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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Downfolding from ab initio to interacting model Hamiltonians: comprehensive analysis and benchmarking of the DFT+cRPA approach

Abstract Model Hamiltonians are regularly derived from first principles to describe correlated matter. However, the standard methods for this contain a number of largely unexplored approximations. For a strongly correlated impurity model system, here we carefully compare a standard downfolding technique with the best possible ground-truth estimates for charge-neutral excited-state energies and wave functions using state-of-the-art first-principles many-body wave function approaches. To this end, we use the vanadocene molecule and analyze all downfolding aspects, including the Hamiltonian form, target basis, double-counting correction, and Coulomb interaction screening models. We find that the choice of target-space basis functions emerges as a key factor for the quality of the downfolded results, while orbital-dependent double-counting corrections diminish the quality. Background screening of the Coulomb interaction matrix elements primarily affects crystal-field excitations. Our benchmark uncovers the relative importance of each downfolding step and offers insights into the potential accuracy of minimal downfolded model Hamiltonians.

Chemistry↗
DOE OSTI2024

Ratio-preserving approach to cosmological concordance

Cosmological observables are particularly sensitive to key ratios of energy densities and rates, both today and at earlier epochs of the Universe. Well-known examples include the photon-to-baryon and the matter-to-radiation ratios. Equally important, though less publicized, are the ratios of pressure-supported to pressureless matter and the Thomson scattering rate to the Hubble rate around recombination, both of which observations tightly constrain. Preserving these key ratios in theories beyond the Λ Cold-Dark-Matter ( Λ CDM ) model ensures broad concordance with a large swath of datasets when addressing cosmological tensions. We demonstrate that a mirror dark sector, reflecting a partial Z 2 symmetry with the Standard Model, in conjunction with percentage level changes to the visible fine-structure constant and electron mass which represent a phenomenological change to the Thomson scattering rate, maintains essential cosmological ratios. Incorporating this ratio-preserving approach into a cosmological framework significantly improves agreement to observational data ( Δ χ 2 = - 35.72 ) and completely eliminates the Hubble tension with a cosmologically inferred H 0 = 73.80 ± 1.02 km / s / Mpc when including the S H 0 ES calibration in our analysis. While our approach is certainly nonminimal, it emphasizes the importance of keeping key ratios constant when exploring models beyond Λ CDM .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Risk-Adaptive Experimental Design for High-Consequence Systems: LDRD Final Report

Constructing accurate statistical models of critical system responses typically requires an enormous amount of data from physical experiments or numerical simulations. Unfortunately, data generation is often expensive and time consuming. To streamline the data generation process, optimal experimental design determines the 'best' allocation of experiments with respect to a criterion that measures the ability to estimate some important aspect of an assumed statistical model. While optimal design has a vast literature, few researchers have developed design paradigms targeting tail statistics, such as quantiles. In this project, we tailored and extended traditional design paradigms to target distribution tails. Our approach included (i) the development of new optimality criteria to shape the distribution of prediction variances, (ii) the development of novel risk-adapted surrogate models that provably overestimate certain statistics including the probability of exceeding a threshold, and (iii) the asymptotic analysis of regression approaches that target tail statistics such as superquantile regression. To accompany our theoretical contributions, we released implementations of our methods for surrogate modeling and design of experiments in two complementary open source software packages, the ROL/OED Toolkit and PyApprox.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1975

A model-based analysis of a display for helicopter landing approach

A control theoretic model of the human pilot was used to analyze a baseline electronic cockpit display in a helicopter landing approach task. The head down display was created on a stroke written cathode ray tube and the vehicle was a UH-1H helicopter. The landing approach task consisted of maintaining prescribed groundspeed and glideslope in the presence of random vertical and horizontal turbulence. The pilot model was also used to generate and evaluate display quickening laws designed to improve pilot vehicle performance. A simple fixed base simulation provided comparative tracking data.

Hess, R. A.↗
NASA NTRS1976

A model-based analysis of a display for helicopter landing approach

A control theoretic model of the human pilot was used to analyze a baseline electronic cockpit display in a helicopter landing approach task and to generate display quickening laws designed to improve pilot-vehicle performance. A simple fixed base simulation provided comparative tracking data which allowed refinement of the pilot model.

Hess, R. A.↗
NASA NTRS1980

Analysis of fuel-conservative curved decelerating approach trajectories for powered-lift and CTOL jet aircraft

A method for determining fuel conservative terminal approaches that include changes in altitude, speed, and heading are described. Three different guidance system concepts for STOL aircraft were evaluated in flight: (1) a fixed trajectory system; (2) a system that included a fixed path and a real time synthesized capture flight path; and (3) a trajectory synthesizing system. Simulation results for the augmentor wing jet STOL research aircraft and for the Boeing 727 aircraft are discussed. The results indicate that for minimum fuel consumption, two guidance deceleration segments are required.

Neuman, F.↗
NASA NTRS1994

A modular approach for automated sample preparation and chemical analysis

Changes in international relations, especially within the past several years, have dramatically affected the programmatic thrusts of the U.S. Department of Energy (DOE). The DOE now is addressing the environmental cleanup required as a result of 50 years of nuclear arms research and production. One major obstacle in the remediation of these areas is the chemical determination of potentially contaminated material using currently acceptable practices. Process bottlenecks and exposure to hazardous conditions pose problems for the DOE. One proposed solution is the application of modular automated chemistry using Standard Laboratory Modules (SLM) to perform Standard Analysis Methods (SAM). The Contaminant Analysis Automation (CAA) Program has developed standards and prototype equipment that will accelerate the development of modular chemistry technology and is transferring this technology to private industry.

Clark, Michael L.↗
NASA NTRS2004

Uncertainty-Based Approach for Dynamic Aerodynamic Data Acquisition and Analysis

Development of improved modeling methods to provide increased fidelity of flight predictions for aircraft motions during flight in flow regimes with large nonlinearities requires improvements in test techniques for measuring and characterizing wind tunnel data. This paper presents a method for providing a measure of data integrity for static and forced oscillation test techniques. Data integrity is particularly important when attempting to accurately model and predict flight of today s high performance aircraft which are operating in expanded flight envelopes, often maneuvering at high angular rates at high angles-of-attack, even above maximum lift. Current aerodynamic models are inadequate in predicting flight characteristics in the expanded envelope, such as rapid aircraft departures and other unusual motions. Present wind tunnel test methods do not factor changes of flow physics into data acquisition schemes, so in many cases data are obtained over more iterations than required, or insufficient data may be obtained to determine a valid estimate with statistical significance. Additionally, forced oscillation test techniques, one of the primary tools used to develop dynamic models, do not currently provide estimates of the uncertainty of the results during an oscillation cycle. A method to optimize the required number of forced oscillation cycles based on decay of uncertainty gradients and balance tolerances is also presented.

Heim, Eugene H. D.↗
NASA NTRS2005

Fast Whole-Engine Stirling Analysis

An experimentally validated approach is described for fast axisymmetric Stirling engine simulations. These simulations include the entire displacer interior and demonstrate it is possible to model a complete engine cycle in less than an hour. The focus of this effort was to demonstrate it is possible to produce useful Stirling engine performance results in a time-frame short enough to impact design decisions. The combination of utilizing the latest 64-bit Opteron computer processors, fiber-optical Myrinet communications, dynamic meshing, and across zone partitioning has enabled solution times at least 240 times faster than previous attempts at simulating the axisymmetric Stirling engine. A comparison of the multidimensional results, calibrated one-dimensional results, and known experimental results is shown. This preliminary comparison demonstrates that axisymmetric simulations can be very accurate, but more work remains to improve the simulations through such means as modifying the thermal equilibrium regenerator models, adding fluid-structure interactions, including radiation effects, and incorporating mechanodynamics.

Dyson, Rodger W.↗
NASA NTRS2007

Fast Whole-Engine Stirling Analysis

An experimentally validated approach is described for fast axisymmetric Stirling engine simulations. These simulations include the entire displacer interior and demonstrate it is possible to model a complete engine cycle in less than an hour. The focus of this effort was to demonstrate it is possible to produce useful Stirling engine performance results in a time-frame short enough to impact design decisions. The combination of utilizing the latest 64-bit Opteron computer processors, fiber-optical Myrinet communications, dynamic meshing, and across zone partitioning has enabled solution times at least 240 times faster than previous attempts at simulating the axisymmetric Stirling engine. A comparison of the multidimensional results, calibrated one-dimensional results, and known experimental results is shown. This preliminary comparison demonstrates that axisymmetric simulations can be very accurate, but more work remains to improve the simulations through such means as modifying the thermal equilibrium regenerator models, adding fluid-structure interactions, including radiation effects, and incorporating mechanodynamics.

Dyson, Rodger W.↗
NASA NTRS2013

Shape-Constrained Segmentation Approach for Arctic Multiyear Sea Ice Floe Analysis

The melting of sea ice is correlated to increases in sea surface temperature and associated climatic changes. Therefore, it is important to investigate how rapidly sea ice floes melt. For this purpose, a new Tempo Seg method for multi temporal segmentation of multi year ice floes is proposed. The microwave radiometer is used to track the position of an ice floe. Then,a time series of MODIS images are created with the ice floe in the image center. A Tempo Seg method is performed to segment these images into two regions: Floe and Background.First, morphological feature extraction is applied. Then, the central image pixel is marked as Floe, and shape-constrained best merge region growing is performed. The resulting tworegionmap is post-filtered by applying morphological operators.We have successfully tested our method on a set of MODIS images and estimated the area of a sea ice floe as afunction of time.

SEA ICE FLOE↗
NASA NTRS2016

A Comparative Analysis of Phase-Change Wastewater Processing Approaches for Microgravity

Two phase-change wastewater processing candidates, the ISS Vapor Compression Distillation (VCD) System and the Cascade Distiller System (CDS), are compared based on dynamic modeling of both technologies. Differences in fluid handling and energy recovery for the technologies are described and contrasted. Model predictions are presented showing how temperatures, pressures, and compositions vary locally within each distiller. These dynamic variations are difficult to observe experimentally and have implications regarding non-condensable buildup and salt precipitation potential. Alternative architectures involving VCD and CDS components are analyzed in terms of predicted performance and equivalent system mass (ESM). The addition of a downstream brine processor to increase water recovery is also evaluated. Options for reducing overall ESM are discussed, including the possibility of developing a single precipitation-tolerant primary wastewater processor.

Lange, Kevin↗