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At least 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Characterization of Meta-Materials Using Computational Electromagnetic Methods

An efficient and powerful computational method is presented to synthesize a meta-material to specified electromagnetic properties. Using the periodicity of meta-materials, the Finite Element Methodology (FEM) is developed to estimate the reflection and transmission through the meta-material structure for a normal plane wave incidence. For efficient computations of the reflection and transmission over a wide band frequency range through a meta-material a Finite Difference Time Domain (FDTD) approach is also developed. Using the Nicholson-Ross method and the Genetic Algorithms, a robust procedure to extract electromagnetic properties of meta-material from the knowledge of its reflection and transmission coefficients is described. Few numerical examples are also presented to validate the present approach.

Deshpande, Manohar↗
DOE OSTI2021

Creation of the VADER Code in SCALE [Abstract]

The VADER (Validation Analysis Data Evaluation Resource) is a new module in SCALE 6.3 that has been derived from the legacy USLSTATS program. VADER is a tool that allows the determination of bias and bias uncertainty for criticality safety computational methods. The older USLSTATS program, written in Java, existed outside of SCALE and provided tools to calculate only the confidence band with administrative margin (sometimes called USL-1) and the single-sided uniform width closed interval (USL-2). For normality testing it only offered a crude chi- squared normality test that had no user-configurable options and presented a simple pass/no-pass functionality.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2001

Approach for Uncertainty Propagation and Robust Design in CFD Using Sensitivity Derivatives

This paper presents an implementation of the approximate statistical moment method for uncertainty propagation and robust optimization for a quasi 1-D Euler CFD (computational fluid dynamics) code. Given uncertainties in statistically independent, random, normally distributed input variables, a first- and second-order statistical moment matching procedure is performed to approximate the uncertainty in the CFD output. Efficient calculation of both first- and second-order sensitivity derivatives is required. In order to assess the validity of the approximations, the moments are compared with statistical moments generated through Monte Carlo simulations. The uncertainties in the CFD input variables are also incorporated into a robust optimization procedure. For this optimization, statistical moments involving first-order sensitivity derivatives appear in the objective function and system constraints. Second-order sensitivity derivatives are used in a gradient-based search to successfully execute a robust optimization. The approximate methods used throughout the analyses are found to be valid when considering robustness about input parameter mean values.

Putko, Michele M.↗
NASA NTRS1978

A simple method for obtaining a three-dimensional proton distribution function from Voyager plasma data

The main sensor of the Vogager plasma experiment consists of a cluster of three, modulated-grid Faraday cups whose normals are arranged symmetrically about the symmetry axis of the cluster at an angle of 20 degrees to that axis. In interplanetary space, each cup explores the positive ion distribution by accepting particles from contiguous slices in velocity space. The slices are narrow in the direction of the normal to the modulating grid but are broad in planes parallel to that grid. The resulting three sets of measurements can be combined to yield the three-dimensional distribution function in the following way: the distribution function is assumed to be gyrotropic. For each value of speed in a frame of reference moving with the bulk velocity of the solar wind, the variation of the distribution function with angle from the field direction is represented by a series of Legendre polynomials. Effects such as double-streaming and heat flow can be well represented by using only the first three terms of the series which are fully specified by the measurements. Examples of the use of this method in the analysis of Voyager data are shown.

Olbert, S.↗
NASA NTRS1988

Preliminary experiments on surface flow visualization in the cryogenic wind tunnel by use of condensing or freezing gases

Cryogenic wind tunnel users must have available surface flow visualization techniques to satisfy a variety of needs. While the ideal from an aerodynamic stand would be non-intrusive, until an economical technique is developed there will be occasions when the user will be prepared to resort to an intrusive method. One such method is proposed, followed by preliminary evaluation experiments carried out in environments representative of the cryogenic nitrogen tunnel. The technique uses substances which are gases at normal temperature and pressure but liquid or solid at cryogenic temperatures. These are deposited on the model in localized regions, the patterns of the deposits and their subsequent melting or evaporation revealing details of the surface flow. The gases were chosen because of the likelihood that they will not permanently contaminate the model or tunnel. Twenty-four gases were identified as possibly suitable and four of these were tested from which it was concluded that surface flow direction can be shown by the method. Other flow details might also be detectable. The cryogenic wind tunnel used was insulated on the outside and did not show signs of contamination.

Goodyer, M. J.↗
NASA NTRS1975

Estimating proportions of objects from multispectral scanner data

Progress is reported in developing and testing methods of estimating, from multispectral scanner data, proportions of target classes in a scene when there are a significiant number of boundary pixels. Procedures were developed to exploit: (1) prior information concerning the number of object classes normally occurring in a pixel, and (2) spectral information extracted from signals of adjoining pixels. Two algorithms, LIMMIX and nine-point mixtures, are described along with supporting processing techniques. An important by-product of the procedures, in contrast to the previous method, is that they are often appropriate when the number of spectral bands is small. Preliminary tests on LANDSAT data sets, where target classes were (1) lakes and ponds, and (2) agricultural crops were encouraging.

Horwitz, H. M.↗
NASA NTRS1994

Cold dark matter. 2: Spatial and velocity statistics

We examine high-resolution gravitational N-body simulations of the omega = 1 cold dark matter (CDM) model in order to determine whether there is any normalization of the initial density fluctuation spectrum that yields acceptable results for galaxy clustering and velocities. Dense dark matter halos in the evolved mass distribution are identified with luminous galaxies; the most massive halos are also considered as sites for galaxy groups, with a range of possibilities explored for the group mass-to-light ratios. We verify the earlier conclusions of White et al. (1987) for the low-amplitude (high-bias) CDM model-the galaxy correlation function is marginally acceptable but that there are too many galaxies. We also show that the peak biasing method does not accurately reproduce the results obtained using dense halos identified in the simulations themselves. The Cosmic Background Explorer (COBE) anisotropy implies a higher normalization, resulting in problems with excessive pairwise galaxy velocity dispersion unless a strong velocity bias is present. Although we confirm the strong velocity bias of halos reported by Couchman & Carlberg (1992), we show that the galaxy motions are still too large on small scales. We find no amplitude for which the CDM model can reconcile simultaneously and galaxy correlation function, the low pairwise velocity dispersion, and the richness distribution of groups and clusters. With the normalization implied by COBE, the CDM spectrum has too much power on small scales if omega = 1.

Gelb, James M.↗
DOE OSTI2019

Synthesis and anticancer effects of conjugates of doxorubicin and unsaturated fatty acids (LNA and DHA)

Doxorubicin (DOX) is a leading cytostatic drug with many adverse effects in use. We are still looking for methods that will allow us to preserve the therapeutic effect against the tumor cells and reduce the toxicity to the normal cells. In our work, we obtained amide derivatives of DOX by reaction of the amino group with α-linolenic (LNA) and docosahexaenoic (DHA) acids (2, 3), as well as double-substituted derivatives via amide and ester linkages (4, 5). The structures of the compounds were confirmed by Proton Nuclear Magnetic Resonance (1H NMR), Carbon-13 Nuclear Magnetic Resonance (13C NMR), and High Resolution Mass Spectrometry (HRMS) analyses. For all compounds 3-(4,5-dimethylthiazolyl-2)-2,5-diphenyltetrazolium bromide (MTT) assay was used to determine the cytotoxic effect on human cancer cell lines (SW480, SW620, and PC3) and Chinese hamster lung fibroblasts (V79) that were used as a control. The cytotoxic activity was established by calculation of the inhibitory concentration IC{sub 50}. In addition, a cytotoxic capacity against tumor cells for tested compounds was expressed as a selectivity factor (selectivity index, SI). Lactate dehydrogenase (LDH) assay was performed for all compounds to assess the level of cell damage. To explain the basic mechanism of cell death induction the Annexin V-FITC/IP flow cytometry analysis was investigated. We found that all studied conjugates exhibit lower cytotoxicity but higher selectivity than DOX. Among the all derivatives, the conjugates formed by the amide and ester linkages (4, 5) were found to be more promising compared with conjugates (2, 3) formed only by the amide linkage. They show high cytotoxicity toward the tumor cell lines and moderate cytotoxicity towards the normal cell line.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Demonstration of MgCr 2– x Mn x O 4 Spinel Oxide Cathodes in High-Voltage Mg Batteries

Solid-solution oxide spinels with high redox voltages and facile Mg 2+ mobility have been identified as promising candidates for practical, high-voltage cathodes in Mg batteries. In this work, we discuss the development of MgCr 2-x Mn x O 4 [x = 0.5, 1, 1.2] solid-solution spinel oxides as a cathode material and their electrochemical performance paired with an Mg anode in a full cell. This work presents the first demonstration of full cells with these materials. Mg-Cr-Mn spinel oxides with varying Cr and Mn contents were synthesized using alternative synthetic routes for optimal electrochemical performance. High-resolution synchrotron powder X-ray diffraction (PXRD), solid-state nuclear magnetic resonance (NMR) spectroscopy, and electron microscopy showed that these different synthetic routes resulted in changes in structures and particle morphologies, which in turn affect the electrochemical performance. Particularly, the urea coprecipitation synthetic route resulted in high-surface-area particles that enabled lower overpotentials and increased discharge capacity. The high surface area also resulted in expedited structural degradation caused by the irreversible migration of Mg 2+ into normally vacant 16c sites in the spinel lattice. This structural degradation was lessened by using a hydrosauna-urea synthesis method, which decreased the Mg/Mn inversion ratio while retaining high-surface-area particles with good cycling performance. Furthermore, our findings highlight the necessity for high surface area or nanostructured spinel oxide cathodes with minimized Mg-Mn inversion to enable spinel oxide cathodes in Mg full cells.

Mg anode↗
DOE OSTI2020

The Role of Dimethylammonium in Bandgap Modulation for Stable Halide Perovskites

Halide perovskites with bandgaps of 1.70–1.85 eV are of interest for multijunction photovoltaics. Mixing halides on the X site of the ABX3-structured perovskite system is a common way to reach these bandgaps, but this method introduces phase segregation pathways, limiting photovoltage. Recently, a new strategy for increasing the bandgap has been introduced, where cations normally too large to fit into the lattice, but compensated by smaller cations, are substituted on the A site. The mechanism underlying the increase of the bandgap with this strategy remained an open question. Here, we show that by partial substitution of the large dimethylammonium (DMA) cation at the A site of FA x Cs 1–x PbI y Br 3–y perovskites, a bandgap increase is observed not only when DMA is compensated by smaller Cs cations but also when only DMA is added, which is accompanied by an expansion of the crystal lattice. Our experimental findings suggest that adding DMA is causing an unexpected tilt in the perovskite octahedra, increasing the bandgap. Efficient solar cells based on 1.73 eV DMA-incorporated materials are extremely stable, retaining 96% of their original efficiency over 2200 h at 85 °C in the dark and 92% of their original efficiency after operation at 60 °C for 500 h. Finally, this octahedral tilting strategy is a promising route for attaining efficient and stable wide bandgap perovskite solar cells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Constraint on the matter–antimatter symmetry-violating phase in neutrino oscillations

The charge-conjugation and parity-reversal (CP) symmetry of fundamental particles is a symmetry between matter and antimatter. Violation of this CP symmetry was first observed in 1964, and CP violation in the weak interactions of quarks was soon established. Sakharov proposed that CP violation is necessary to explain the observed imbalance of matter and antimatter abundance in the Universe. Yet, CP violation in quarks is too small to support this explanation. So far, CP violation has not been observed in non-quark elementary particle systems. It has been shown that CP violation in leptons could generate the matter–antimatter disparity through a process called leptogenesis. Leptonic mixing, which appears in the standard model’s charged current interactions, provides a potential source of CP violation through a complex phase δ CP , which is required by some theoretical models of leptogenesis. This CP violation can be measured in muon neutrino to electron neutrino oscillations and the corresponding antineutrino oscillations, which are experimentally accessible using accelerator-produced beams as established by the Tokai-to-Kamioka (T2K) and NOvA experiments. Until now, the value of δ CP has not been substantially constrained by neutrino oscillation experiments. Here we report a measurement using long-baseline neutrino and antineutrino oscillations observed by the T2K experiment that shows a large increase in the neutrino oscillation probability, excluding values of δ CP that result in a large increase in the observed antineutrino oscillation probability at three standard deviations (3σ). The 3σ confidence interval for δ CP , which is cyclic and repeats every 2π, is [-3.41, -0.03] for the so-called normal mass ordering and [-2.54, -0.32] for the inverted mass ordering. Our findings indicate CP violation in leptons and our method enables sensitive searches for matter–antimatter asymmetry in neutrino oscillations using accelerator-produced neutrino beams. Future measurements with larger datasets will test whether leptonic CP violation is larger than the CP violation in quarks.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Growth of nanostructured molybdenum disulfide (MoS 2 ) thin films on a nanohole-patterned substrate using plasma-enhanced atomic layer deposition (ALD)

Nanostructured molybdenum disulfide (MoS 2 ) thin films were grown on a nanohole-patterned silicon substrate using plasma-enhanced atomic layer deposition. A nanoscale hole-patterned silicon substrate was fabricated for the growth of MoS 2 film using the self-assembly-based nanofabrication method. The nanoscale holes can significantly increase the surface area of the substrate while the formation and growth of nanostructures normally start at the surface of the substrate. Hydrogen sulfide (H 2 S) gas was used as the S source in the growth of molybdenum disulfide (MoS 2 ) while molybdenum (V) chloride (MoCl 5 ) powder was used as the Mo source. The MoS 2 film had a stoichiometric ratio of 1 (Mo) to 2 (S), and had peaks of E 1 2g and A 1g , which represent the in-plane and out-plane vibration modes of the Mo–S bond, respectively. It was found that the MoS 2 film grown in the nanoscale hole, especially at the wall of the hole, has more hexagonal-like structures due to the effects of nanoscale space confinement and the nanoscale interface although the film shows an amorphous structure. Post-growth high-temperature annealing ranging from 800 to 900 °C produced local crystalline structures in the film, which are compatible with those reported by other researchers.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Anomaly Detection for Online Monitoring of Thermocouple Sensors in the Advanced Test Reactor

This study explores data-driven anomaly detection methods to analyze sensor fail- ures in the Advanced Gas Reactor (AGR) nuclear fuel irradiation experiments. Specifically, we examine failures of thermocouples (TCs), which are critical for mon- itoring and controlling in-reactor temperatures during operation. Failures were pri- marily observed during abrupt power transitions and manifested as sensor drop-outs, drifts, or unexplained behavior. We applied three time-series analysis techniques— rolling mean smoothing, matrix profile, and vector auto-regression (VAR)—to de- tect anomalies in TC data prior to failure events. The rolling mean method effec- tively highlighted deviations aligned with reported failures, while the matrix profile provided partial early warning but sometimes flagged normal fluctuations during power-down periods. VAR shows potential in capturing multivariate dependencies but requires further calibration. A rare case of TC drift was also documented, which did not result in failure, underscoring the challenge of building predictive models with sparse positive examples. Our findings demonstrate that traditional statistical tools can aid anomaly detection but have limited predictive power without richer training data. We propose future directions including synthetic data generation, real- time surrogate modeling, and multi-modal feature integration. This work provides a foundation for applying robust anomaly detection frameworks to mission-critical sensor systems in experimental settings.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Ab initio study on fcc Pr with correlation matrix renormalization theory

Here, we studied fcc praseodymium (Pr) with the ab initio correlation matrix renormalization theory (CMRT) explicitly calculating the Coulomb interactions among basis orbitals and without using any adjustable parameters to work for strongly correlated electron systems. We calculated its total energy in a paramagnetic ground state and studied the role of the correlated 4f electrons in the system. Good agreement was obtained between CMRT and experiments in the pressure volume dependence of the fcc phase. We also compared the CMRT results against other theoretical methods including local density approximation + dynamical mean-field theory and showed consistent results among them. Moreover, we found the normalized local charge fluctuation of the 4f electrons as the function of volume exhibits a clear slope change at the volume collapse region, indicating a switch in their correlation nature there.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Using limited neural networks to assess relative mechanistic influence on shock heating in granular solids

The rapid compaction of granular media results in localized heating that can induce chemical reactions, phase transformations, and melting. However, there are numerous mechanisms in play that can be dependent on a variety of microstructural features. Machine learning techniques such as neural networks offer a ubiquitous method to develop models for physical processes. Limiting what kind of microstructural information is used as an input and assessing normalized changes in network error, the relative importance of different mechanisms can be inferred. Here we utilize binned, initial density information as network inputs to predict local shock heating in a granular high explosive trained from large-scale molecular dynamics simulations. In this study, the spatial extent of the density field used in the network is altered to assess the importance and relevant length scales of the physical mechanisms in play, where different microstructural features result in different predictive capabilities.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Quantitatively Monitoring Bubble-Flow at a Seep Site Offshore Oregon: Field Trials and Methodological Advances for Parallel Optical and Hydroacoustical Measurements

Two lander-based devices, the Bubble-Box and GasQuant-II, were used to investigate the spatial and temporal variability and total gas flow rates of a seep area offshore Oregon, United States. The Bubble-Box is a stereo camera–equipped lander that records bubbles inside a rising corridor with 80 Hz, allowing for automated image analyses of bubble size distributions and rising speeds. GasQuant is a hydroacoustic lander using a horizontally oriented multibeam swath to record the backscatter intensity of bubble streams passing the swath plain. The experimental set up at the Astoria Canyon site at a water depth of about 500 m aimed at calibrating the hydroacoustic GasQuant data with the visual Bubble-Box data for a spatial and temporal flow rate quantification of the site. For about 90 h in total, both systems were deployed simultaneously and pressure and temperature data were recorded using a CTD as well. Detailed image analyses show a Gaussian-like bubble size distribution of bubbles with a radius of 0.6–6 mm (mean 2.5 mm, std. dev. 0.25 mm); this is very similar to other measurements reported in the literature. Rising speeds ranged from 15 to 37 cm/s between 1- and 5-mm bubble sizes and are thus, in parts, slightly faster than reported elsewhere. Bubble sizes and calculated flow rates are rather constant over time at the two monitored bubble streams. Flow rates of these individual bubble streams are in the range of 544–1,278 mm 3 /s. One Bubble-Box data set was used to calibrate the acoustic backscatter response of the GasQuant data, enabling us to calculate a flow rate of the ensonified seep area (~1,700 m 2 ) that ranged from 4.98 to 8.33 L/min (5.38 × 10 6 to 9.01 × 10 6 CH 4 mol/year). Such flow rates are common for seep areas of similar size, and as such, this location is classified as a normally active seep area. For deriving these acoustically based flow rates, the detailed data pre-processing considered echogram gridding methods of the swath data and bubble responses at the respective water depth. The described method uses the inverse gas flow quantification approach and gives an in-depth example of the benefits of using acoustic and optical methods in tandem.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1962

THE MERCURY CAPSULE ATTITUDE CONTROL SYSTEM

In accordance with the basic design concepts of the Mercury Capsule, the manual and automatic control systems were developed to provide a redundant and integrated method of controlling the capsule attitude. The systems were designed to meet the requirements of ballistic and orbital flight, for normal and abort missions. Since the orbital mission includes all modes of control, it will serve as a basis for the system description.

Mercury capsule↗
NASA NTRS1976

Stability derivatives for bodies of revolution at subsonic speeds

The paper considers a rigid pointed body of revolution in a steady uniform subsonic flow. The body performs harmonic small-amplitude pitching oscillations around its zero angle of attack position. The body is assumed to be smooth and sufficiently slender so that the small perturbation concept can be applied. The basis of the method used, following Revell (1960), is the relation of a body-fixed perturbation potential to the general velocity potential. Normal force distributions as well as total force and moment coefficients are calculated for parabolic spindles and the numerical results show good agreement between Revell's second-order slender body theory and the present theory for the static stability derivatives of the parabolic spindles.

Liu, D. D.↗