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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

High-Order Mesh Morphing for Boundary and Interface Fitting to Implicit Geometries

Here, we propose a method that morphs high-order meshes such that their boundaries and interfaces coincide/align with implicitly defined geometries. Our focus is particularly on the case when the target surface is prescribed as the zero isocontour of a smooth discrete function. Common examples of this scenario include using level set functions to represent material interfaces in multimaterial configurations, and evolving geometries in shape and topology optimization. The proposed method formulates the mesh optimization problem as a variational minimization of the sum of a chosen mesh-quality metric using the Target-Matrix Optimization Paradigm (TMOP) and a penalty term that weakly forces the selected faces of the mesh to align with the target surface. The distinct features of the method are use of a source mesh to represent the level set function with sufficient accuracy, and adaptive strategies for setting the penalization weight and selecting the faces of the mesh to be fit to the target isocontour of the level set field. We demonstrate that the proposed method is robust for generating boundary- and interface-fitted meshes for curvilinear domains using different element types in 2D and 3D.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1994

Total hydrocarbon analysis by ion mobility spectrometry

Astronauts must be alerted quickly to chemical leaks that compromise their health and the success of their missions. An ideal leak detector would be equally sensitive to all compounds that might constitute a hazard and insensitive to nontoxic compounds. No ideal sensor exists; thus, selection of a methodology is a series of compromises. The commonly used methods are either insensitive at the low exposure levels set by OSHA, NASA, and other organizations or are selectively insensitive to important classes of chemicals such as Freons. After extensive study and experience, the Toxicology Group at JSC has selected ion mobility spectrometry (IMS) for development into a broad range, sensitive detector. In addition to the sensing method, signal processing is important leak detection because a background signal can be expected at all times. The leak-detecting instrument must be programmed to discriminate between authentic leaks and background fluctuations caused by routine operations. The results of an evaluation of the prototype THA is presented in terms related to spacecraft operations. The evaluation included determination of instrumental parameters such as stability and response times. We also included responses to some common components of spacecraft atmospheres in pure form and in binary and ternary mixtures. The output of the four algorithms to the mixtures was found to be noticeably different. These responses are compared on the basis of their utility for signaling a chemical leak. As a means of evaluating its resistance to a falsely positive response, the THA was challenged with carbon dioxide and methane, compounds whose concentrations normally increase in spacecraft air during human habitation. The instrument showed virtually no response to these interferences. Although the prototype THA is designed for space flight, this detector is expected to be useful for field screening at chemical waste dumps and other environmentally sensitive locations.

Cross, John H.↗
DOE OSTI2019

Distributed renewable energy resource trust metrics and secure routing

To ensure reliable and predictable service in the electrical grid between distributed renewable distributed energy resources (DERs) it is important to gauge the level of trust present within critical components and DER aggregators (DERAs). Although trust throughout a smart grid is temporal and dynamically varies according to measured states, it is possible to accurately formulate communications and service level strategies based on such trust measurements. Utilizing an effective set of machine learning and statistical methods, it is shown that establishment of trust levels between DERAs using behavioral pattern analysis is possible. Further, it is also shown that the establishment of such trust can facilitate simple secure communications routing between DERAs. Providing secure routing between DERAs enables a grid operator to maintain service level agreements to its customers, reduce the attack surface and increase operational resiliency.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A simple and highly efficient protocol for 13 C-labeling of plant cell wall for structural and quantitative analyses via solid-state nuclear magnetic resonance

Plant cell walls are made of a complex network of interacting polymers that play a critical role in plant development and responses to environmental changes. Thus, improving plant biomass and fitness requires the elucidation of the structural organization of plant cell walls in their native environment. The 13 C-based multi-dimensional solid-state nuclear magnetic resonance (ssNMR) has been instrumental in revealing the structural information of plant cell walls through 2D and 3D correlation spectral analyses. However, the requirement of enriching plants with 13 C limits the applicability of this method. To our knowledge, there is only a very limited set of methods currently available that achieve high levels of 13 C-labeling of plant materials using 13 CO 2 , and most of them require large amounts of 13 CO 2 in larger growth chambers. In this study, a simplified protocol for 13C-labeling of plant materials is introduced that allows ca 60% labeling of the cell walls, as quantified by comparison with commercially labeled samples. This level of 13 C-enrichment is sufficient for all conventional 2D and 3D correlation ssNMR experiments for detailed analysis of plant cell wall structure. The protocol is based on a convenient and easy setup to supply both 13 C-labeled glucose and 13 CO 2 using a vacuum-desiccator. The protocol does not require large amounts of 13 CO 2 . This study shows that our 13 C-labeling of plant materials can make the accessibility to ssNMR technique easy and affordable. The derived high-resolution 2D and 3D correlation spectra are used to extract structural information of plant cell walls. This helps to better understand the influence of polysaccharide-polysaccharide interaction on plant performance and allows for a more precise parametrization of plant cell wall models.

09 BIOMASS FUELS↗
NASA NTRS1992

Ab initio study of the molecular structure and vibrational spectrum of nitric acid and its protonated forms

The equilibrium structures, harmonic vibrational frequencies, IR intensities, and relative energetics of HNO3 and its protonated form H2NO3+ were investigated using double-zeta plus polarization and triple-zeta plus polarization basis sets in conjunction with high-level ab initio methods. The latter include second-order Moller-Plesset perturbation theory, the single and double excitation coupled cluster (CCSD) methods, a perturbational estimate of the effects of connected triple excitations (CCSD(T)), and the self-consistent field. To determine accurate energy differences CCSD(T) energies were computed using large atomic natural orbital basis sets. Four different isomers of H2NO3+ were considered. The lowest energy form of protonated nitric acid was found to correspond to a complex between H2O and NO2+, which is consistent with earlier theoretical and experimental studies.

Lee, Timothy J.↗
NASA NTRS1992

The structure and energetics of Cr(CO)6 and Cr(CO)5

The geometric structure of Cr(CO)6 is optimized at the modified coupled pair functional (MCPF), single and double excitation coupled-cluster (CCSD) and CCSD(T) levels of theory (including a perturbational estimate for connected triple excitations), and the force constants for the totally symmetric representation are determined. The geometry of Cr(CO)5 is partially optimized at the MCPF, CCSD, and CCSD(T) levels of theory. Comparison with experimental data shows that the CCSD(T) method gives the best results for the structures and force constants, and that remaining errors are probably due to deficiencies in the one-particle basis sets used for CO. The total binding energies of Cr(CO)6 and Cr(CO)5 are also determined at the MCPF, CCSD, and CCSD(T) levels of theory. The CCSD(T) method gives a much larger total binding energy than either the MCPF or CCSD methods. An analysis of the basis set superposition error (BSSE) at the MCPF level of treatment points out limitations in the one-particle basis used. Calculations using larger basis sets reduce the BSSE, but the total binding energy of Cr(CO)6 is still significantly smaller than the experimental value, although the first CO bond dissociation energy of Cr(CO)6 is well described. An investigation of 3s3p correlation reveals only a small effect. In the largest basis set, the total CO binding energy of Cr(CO)6 is estimated to be 140 kcal/mol at the CCSD(T) level of theory, or about 86 percent of the experimental value. The remaining discrepancy between the experimental and theoretical value is probably due to limitations in the one-particle basis, rather than limitations in the correlation treatment. In particular an additional d function and an f function on each C and O are needed to obtain quantitative results. This is underscored by the fact that even using a very large primitive set (1042 primitive functions contracted to 300 basis functions), the superposition error for the total binding energy of Cr(CO)6 is 22 kcal/mol at the MCPF level of treatment.

Barnes, Leslie A.↗
NASA NTRS2001

Left ventricular endocardial surface detection based on real-time 3D echocardiographic data

OBJECTIVE: A new computerized semi-automatic method for left ventricular (LV) chamber segmentation is presented. METHODS: The LV is imaged by real-time three-dimensional echocardiography (RT3DE). The surface detection model, based on level set techniques, is applied to RT3DE data for image analysis. The modified level set partial differential equation we use is solved by applying numerical methods for conservation laws. The initial conditions are manually established on some slices of the entire volume. The solution obtained for each slice is a contour line corresponding with the boundary between LV cavity and LV endocardium. RESULTS: The mathematical model has been applied to sequences of frames of human hearts (volume range: 34-109 ml) imaged by 2D and reconstructed off-line and RT3DE data. Volume estimation obtained by this new semi-automatic method shows an excellent correlation with those obtained by manual tracing (r = 0.992). Dynamic change of LV volume during the cardiac cycle is also obtained. CONCLUSION: The volume estimation method is accurate; edge based segmentation, image completion and volume reconstruction can be accomplished. The visualization technique also allows to navigate into the reconstructed volume and to display any section of the volume.

Non-NASA Center↗
DOE OSTI2018

Bayesian Static Parameter Estimation for Partially Observed Diffusions via Multilevel Monte Carlo

In this article we consider static Bayesian parameter estimation for partially observed diffusions that are discretely observed. We work under the assumption that one must resort to discretizing the underlying diffusion process, for instance, using the Euler--Maruyama method. Given this assumption, we show how one can use Markov chain Monte Carlo (MCMC) and particularly particle MCMC [C. Andrieu, A. Doucet, and R. Holenstein, J. R. Stat. Soc. Ser. B Stat. Methodol., 72 (2010), 269--342] to implement a new approximation of the multilevel (ML) Monte Carlo (MC) collapsing sum identity. Our approach comprises constructing an approximate coupling of the posterior density of the joint distribution over parameter and hidden variables at two different discretization levels and then correcting by an importance sampling method. The variance of the weights are independent of the length of the observed data set. The utility of such a method is that, for a prescribed level of mean square error, the cost of this MLMC method is provably less than i.i.d. sampling from the posterior associated to the most precise discretization. However the method here comprises using only known and efficient simulation methodologies. Finally, the theoretical results are illustrated by inference of the parameters of two prototypical processes given noisy partial observations of the process: the first is an Ornstein--Uhlenbeck process and the second is a more general Langevin equation.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2018

Lessons and Recommendations for Board-Level Testing with Protons

Protons with sufficiently high energy, provided in a broad field covering on the order of 0.1m2 can be used to perform board-level testing for single event effects (SEE). NASA has used this approach for board-level testing over the last 20 years. Although many difficulties inherent in SEE testing are simplified when using a board-level test, including reduced cost, the method is inherently risky because of the limited value of the collected data and the potential to make critical mistakes when performing SEE testing this way, leading to data of less value. Historically, NASA’s approach to proton board-level testing has been limited to lower criticality applications. However, with users both inside and outside NASA using this method for higher levels of mission assurance, we have put together a set of lessons and recommendations to improve the value of data collected using this method. Focus areas covered include test preparation, test execution, and interpretation of results.

Guertin, Steven M.↗
DOE OSTI2018

Relativistic MR-MP Energy Levels for L-shell Ions of Sulfur and Argon

Calculated level energies for valence and K-vacancy states are given for the ion series S vii–S xiv and Ar ix–Ar xvi. The calculations were performed with the relativistic Multi-Reference Møller–Plesset Perturbation Theory method (MR-MP). The data set includes all the level energies with configurations $1{s}^{2}2{(s,p)}^{q}$, $1{s}^{2}2{(s,p)}^{q-1}{nl}$, $1{s}^{1}2{(s,p)}^{q+1}$, $1{s}^{1}2{(s,p)}^{q}{nl}$, $2{(s,p)}^{q+2}$, and $2{(s,p)}^{q+1}{nl}$, where 1 ≤ q ≤ 8, n ≤ 5, and l ≤ 3. We have compared our results with data from the National Institute of Standards and Technology (NIST) online database and with previous calculations. The average deviation of valence level energies ranges from 0.16 eV in Ne-like ions to 0.01 eV in Li-like ions, demonstrating that the present MR-MP valence level energies are highly accurate. In the case of K-vacancy states, the deviation is generally below 0.3 eV for Li-like S xiv and Ar xvi. The deviation for K-vacancy energies in other L-shell ions (Be-, B-, C-, N-, and O-like Ar ions) is higher but likely because the NIST-recommended values have a higher uncertainty. The data set includes many n = 4 and n = 5 valence and K-vacancy levels in L-shell ions of S and Ar that have not been previously reported. The data can be used for line identification and modeling of L-shell ions of S and Ar in astrophysical and laboratory-generated plasmas, and as energy references in the absence of more accurate laboratory calculations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Anharmonic Bloch oscillations of electrons in electrically biased superlattices

The phenomenon of anharmonic Bloch oscillations (i.e., oscillations with a frequency which is a multiple of the Bloch frequency) is considered. The energy-band structure of silicon-carbide polytypes where these oscillations are observed is calculated ab initio. A one-dimensional model potential making it possible to calculate the Stark wave functions in a biased superlattice is constructed for these polytypes. The transfer matrix method is used to find the set of energy levels (the so-called Stark ladder) and calculate the electron wave functions. It is shown that both radiative transitions between neighboring Stark levels (at the Bloch frequency) and transitions in the form of jumps via several levels, accompanied by emission at frequencies that are multiples of the Bloch frequency, may occur. The calculated probabilities of transitions between Stark-ladder levels increase with increasing applied field strength.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Judgments of eye level in light and in darkness

Subjects judged eye level in the light and in the dark by raising and lowering themselves in a dental chair until a stationary target appeared to be at the level of their eyes. This method reduced the possibility of subjects' using visible landmarks as reference points for setting eye level during lighted trials, which may have contributed to artificially low estimates of the variability of this judgment in previous studies. Chair settings were 2.5 deg higher in the dark than in the light, and variability was approximately 66 percent greater in the dark than in the light. These results are discussed in terms of possible interactions of two separate systems, one sensitive to the orientations of visible surfaces and the other sensitive to bodily and gravitational information.

Stoper, Arnold E.↗
DOE OSTI2025

Multiclass Classification Using Bayesian Multivariate Adaptive Regression Splines

We present a new Bayesian model for the problem of multiclass classification. In this model, the probabilities of class membership of a given observation are determined by the mean of a latent Gaussian distribution. The mean functions of this latent distribution consist of combinations of highly flexible basis functions of the inputs: multivariate adaptive regression splines (MARS), first developed for multiple regression. We use reversible jump Markov chain Monte Carlo to make inference on the classification model, including the number of basis functions. We compare the probabilistic classification performance of our proposed approach to existing methods on simulated and benchmark data, and compare uncertainty estimates on simulated data. Our proposed method compares favorably with existing Bayesian and frequentist multiclass classification methods in out-of-sample probabilistic classification, and uncertainty estimation of these probabilistic classifications. We examine the fit of the proposed method to a data set of hurricane storm surge levels near Delaware Bay, US, and conclude that sea level rise is a key contributor to damage delivered by storm surge.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1972

The Valuation of Scientific and Technical Experiments

Rational selection of scientific and technical experiments for space missions is studied. Particular emphasis is placed on the assessment of value or worth of an experiment. A specification procedure is outlined and discussed for the case of one decision maker. Experiments are viewed as multi-attributed entities, and a relevant set of attributes is proposed. Alternative methods of describing levels of the attributes are proposed and discussed. The reasonableness of certain simplifying assumptions such as preferential and utility independence is explored, and it is tentatively concluded that preferential independence applies and utility independence appears to be appropriate.

Williams, F. E.↗
DOE OSTI2016

Generic and robust method for automatic segmentation of PET images using an active contour model

Purpose: Although positron emission tomography (PET) images have shown potential to improve the accuracy of targeting in radiation therapy planning and assessment of response to treatment, the boundaries of tumors are not easily distinguishable from surrounding normal tissue owing to the low spatial resolution and inherent noisy characteristics of PET images. The objective of this study is to develop a generic and robust method for automatic delineation of tumor volumes using an active contour model and to evaluate its performance using phantom and clinical studies. Methods: MASAC, a method for automatic segmentation using an active contour model, incorporates the histogram fuzzy C-means clustering, and localized and textural information to constrain the active contour to detect boundaries in an accurate and robust manner. Moreover, the lattice Boltzmann method is used as an alternative approach for solving the level set equation to make it faster and suitable for parallel programming. Twenty simulated phantom studies and 16 clinical studies, including six cases of pharyngolaryngeal squamous cell carcinoma and ten cases of nonsmall cell lung cancer, were included to evaluate its performance. Besides, the proposed method was also compared with the contourlet-based active contour algorithm (CAC) and Schaefer’s thresholding method (ST). The relative volume error (RE), Dice similarity coefficient (DSC), and classification error (CE) metrics were used to analyze the results quantitatively. Results: For the simulated phantom studies (PSs), MASAC and CAC provide similar segmentations of the different lesions, while ST fails to achieve reliable results. For the clinical datasets (2 cases with connected high-uptake regions excluded) (CSs), CAC provides for the lowest mean RE (−8.38% ± 27.49%), while MASAC achieves the best mean DSC (0.71 ± 0.09) and mean CE (53.92% ± 12.65%), respectively. MASAC could reliably quantify different types of lesions assessed in this work with good accuracy, resulting in a mean RE of −13.35% ± 11.87% and −11.15% ± 23.66%, a mean DSC of 0.89 ± 0.05 and 0.71 ± 0.09, and a mean CE of 19.19% ± 7.89% and 53.92% ± 12.65%, for PSs and CSs, respectively. Conclusions: The authors’ results demonstrate that the developed novel PET segmentation algorithm is applicable to various types of lesions in the authors’ study and is capable of producing accurate and consistent target volume delineations, potentially resulting in reduced intraobserver and interobserver variabilities observed when using manual delineation and improved accuracy in treatment planning and outcome evaluation.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1986

Accelerated Stress-Corrosion Testing

Test procedures for accelerated stress-corrosion testing of high-strength aluminum alloys faster and provide more quantitative information than traditional pass/fail tests. Method uses data from tests on specimen sets exposed to corrosive environment at several levels of applied static tensile stress for selected exposure times then subsequently tensile tested to failure. Method potentially applicable to other degrading phenomena (such as fatigue, corrosion fatigue, fretting, wear, and creep) that promote development and growth of cracklike flaws within material.

Source record↗
NASA NTRS2005

Effective Radius of Ice Cloud Particle Populations Derived from Aircraft Probes

The effective radius(r(sub e)) is a crucial variable in representing the radiative properties of cloud layers in general circulation models. This parameter is proportional to the condensed water content (CWC) divided by the extinction (sigma). For ice cloud layers, parameterizations for r(sub e), have been developed from aircraft in-situ measurements 1) indirectly, using data obtained from particle spectrometer probes and assumptions or observations about particle shape and mass to get the ice water content (IWC) and area to get sigma, and recently 2) from probes that measure IWC and sigma directly. This study compares [IWC/sigma] derived from the two methods using data sets acquired from comparable instruments on two aircraft, one sampling clouds at mid-levels and the other at upper-levels during the CRYSTAL-FACE field program in Florida in 2002. The sigma and IWC derived by each method are compared and evaluated in different ways for each aircraft data set. Direct measurements of sigma exceed those derived indirectly by a factor of two to two and a half. The IWC probes, relying on ice sublimation, appear to measure accurately except when the IWC is high or the particles too large to sublimate completely during the short transit time through the probe. The IWC estimated from the particle probes are accurate when direct measurements are available to provide constraints and useful information in high IWC/large particle situations. Because of the discrepancy in sigma estimates between the direct and indirect approaches, there is a factor of 2 to 3 difference in [IWC/sigma] between them. Although there are significant uncertainties involved in its use, comparisons with several independent data sources suggest that the indirect method is the more accurate of the two approaches. However, experiments are needed to resolve the source of the discrepancy in sigma.

Heymsfield, Andrew J.↗
DOE OSTI2020

Digital zero noise extrapolation for quantum error mitigation

Zero-noise extrapolation (ZNE) is an increasingly popular technique for mitigating errors in noisy quantum computations without using additional quantum resources. We review the fundamentals of ZNE and propose several improvements to noise scaling and extrapolation, the two key components in the technique. We introduce unitary folding and parameterized noise scaling. Furthermore, these are digital noise scaling frameworks, i.e. one can apply them using only gate-level access common to most quantum instruction sets. We also study different extrapolation methods, including a new adaptive protocol that uses a statistical inference framework. Benchmarks of our techniques show error reductions of 18X to 24X over non-mitigated circuits and demonstrate ZNE effectiveness at larger qubit numbers than have been tested previously. In addition to presenting new results, this work is a self-contained introduction to the practical use of ZNE by quantum programmers.

quantum computing↗