A strong relationship was found between LVSV derived from EM and those from the real-time 3DE (r = 0.93, P <.001, mean difference (3D - EM) = -1.0 +/- 9.8 mL). A good relationship between LVSV and AR volumes derived from EM and those by ACM was found (r = 0.88, P <.001). A good relationship between LVSV derived from real-time 3DE and that from ACM was observed (r = 0.73, P <.01, mean difference = 2.5 +/- 7.9 mL). In patients, a good relationship between LVSV obtained by real-time 3DE and ACM was found (r = 0.90, P <.001, mean difference = 0.6 +/- 9.8 mL). CONCLUSION: The combination of ACM and real-time 3DE for quantifying LV volumes, LVSV, and AR volumes was validated by the chronic animal study and was shown to be clinically applicable.

Validation Studies↗
NASA NTRS1996

Applications of Formal Methods to Specification and Safety of Avionics Software

This report treats several topics in applications of formal methods to avionics software development. Most of these topics concern decision tables, an orderly, easy-to-understand format for formally specifying complex choices among alternative courses of action. The topics relating to decision tables include: generalizations fo decision tables that are more concise and support the use of decision tables in a refinement-based formal software development process; a formalism for systems of decision tables with behaviors; an exposition of Parnas tables for users of decision tables; and test coverage criteria and decision tables. We outline features of a revised version of ORA's decision table tool, Tablewise, which will support many of the new ideas described in this report. We also survey formal safety analysis of specifications and software.

Hoover, D. N.↗
DOE OSTI2022

A Review on Application of Poly(3,4-ethylenedioxythiophene) (PEDOT) in Rechargeable Batteries

Since the very first patent on poly(3,4-ethylenedioxythiophene) (PEDOT) that was filed in 1988, this polymer has been widely utilized and has achieved great success owing to its high electrical conductivity and excellent stability. The application of the conducting polymer, PEDOT, in renewable energy devices, especially rechargeable batteries, is attracting increasing attention due to its potential to solve the energy and climate crisis. In this review, we summarize the research over the past few decades directed toward the application of PEDOT in rechargeable batteries aimed at improving their electrochemical performance. We focus on PEDOT synthesized via oxidative chemical vapor deposition (oCVD), a relatively new process known for its ability to grow conducting polymer thin films with uniform, pinhole-free properties, and controllable thickness and conformality. For a comparison purpose, PEDOT synthesized via solution-based methods is also briefly summarized. Finally, future research directions for applying oCVD PEDOT in rechargeable batteries are discussed. Introduction PEDOT Synthesis Methods Application of oCVD PEDOT in Rechargeable Batteries Applications of Solution-Based PEDOT in Rechargeable Batteries Conclusions and Outlook

25 ENERGY STORAGE↗
NASA NTRS1952

Propeller induced angles of attack and section angles of attack for the NACA 10-(3)(066)-03, 10-(3)(049)-03, 10-(3)(090)-03, 10-(5)(066)-03, and 10-(0)(066)-03 propellers

This paper presents the results of an induced angle-of-attack calculation using a method applicable to a propeller with arbitrary circulation distribution. Tables of induced angles of attack and section angles of attack and curves of wake-survey results are presented for the NACA 10-(3)(066)-03, 10-(3)(049)-03, 10-(3)(090)-03, 10-(5)(066)-03, and 10-(0)(066)-03 propellers. A brief description of the method of calculating propeller induced angles of attack is given.

Igoe, William, B↗
DOE OSTI2026

Enhancing the efficiency of time-dependent density functional theory calculations of dynamic response properties

X-ray Thomson scattering (XRTS) constitutes an essential technique for diagnosing material properties under extreme conditions, such as high pressures and intense laser heating. Time-dependent density functional theory (TDDFT) is one of the most accurate available ab initio methods for modeling XRTS spectra, as well as a host of other dynamic material properties. However, strong thermal excitations, along with the need to account for variations in temperature and density as well as the finite size of the detector significantly increase the computational cost of TDDFT simulations compared to ambient conditions. In this work, we present a broadly applicable method for optimizing and enhancing the efficiency of TDDFT calculations. Our approach is based on a one-to-one mapping between the dynamic structure factor and the imaginary time density–density correlation function, which naturally emerges in Feynman’s path integral formulation of quantum many-body theory. Specifically, we combine rigorous convergence tests in the imaginary time domain with a constraints-based attenuation of narrow-band fluctuations to improve the efficiency of TDDFT modeling without the introduction of any significant bias. As a result, we can report a speed-up by up to an order of magnitude, thus substantially reducing the burden of computational cost required for XRTS analysis.

Moldabekov, Zhandos A. [Helmholtz-Zentrum Dresden-↗
DOE OSTI2022

Analysis of SCALE Criticality and Sensitivity Calculations for Reflected HEU Cylinders [Slides]

The SCALE code package offers multiple nuclear data libraries supporting Monte Carlo transport, with sensitivity and uncertainty methods derived from MC transport solutions. Several libraries are multigroup, which introduce bias differing by system. Previous work has shown poor S/U results in several reflector materials: ICSBEP benchmark HMF-084 was selected to analyze biases and S/U method applicability to a variety of reflectors. Prior and ongoing work found inaccuracies in CSAS and TSUNAMI results, which were further investigated utilizing the HEU-MET-FAST-084 ICSBEP critical benchmark, chosen for its geometrical simplicity and variety of reflector materials. Perturbation of reflector thickness across various reflector materials allowed for an assortment of materials is to be tested swiftly for each sequence and method. Observation was an increasing bias of MG $k_{eff}$ relative to CE, in both direction and magnitude. IFP produced extremely reliable results. >85% of CLUTCH cases were found satisfactory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1991

Stirling engine: Available tools for long-life assessment

A review is presented for the durability approaches applicable to long-time life assessment of Stirling engine hot-section components. The crucial elements are experimental techniques for generating long-time materials property data (both monotonic and cyclic flow and failure properties); analytic representations of slow strain rate material stress-strain response characteristics (monotonic and cyclic constitutive relations) at high temperatures and low stresses and strains; analytic creep-fatigue-environmental interaction life prediction methods applicable to long lifetimes at high temperatures and small stresses and strains; and experimental verification of life predictions. Long-lifetime design criteria for materials of interest are woefully lacking. Designing against failures due to creep, creep-rupture, fatigue, environmental attack, and creep-fatigue-environmental interaction will require considerable extrapolation. Viscoplastic constitutive models and time-temperature parameters will have to be calibrated for the hot-section materials of interest. Analysis combined with limited verification testing in a short-time regime will be required to build confidence in long-lifetime durability models.

Halford, Gary R.↗
NASA NTRS1991

Stirling engine - Available tools for long-life assessment

A review is presented for the durability approaches applicable to long-time life assessment of Stirling engine hot-section components. The crucial elements are experimental techniques for generating long-time materials property data (both monotonic and cyclic flow and failure properties); analytic representations of slow strain rate material stress-strain response characteristics (monotonic and cyclic constitutive relations) at high temperatures and low stresses and strains; analytic creep-fatigue-environmental interaction life prediction methods applicable to long lifetimes at high temperatures and small stresses and strains; and experimental verification of life predictions. Long-lifetime design criteria for materials of interest are woefully lacking. Designing against failures due to creep, creep-rupture, fatigue, environmental attack, and creep-failure-environmental interaction will require considerable extrapolation. Viscoplastic constitutive models and time-temperature parameters will have to be calibrated for the hot-section materials of interest. Analysis combined with limited verification testing in a short-time regime will be required to build confidence in long-lifetime durability models.

Halford, Gary R.↗