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At least 613 records · Page 34

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NASA NTRS1972

Liapunov functions for non-linear difference equation stability analysis.

Liapunov functions to determine the stability of non-linear autonomous difference equations can be developed through the use of auxiliary exact difference equations. For this purpose definitions are introduced for the gradient of an implicit function of a discrete variable, a principal sum, a definite sum and an exact difference equation, and a theorem for exactness of a difference form is proved. Examples illustrate the procedure.

Park, K. E.↗

DOE OSTI2017

Influence of Asymmetric Cyclic Loading on Structural Evolution and Deformation Behavior of Cu-5 at.% Zr Alloy: An Atomistic Simulation-Based Study

Molecular dynamics (MD) simulation-based studies of tensile test and structural evolution of Cu-5 at.% Zr alloy under asymmetric cyclic loading (i.e., ratcheting behavior) considering various stress ratios such as − 0.2, − 0.4 and − 0.6 for different temperatures, viz.≈ 100, 300 and 500 K have been performed using embedded atom model Finnis–Sinclair potential. According to obtained stress–strain response from MD calculation, Cu-5 at.% Zr alloy specimen is pristine in nature as sudden drop in stress just after yield stress and subsequent elastic type deformation are observed for this alloy. Predicted ratcheting strain by MD simulation for Cu-5 at.% Zr alloy varies from 4.5 to 5%. Significant increase in ratcheting strain has been observed with the increase in temperature. Slight reduction in crystallinity is identified at the middle of the each loading cycle from the performed radial distribution function analysis and cluster analysis.

36 MATERIALS SCIENCE↗

NASA NTRS1996

Spectral Analysis and Experimental Modeling of Ice Accretion Roughness

A self-consistent scheme for relating wind tunnel ice accretion roughness to the resulting enhancement of heat transfer is described. First, a spectral technique of quantitative analysis of early ice roughness images is reviewed. The image processing scheme uses a spectral estimation technique (SET) which extracts physically descriptive parameters by comparing scan lines from the experimentally-obtained accretion images to a prescribed test function. Analysis using this technique for both streamwise and spanwise directions of data from the NASA Lewis Icing Research Tunnel (IRT) are presented. An experimental technique is then presented for constructing physical roughness models suitable for wind tunnel testing that match the SET parameters extracted from the IRT images. The icing castings and modeled roughness are tested for enhancement of boundary layer heat transfer using infrared techniques in a "dry" wind tunnel.

Orr, D. J.↗

NASA NTRS2001

Evidence-Based Approach to the Analysis of Serious Decompression Sickness with Application to EVA Astronauts

It is important to understand the risk of serious hypobaric decompression sickness (DCS) in order to develop procedures and treatment responses to mitigate the risk. Since it is not ethical to conduct prospective tests about serious DCS with humans, the necessary information was gathered from 73 published reports. We hypothesize that a 4-hr 100% oxygen (O2) prebreathe results in a very low risk of serious DCS, and test this through analysis. We evaluated 258 tests containing information from 79,366 exposures in attitude chambers. Serious DCS was documented in 918 men during the tests. Serious DCS are signs and symptoms broadly classified as Type II DCS. A risk function analysis with maximum likelihood optimization was performed to identify significant explanatory variables, and to create a predictive model for the probability of serious DCS [P(serious DCS)]. Useful variables were Tissue Ratio, the planned time spent at altitude (T(sub alt)), and whether or not repetitive exercise was performed at altitude. Tissue Ratio is P1N2/P2, where P1N2 is calculated nitrogen (N2) pressure in a compartment with a 180-min half-time for N2 pressure just before ascent, and P2 is ambient pressure after ascent. A prebreathe and decompression profile Shuttle astronauts use for extravehicular activity (EVA) includes a 4-hr prebreathe with 100% O2, an ascent to P2 = 4.3 lb per sq. in. absolute, and a T(sub alt) = 6 hr. The P(serious DCS) is: 0.0014 (0.00096 - 0.00196, 95% confidence interval) with exercise and 0.00025 (0.00016 - 0.00035) without exercise. Given 100 Shuttle EVAs to date and no report of serious DCS, the true risk is less than 0.03 with 95% confidence (Binomial Theorem). It is problematic to estimate the risk of serious DCS since it appears infrequently, even if the estimate is based on thousands of altitude chamber exposures. The true risk to astronauts may lie between the extremes of the confidence intervals (0.00016 - 0.00196) since the contribution of other factors, particularly exercise, to the risk of serious DCS during EVA is unknown. A simple model that only accounts for four important variables in retrospective data is still helpful to increase our understanding about the risk of serious DCS.

Conkin, Johnny↗

DOE OSTI2022

Liquid and Glass Phases of an Alkylguanidinium Sulfonate Hydrogen-Bonded Organic Framework

Glassy phases of framework materials feature unique and tunable properties that are advantageous for gas separation membranes, solid electrolytes, and phase-change memory applications. However, the structural and chemical diversity of porous frameworks that can be liquified and quenched into a glass has been limited by thermal decomposition at-or below-the high temperatures required to induce a melting transition. Utilizing a desymmetrization strategy, in this work we report a new guanidinium organosulfonate hydrogen-bonded organic framework (HOF) that melts and vitrifies below 100 °C. In this low-temperature regime, non-covalent interactions between guest molecules and the porous framework become a dominant contributor to the overall stability of the structure, resulting in unusual phase behavior such as guest dependent melting, glass, and recrystallization transitions. Through molecular dynamics simulations and pair distribution function analysis, we show that the local structure of the amorphous liquid and glass phase resembles that of the parent crystalline framework. Access to molten phases of framework materials at moderate temperatures should permit the use of more thermally sensitive functional groups and enhance the structural control and tunability that can be realized in network-forming glasses.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

Independent and parallel evolution of new genes by gene duplication in two origins of C4 photosynthesis provides new insight into the mechanism of phloem loading in C4 species

C4 photosynthesis is considered one of the most remarkable examples of evolutionary convergence in eukaryotes. However, it is unknown whether the evolution of C4 photosynthesis required the evolution of new genes. Genome-wide gene-tree species-tree reconciliation of seven monocot species that span two origins of C4 photosynthesis revealed that there was significant parallelism in the duplication and retention of genes coincident with the evolution of C4 photosynthesis in these lineages. Specifically, 21 orthologous genes were duplicated and retained independently in parallel at both C4 origins. Analysis of this gene cohort revealed that the set of parallel duplicated and retained genes is enriched for genes that are preferentially expressed in bundle sheath cells, the cell type in which photosynthesis was activated during C4 evolution. Moreover, functional analysis of the cohort of parallel duplicated genes identified SWEET-13 as a potential key transporter in the evolution of C4 photosynthesis in grasses, and provides new insight into the mechanism of phloem loading in these C4 species.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1977

Orbital construction support equipment

Approximately 200 separate construction steps were defined for the three solar power satellite (SPS) concepts. Detailed construction scenarios were developed which describe the specific tasks to be accomplished, and identify general equipment requirements. The scenarios were used to perform a functional analysis, which resulted in the definition of 100 distinct SPS elements. These elements are the components, parts, subsystems, or assemblies upon which construction activities take place. The major SPS elements for each configuration are shown. For those elements, 300 functional requirements were identified in seven generic processes. Cumulatively, these processes encompass all functions required during SPS construction/assembly. Individually each process is defined such that it includes a specific type of activity. Each SPS element may involve activities relating to any or all of the generic processes. The processes are listed, and examples of the requirements defined for a typical element are given.

Source record↗

DOE OSTI2023

FRAM Isotopic Analysis of High-Resolution CZT Data

H3D Inc. has introduced a new type of CZT detectors that has resolution several times better than that of a typical, single crystal CZT detector. The better resolution has made it easier for software codes to analyze its spectra for isotopic composition of nuclear materials. The Fixed-energy Response-function Analysis with multiple efficiency (FRAM) is one of such software codes. The good peak resolution of the H3D CZT detectors allows the current FRAM v.6.1 and earlier to successfully analyze uranium spectra with minimal modification of the parameter sets and get reasonable results. (A parameter set governs how an analysis is performed.) The exceptionally large high-energy tail of the peaks makes it difficult to achieve good uranium results and impossible to successfully analyze plutonium spectra. The FRAM code needed to be modified to better fit the high-energy tail of the peaks in order to analyze plutonium data and to get better uranium analysis results. Results of this modification, encoded in beta version FRAM v.7.0i, are reported herein.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2018

Quantitative proteome analysis identifies MAP2K6 as potential regulator of LIFR-induced radioresistance in nasopharyngeal carcinoma cells

Using Tandem Mass Tags (TMT) labeling and LC-MS/MS analysis of peptides from two cell lines (CNE2 and its radioresistant subclone CNE2-IR), we identified 754 proteins differentially expressed in CNE2-IR compared to CNE2. MAP2K6 was identified as a candidate radioresistance-related protein kinase. In vitro functional analysis revealed that over-expression of MAP2K6 significantly enhanced cell survival and colony formation following irradiation in NPC cells. Further, knockdown of MAP2K6 in radioresistant NPC cells led to decreased colony formation and increased apoptotic cells following irradiation. However, the effect of MAP2K6 in regulating the radioresistance in NPC cells did not seem to depend on p38/MAPK activity. Importantly, MAP2K6 might be required for leukemia inhibitory factor receptor (LIFR)-regulated radioresistance, as the expression levels of MAP2K6 affected LIFR/p70S6K signaling activation in NPC cells. Further, MAP2K6 kinase activity is required to activate LIFR/p70S6K signaling and to confer pro-survival effect on NPC cells. In conclusion, MAP2K6 might be an important regulator of LIFR-induced radioresistance in NPC.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2017

The Determination of Radiation Hardness of Semiconductor Materials and Devices with Ion Beams

lon accelerator based techniques provide unique tools to gain insight into the phenomena underlying the formation of defects induced by energetic particles in semiconductor materials and their effects on the electronic features of the device. In recognition of the potential of these techniques, with the aim of enhancing the understanding of the mechanisms underlying the degradation of the performances of semiconductor devices induced by ionizing radiation, the IAEA established a Research Project, coordinated by the Physics Section (CRP F11016) entitled "Utilization of ion accelerators for studying and modelling of radiation induced defects in semiconductors and insulators" at the end of 2011. The objective of this IAEA Coordinated Research Project (CRP) was to enhance the capabilities of the interested Member States by facilitating their collective efforts to use accelerator-based ion irradiation of electronic materials in conjunction with available advanced characterization techniques to gain a deeper understanding of how different types of radiation influences the electronic properties of materials and devices, leading to an improved radiation hardness. A dynamic and productive research was stimulated by this CRP among collaborating partners, resulting in publications in scientific journals [CRP2016], educational and scientific software packages [W8, Forneris2014], and a number of collaborations among the participating research groups. Two of the most significant outcomes of this project are i) the experimental protocol, which rationalizes the use of the many existing characterization techniques adopted to investigate radiation effects in semiconductor devices and ii) the relevant theoretical approach to interpret the experimental data [Vittone2016 and references therein]. This publication integrates output of research articles published by the partners of the CRP and is aimed to provide an exhaustive description of the experimental protocol, the theoretical model with the relevant limits of application, the data analysis procedure, and the physical observables which can be effectively measured and which can be used for assessment of the radiation hardness of semiconductor devices. The intended audience of this report includes all those professionals and technologists working in ion beam functional analysis of semiconductor materials, solid-state physicists and engineers involved in the design of electronic devices working in radiation harsh environments.

36 MATERIALS SCIENCE↗

NASA NTRS2002

Mechanism of blood pressure and R-R variability: insights from ganglion blockade in humans

Spontaneous blood pressure (BP) and R-R variability are used frequently as 'windows' into cardiovascular control mechanisms. However, the origin of these rhythmic fluctuations is not completely understood. In this study, with ganglion blockade, we evaluated the role of autonomic neural activity versus other 'non-neural' factors in the origin of BP and R-R variability in humans. Beat-to-beat BP, R-R interval and respiratory excursions were recorded in ten healthy subjects (aged 30 +/- 6 years) before and after ganglion blockade with trimethaphan. The spectral power of these variables was calculated in the very low (0.0078-0.05 Hz), low (0.05-0.15 Hz) and high (0.15-0.35 Hz) frequency ranges. The relationship between systolic BP and R-R variability was examined by cross-spectral analysis. After blockade, R-R variability was virtually abolished at all frequencies; however, respiration and high frequency BP variability remained unchanged. Very low and low frequency BP variability was reduced substantially by 84 and 69 %, respectively, but still persisted. Transfer function gain between systolic BP and R-R interval variability decreased by 92 and 88 % at low and high frequencies, respectively, while the phase changed from negative to positive values at the high frequencies. These data suggest that under supine resting conditions with spontaneous breathing: (1) R-R variability at all measured frequencies is predominantly controlled by autonomic neural activity; (2) BP variability at high frequencies (> 0.15 Hz) is mediated largely, if not exclusively, by mechanical effects of respiration on intrathoracic pressure and/or cardiac filling; (3) BP variability at very low and low frequencies (< 0.15 Hz) is probably mediated by both sympathetic nerve activity and intrinsic vasomotor rhythmicity; and (4) the dynamic relationship between BP and R-R variability as quantified by transfer function analysis is determined predominantly by autonomic neural activity rather than other, non-neural factors.

Non-NASA Center↗

DOE OSTI2016

First Monte Carlo analysis of fragmentation functions from single-inclusive e + e - annihilation

Here, we perform the first iterative Monte Carlo (IMC) analysis of fragmentation functions constrained by all available data from single-inclusive $e^+ e^-$ annihilation into pions and kaons. The IMC method eliminates potential bias in traditional analyses based on single fits introduced by fixing parameters not well contrained by the data, and provides a statistically rigorous determination of uncertainties. Our analysis reveals specific features of fragmentation functions using the new IMC methodology and those obtained from previous analyses, especially for light quarks and for strange quark fragmentation to kaons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2013

Extracting strength from high pressure ramp-release experiments

Unloading from a plastically deformed state has long been recognized as a sensitive measure of a material's deviatoric response. In the case of a ramp compression and unload, time resolved particle velocity measurements of a sample/window interface may be used to gain insight into the sample material's strength. Unfortunately, measurements of this type are often highly perturbed by wave interactions associated with impedance mismatches. Additionally, wave attenuation, the finite pressure range over which the material elastically unloads, and rate effects further complicate the analysis. Here, we present a methodology that overcomes these shortcomings to accurately calculate a mean shear stress near peak compression for experiments of this type. A new interpretation of the self-consistent strength analysis is presented and then validated through the analysis of synthetic data sets on tantalum to 250 GPa. The synthetic analyses suggest that the calculated shear stresses are within 3% of the simulated values obtained using both rate-dependent and rate-independent constitutive models. Window effects are addressed by a new technique referred to as the transfer function approach, where numerical simulations are used to define a mapping to transform the experimental measurements to in situ velocities. The transfer function represents a robust methodology to account for complex wave interactions and a dramatic improvement over the incremental impedance matching methods traditionally used. The technique is validated using experiments performed on both lithium fluoride and tantalum ramp compressed to peak stresses of 10 and 15 GPa, respectively. In each case, various windows of different shock impedance are used to ensure consistency within the transfer function analysis. The data are found to be independent of the window used and in good agreement with previous results.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

Resolving the Atomic Structure of Sequential Infiltration Synthesis Derived Inorganic Clusters

Sequential infiltration synthesis (SIS) is a route to the precision deposition of inorganic solids in analogy to atomic layer deposition but occurs within (vs upon) a soft material template. SIS has enabled exquisite nanoscale morphological complexity in various oxides through selective nucleation in block copolymers templates. However, the earliest stages of SIS growth remain unresolved, including the atomic structure of nuclei and the evolution of local coordination environments, before and after polymer template removal. We employed In K-edge extended X-ray absorption fine structure and atomic pair distribution function analysis of high-energy X-ray scattering to unravel (1) the structural evolution of InO x H y clusters inside a poly(methyl methacrylate) (PMMA) host matrix and (2) the formation of porous In 2 O 3 solids (obtained after annealing) as a function of SIS cycle number. Early SIS cycles result in InO x H y cluster growth with high aspect ratio, followed by the formation of a three-dimensional network with additional SIS cycles. That the atomic structures of the InO x H y clusters can be modeled as multinuclear clusters with bonding patterns related to those in In 2 O 3 and In(OH) 3 crystal structures suggests that SIS may be an efficient route to 3D arrays of discrete-atom-number clusters. As a result, annealing the mixed inorganic/polymer films in air removes the PMMA template and consolidates the as-grown clusters into cubic In 2 O 3 nanocrystals with structural details that also depend on SIS cycle number.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Structure, Dynamics, and Reactivity for Light Alkane Oxidation of Fe(II) Sites Situated in the Nodes of a Metal–Organic Framework

Metal organic frameworks (MOFs), with their crystalline, porous structures, can be synthesized to incorporate a wide range of catalytically active metals in tailored surroundings. These materials have potential as catalysts for conversion of light alkanes, feedstocks available in large quantities from shale gas that are changing the economics of manufacturing commodity chemicals. Mononuclear high-spin (S = 2) Fe(II) sites situated in the nodes of the MOF MIL-100(Fe) convert propane via dehydrogenation, hydroxylation, and overoxidation pathways in reactions with the atomic oxidant N 2 O. Pair distribution function analysis, N 2 adsorption isotherms, X-ray diffraction patterns, and infrared and Raman spectra confirm the single-phase crystallinity and stability of MIL-100(Fe) under reaction conditions (523 K in vacuo, 378–408 K C 3 H 8 + N 2 O). Density functional theory (DFT) calculations illustrate a reaction mechanism for the formation of 2-propanol, propylene, and 1-propanol involving the oxidation of Fe(II) to Fe(III) via a high-spin Fe(IV)$=$O intermediate. The speciation of Fe(II) and Fe(III) in the nodes and their dynamic interchange was characterized by in situ X-ray absorption spectroscopy and ex situ Mössbauer spectroscopy. Furthermore, the catalytic relevance of Fe(II) sites and the number of such sites were determined using in situ chemical titrations with NO. N 2 and C 3 H 6 production rates were found to be first-order in N 2 O partial pressure and zero-order in C3H8 partial pressure, consistent with DFT calculations that predict the reaction of Fe(II) with N 2 O to be rate determining. DFT calculations using a broken symmetry method show that Fe-trimer nodes affecting reaction contain antiferromagnetically coupled iron species, and highlight the importance of stabilizing high-spin (S = 2) Fe(II) species for effecting alkane oxidation at low temperatures (<408 K).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles

$RAD51C$ is an enigmatic predisposition gene for breast, ovarian, and prostate cancer. Currently, missing structural and related functional understanding limits patient mutation interpretation to homology-directed repair (HDR) function analysis. Here we report the RAD51C-XRCC3 (CX3) X-ray co-crystal structure with bound ATP analog and define separable RAD51C replication stability roles informed by its three-dimensional structure, assembly, and unappreciated polymerization motif. Mapping of cancer patient mutations as a functional guide confirms ATP-binding matching RAD51 recombinase yet highlights distinct CX3 interfaces. Analyses of CRISPR/Cas9-edited human cells with $RAD51C$ mutations combined with single-molecule, single-cell and biophysics measurements uncover discrete CX3 regions for DNA replication fork protection, restart and reversal, accomplished by separable functions in DNA binding and implied 5’ RAD51 filament capping. Collective findings establish CX3 as a cancer-relevant replication stress response complex, show how HDR-proficient variants could contribute to tumor development, and identify regions to aid functional testing and classification of cancer mutations.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1999

The Prospect for Remote Sensing of Cirrus Clouds with a Submillimeter-Wave Spectrometer

Given the substantial radiative effects of cirrus clouds and the need to validate cirrus cloud mass in climate models, it is important to measure the global distribution of cirrus properties with satellite remote sensing. Existing cirrus remote sensing techniques, such as solar reflectance methods, measure cirrus ice water path (IWP) rather indirectly and with limited accuracy. Submillimeter/wave radiometry is an independent method of cirrus remote sensing based on ice particles scattering the upwelling radiance emitted by the lower atmosphere. A new aircraft instrument, the Far Infrared Sensor for Cirrus (FIRSC), is described. The FIRSC employs a Fourier Transform Spectrometer (FTS). which measures the upwelling radiance across the whole submillimeter region (0.1 1.0-mm wavelength). This wide spectral coverage gives high sensitivity to most cirrus particle sizes and allows accurate determination of the characteristic particle size. Radiative transfer modeling is performed to analyze the capabilities of the submillimeter FTS technique. A linear inversion analysis is done to show that cirrus IWP, particle size, and upper-tropospheric temperature and water vapor may be accurately measured, A nonlinear statistical algorithm is developed using a database of 20000 spectra simulated by randomly varying most relevant cirrus and atmospheric parameters. An empirical orthogonal function analysis reduces the 500-point spectrum (20 - 70/cm) to 15 "pseudo-channels" that are then input to a neural network to retrieve cirrus IWP and median particle diameter. A Monte Carlo accuracy study is performed with simulated spectra having realistic noise. The retrieval errors are low for IWP (rms less than a factor of 1.5) and for particle sizes (rins less than 30%) for IWP greater than 5 g/sq m and a wide range of median particle sizes. This detailed modeling indicates that there is good potential to accurately measure cirrus properties with a submillimeter FTS.

Evans, K. Franklin↗

NASA NTRS1989

Geosat crossover analysis in the tropical Pacific. II - Verification analysis of altimetric sea level maps with expendable bathythermograph and island sea level data

Altimetric sea level time series for the tropical Pacific have been generated from the Geosat crossover differences during the classified era of the Geosat mission from April 1985 to September 1986. These are compared with the expendable bathythermograph (XBT)-derived dynamic height and island sea level observations, yielding good agreement. A complex empirical orthogonal function analysis is also applied to the altimetric and XBT results. The analysis demonstrates the dominance of the annual signal in this relatively short time series and the westward propagation of major features away from the equator.

Tai, Chang-Kou↗