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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Photoresponsive Rotaxanes Switch Lipid Bilayer Neuromorphic Behavior with Light

A rotaxane consisting of a macrocycle ring with two azobenzene units mechanically interlocked onto a bolaamphiphilic axle was incorporated into droplet interface bilayers (DIBs). The azobenzene groups on the ring underwent quasi-reversible, photoisomerization-induced cycling between 1-E and 1-Z configurations when irradiated with 370 and 467 nm light, respectively, enabling programmable access to different history-dependent electrical behaviors from the same membrane. In the 1-E configuration, bilayers exhibited type-IIactive memristance that coincided with increasingly elevated ionic conduction, associated with progressively enhanced bilayer permeability during voltage cycling. In the 1-Z configuration, bilayers displayed type-I, passive memcapacitive behavior, reflecting tighter lipid packing and reduced ionic permeability. Photoswitching also yielded a nonvolatile, photoresponsive memcapacitor that could be modulated repetitively with negligible loss, likely via reversible changes in membrane thickness. Concurrent ohmic leakage currents across the membrane were less than 0.3%. These results agree with previous studies with increasing membrane permeability using photoswitchable rotaxanes and provide new insights into the coupling between volatile and nonvolatile memcapacitance during photoisomerization. More broadly, they demonstrate a new strategy for the manipulation of neuromorphic behaviors in soft materials using light, with implications for brain-inspired computation and sensing.

droplet interface bilayers↗
DOE OSTI2016

Theoretical simulations on the antioxidant mechanism of naturally occurring flavonoid: A DFT approach

Synthetic antioxidants such as butylated hydroxyanisole (BHA) and butylated hydroxytoluene (BHT) are found to be toxic, hence non-carcinogenic naturally occurring radical scavengers especially flavonoids have gained considerable importance in the past two decades. In the present investigation, the radical scavenging activity of C-glycosyl flavonoids is evaluated using theoretical approach which could broaden its scope in therapeutic applications. Gas and solvent phase studies of structural and molecular characteristics of C-glycosyl flavonoid, isovitexin is investigated through hydrogen atom transfer mechanism (HAT), Electron transfer-proton transfer (ET–PT) and Sequential proton loss electron transfer (SPLET) by Density functional theory (DFT) using hybrid parameters. The computed values of the adiabatic ionization potential, electron affinity, hardness, softness, electronegativity and electrophilic index indicate that isovitexin possess good radical scavenging activity. The behavior of different –OH groups in polyphenolic compounds is assessed by considering electronic effects of the neighbouring groups and the overall geometry of molecule which in turn helps in analyzing the antioxidant capacity of the polyphenolic molecule. The studies indicate that the H–atom abstraction from 4’–OH site is preferred during the radical scavenging process. From Mulliken spin density analysis and FMOs, B–ring is found to be more delocalized center and capable of electron donation. Comparison of antioxidant activity of vitexin and isovitexin leads to the conclusion that isovitexin acts as a better radical scavenger. This is an evidence for the importance of position of glucose unit in the flavonoid.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2010

Improving the phenomenology of K{sub l3} form factors with analyticity and unitarity

The shape of the vector and scalar K{sub l3} form factors is investigated by exploiting analyticity and unitarity in a model-independent formalism. The method uses as input dispersion relations for certain correlators computed in perturbative QCD in the deep Euclidean region, soft-meson theorems, and experimental information on the phase and modulus of the form factors along the elastic part of the unitarity cut. We derive constraints on the coefficients of the parameterizations valid in the semileptonic range and on the truncation error. The method also predicts low-energy domains in the complex t plane where zeros of the form factors are excluded. The results are useful for K{sub l3} data analyses and provide theoretical underpinning for recent phenomenological dispersive representations for the form factors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

C -parameter distribution at N 3 LL ' including power corrections

We compute the e + e - C -parameter distribution using the soft-collinear effective theory with a resummation to next-to-next-to-next-to-leading-log prime accuracy of the most singular partonic terms. This includes the known fixed-order QCD results up to O (α$3\atop{s}$) , a numerical determination of the two-loop nonlogarithmic term of the soft function, and all logarithmic terms in the jet and soft functions up to three loops. Our result holds for C in the peak, tail, and far tail regions. Additionally, we treat hadronization effects using a field theoretic nonperturbative soft function, with moments Ω n . To eliminate an O (Λ QCD ) renormalon ambiguity in the soft function, we switch from the $\overline{MS}$ to a short distance “Rgap” scheme to define the leading power correction parameter Ω 1 . We show how to simultaneously account for running effects in Ω 1 due to renormalon subtractions and hadron-mass effects, enabling power correction universality between C -parameter and thrust to be tested in our setup. Finally, we discuss in detail the impact of resummation and renormalon subtractions on the convergence. In the relevant fit region for α s (m Z ) and Ω 1 , the perturbative uncertainty in our cross section is ≃ 2.5 % at Q = m Z .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Accelerated Nuclear Radiation Effects on the Raspberry Pi 3B+ and Pi 4

Raspberry Pi™ computers running Linux and embedded benchmarks are subjected to radiation testing in the neutron beam at LANSCE. The ARM® Cortex®-A53 in the Raspberry Pi 3B+ versus ARM® Cortex®-A72 in the Raspberry Pi 4, single-core versus multi-core, and small versus large array SBU cross sections are compared. Results for the A53 and the A72 are similar. The results of one process on one of four cores and four identical processes on four cores are presented. The results of the array size show that there is more going on than just an increase in size. Linux is helpful in relating some errors that would have been classified as SEFI to an upset in a single bit.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Quad-Port Transceivers For A Dual-CRR LAN

Quad-port fiber-optic transceivers demonstrated successfully as physical-layer interface units in WhisperNet - local-area network (LAN) of computers and other devices in communication with each other. Each node of Dual-CRR LAN contains quad-port transceiver serving four pairs of optical fibers. Quad-port transceiver consists of two dual-port transceivers and ancillary equipment in compact package. Transceiver serves as interface between optical fibers and external computing devices. Because of high reliability, availability and "fail-soft" nature, network well suited to military and critical commercial applications.

Wiencko, Joseph A., Jr.↗
NASA NTRS2012

Time-Domain Terahertz Computed Axial Tomography NDE System

NASA has identified the need for advanced non-destructive evaluation (NDE) methods to characterize aging and durability in aircraft materials to improve the safety of the nation's airline fleet. 3D THz tomography can play a major role in detection and characterization of flaws and degradation in aircraft materials, including Kevlar-based composites and Kevlar and Zylon fabric covers for soft-shell fan containment where aging and durability issues are critical. A prototype computed tomography (CT) time-domain (TD) THz imaging system has been used to generate 3D images of several test objects including a TUFI tile (a thermal protection system tile used on the Space Shuttle and possibly the Orion or similar capsules). This TUFI tile had simulated impact damage that was located and the depth of damage determined. The CT motion control gan try was designed and constructed, and then integrated with a T-Ray 4000 control unit and motion controller to create a complete CT TD-THz imaging system prototype. A data collection software script was developed that takes multiple z-axis slices in sequence and saves the data for batch processing. The data collection software was integrated with the ability to batch process the slice data with the CT TD-THz image reconstruction software. The time required to take a single CT slice was decreased from six minutes to approximately one minute by replacing the 320 ps, 100-Hz waveform acquisition system with an 80 ps, 1,000-Hz waveform acquisition system. The TD-THZ computed tomography system was built from pre-existing commercial off-the-shelf subsystems. A CT motion control gantry was constructed from COTS components that can handle larger samples. The motion control gantry allows inspection of sample sizes of up to approximately one cubic foot (.0.03 cubic meters). The system reduced to practice a CT-TDTHz system incorporating a COTS 80- ps/l-kHz waveform scanner. The incorporation of this scanner in the system allows acquisition of 3D slice data with better signal-to-noise using a COTS scanner rather than the gchirped h scanner. The system also reduced to practice a prototype for commercial CT systems for insulating materials where safety concerns cannot accommodate x-ray. A software script was written to automate the COTS software to collect and process TD-THz CT data.

Zimdars, David↗
DOE OSTI2019

DiagSoftfailure: Automated Soft-Failure Diagnostic Tool Using Machine Learning for Network Users

Network performance problems resulting in slow data communication speed become a significant obstacle for a satisfactory user experience. Currently, there is a lack of an automated diagnostic tool that can help network users to find the complicated network problems that degrade network performance. To fill up this gap, InfoBeyond proposes DiagSoftfailure to provide an automated diagnosis tool. DiagSoftfailure is a machine learning-based approach to infer the location and root cause of network failures that result in performance degradation. As a user-focused tool, it allows a network user to request a diagnosis. DiagSoftfailure can automatically collect the raw packet traces in the network. Base on the network signature, automated classifiers trained by combining supervised and semi-supervised machine learning is used to identify both known and unknown soft-failures in the network. A report allows novice and expert users to understand network problems for troubleshooting. In this document, we describe the DiagSoftfailure diagnosis algorithms and our experiments in a live high-speed network. DiagSoftfailure achieves 96.39% accuracy for known soft-failure diagnosis and 99.82% for unknown soft-failure diagnosis, respectively. Such results demonstrate that DiagSoftfailure is a viable technology. InfoBeyond would develop it as a marketable product that can be used by universities, Labs, DOE, government agencies, organizations, enterprises, and scientific communities to improve their network diagnosis capabilities.

42 ENGINEERING↗
DOE OSTI2021

Covariant phase space and soft factorization in non-Abelian gauge theories

We perform a careful study of the infrared sector of massless non-abelian gauge theories in four-dimensional Minkowski spacetime using the covariant phase space formalism, taking into account the boundary contributions arising from the gauge sector of the theory. Upon quantization, we show that the boundary contributions lead to an infinite degeneracy of the vacua. The Hilbert space of the vacuum sector is not only shown to be remarkably simple, but also universal. We derive a Ward identity that relates the n-point amplitude between two generic in- and out-vacuum states to the one computed in standard QFT. In addition, we demonstrate that the familiar single soft gluon theorem and multiple consecutive soft gluon theorem are consequences of the Ward identity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Integration of Soft Data Into Geostatistical Simulation of Categorical Variables

Uncertain or indirect “soft” data, such as geologic interpretation, driller’s logs, geophysical logs or imaging, offer potential constraints or “soft conditioning” to stochastic models of discrete categorical subsurface variables in hydrogeology such as hydrofacies. Previous bivariate geostatistical simulation algorithms have not fully addressed the impact of data uncertainty in formulation of the (co) kriging equations and the objective function in simulated annealing (or quenching). This paper introduces the geostatistical simulation code tsim-s, which accounts for categorical data uncertainty through a data “hardness” parameter. In generating geostatistical realizations with tsim-s, the uncertainty inherent to soft conditioning is factored into both 1) the data declustering and spatial correlation functions in cokriging and 2) the acceptance probability for change of category in simulated quenching. The degree or sensitivity to which soft data conditions a realization as a function of hardness can be quantified by mapping category probabilities derived from multiple realizations. In addition to point or borehole data, arrays of data (e.g., as derived from a depth-dependency function, probability map, or “prior realization”) can be used as soft conditioning. The tsim-s algorithm provides a theoretically sound and general framework for integrating datasets of variable location, resolution, and uncertainty into geostatistical simulation of categorical variables. A practical example shows how tsim-s is capable of generating a large-scale three-dimensional simulation including curvilinear features.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Adaptive scapula bone remodeling computational simulation: Relevance to regenerative medicine

Shoulder arthroplasty success has been attributed to many factors including, bone quality, soft tissue balancing, surgeon experience, and implant design. Improved long-term success is primarily limited by glenoid implant loosening. Prosthesis design examines materials and shape and determines whether the design should withstand a lifetime of use. Finite element (FE) analyses have been extensively used to study stresses and strains produced in implants and bone. However, these static analyses only measure a moment in time and not the adaptive response to the altered environment produced by the therapeutic intervention. Computational analyses that integrate remodeling rules predict how bone will respond over time. Recent work has shown that subject-specific two- and three dimensional adaptive bone remodeling models are feasible and valid. Feasibility and validation were achieved computationally, simulating bone remodeling using an intact human scapula, initially resetting the scapular bone material properties to be uniform, numerically simulating sequential loading, and comparing the bone remodeling simulation results to the actual scapula’s material properties. Three-dimensional scapula FE bone model was created using volumetric computed tomography images. Muscle and joint load and boundary conditions were applied based on values reported in the literature. Internal bone remodeling was based on element strain-energy density. Initially, all bone elements were assigned a homogeneous density. All loads were applied for 10 iterations. After every iteration, each bone element’s remodeling stimulus was compared to its corresponding reference stimulus and its material properties modified. The simulation achieved convergence. At the end of the simulation the predicted and actual specimen bone apparent density were plotted and compared. Location of high and low predicted bone density was comparable to the actual specimen. High predicted bone density was greater than actual specimen. Low predicted bone density was lower than actual specimen. Differences were probably due to applied muscle and joint reaction loads, boundary conditions, and values of constants used. Work is underway to study this. Nonetheless, the results demonstrate three dimensional bone remodeling simulation validity and potential. Such adaptive predictions take physiological bone remodeling simulations one step closer to reality. Computational analyses are needed that integrate biological remodeling rules and predict how bone will respond over time. We expect the combination of computational static stress analyses together with adaptive bone remodeling simulations to become effective tools for regenerative medicine research.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

CHIANTI-AN ATOMIC DATABASE FOR EMISSION LINES. XIII. SOFT X-RAY IMPROVEMENTS AND OTHER CHANGES

The CHIANTI spectral code consists of two parts: an atomic database and a suite of computer programs in Python and IDL. Together, they allow the calculation of the optically thin spectrum of astrophysical objects and provide spectroscopic plasma diagnostics for the analysis of astrophysical spectra. The database includes atomic energy levels, wavelengths, radiative transition probabilities, collision excitation rate coefficients, ionization, and recombination rate coefficients, as well as data to calculate free-free, free-bound, and two-photon continuum emission. Version 7.1 has been released, which includes improved data for several ions, recombination rates, and element abundances. In particular, it provides a large expansion of the CHIANTI models for key Fe ions from Fe VIII to Fe XIV to improve the predicted emission in the 50-170 A wavelength range. All data and programs are freely available at http://www.chiantidatabase.org and in SolarSoft, while the Python interface to CHIANTI can be found at http://chiantipy.sourceforge.net.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

BROADBAND EMISSION SPECTRA FROM THE CYGNUS X-3 JET IN THE SOFT SPECTRAL STATE

In order to understand the main observational characteristics of the Galactic X-ray binary Cygnus X-3, we propose a radiation model in which high-energy electrons accelerate in the dissipation zone of a jet and produce nonthermal broadband emissions. Broadband spectral energy distributions are computed to compare the AGILE and Fermi LAT data with the multi-band data during soft X-ray spectral states. By fitting observations at different locations of the jet, we find that the emission region is rather compact and should be located at a distance of about one orbital radius. Our results can explain the current multi-frequency observations and also predict the TeV band emission. The model could be tested by a polarization measurement at IR band, and/or by a correlation study between the GeV and TeV bands once very-high-energy observations are available.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Exploring the relation between transonic dislocation glide and stacking fault width in FCC metals

Theory predicts limiting gliding velocities that dislocations cannot overcome. Computational and recent experiments have shown that these limiting velocities are soft barriers and dislocations can reach transonic speeds in high rate plastic deformation scenarios. In this paper we systematically examine the mobility of edge and screw dislocations in several face centered cubic (FCC) metals (Al, Au, Pt, and Ni) in the extreme large-applied-stress regime using molecular dynamics simulations. Our results show that edge dislocations are more likely to move at transonic velocities due to their high mobility and lower limiting velocity than screw dislocations. Importantly, among the considered FCC metals, the dislocation core structure determines the dislocation’s ability to reach transonic velocities. This is likely due to the variation in stacking fault width due to relativistic effects near the limiting velocities.

36 MATERIALS SCIENCE↗
DOE OSTI2014

The relevance of MRI for patient modeling in head and neck hyperthermia treatment planning: A comparison of CT and CT-MRI based tissue segmentation on simulated temperature

Purpose: In current clinical practice, head and neck (H and N) hyperthermia treatment planning (HTP) is solely based on computed tomography (CT) images. Magnetic resonance imaging (MRI) provides superior soft-tissue contrast over CT. The purpose of the authors’ study is to investigate the relevance of using MRI in addition to CT for patient modeling in H and N HTP. Methods: CT and MRI scans were acquired for 11 patients in an immobilization mask. Three observers manually segmented on CT, MRI T1 weighted (MRI-T1w), and MRI T2 weighted (MRI-T2w) images the following thermo-sensitive tissues: cerebrum, cerebellum, brainstem, myelum, sclera, lens, vitreous humor, and the optical nerve. For these tissues that are used for patient modeling in H and N HTP, the interobserver variation of manual tissue segmentation in CT and MRI was quantified with the mean surface distance (MSD). Next, the authors compared the impact of CT and CT and MRI based patient models on the predicted temperatures. For each tissue, the modality was selected that led to the lowest observer variation and inserted this in the combined CT and MRI based patient model (CT and MRI), after a deformable image registration. In addition, a patient model with a detailed segmentation of brain tissues (including white matter, gray matter, and cerebrospinal fluid) was created (CT and MRI{sub db}). To quantify the relevance of MRI based segmentation for H and N HTP, the authors compared the predicted maximum temperatures in the segmented tissues (T{sub max}) and the corresponding specific absorption rate (SAR) of the patient models based on (1) CT, (2) CT and MRI, and (3) CT and MRI{sub db}. Results: In MRI, a similar or reduced interobserver variation was found compared to CT (maximum of median MSD in CT: 0.93 mm, MRI-T1w: 0.72 mm, MRI-T2w: 0.66 mm). Only for the optical nerve the interobserver variation is significantly lower in CT compared to MRI (median MSD in CT: 0.58 mm, MRI-T1w: 1.27 mm, MRI-T2w: 1.40 mm). Patient models based on CT (T{sub max}: 38.0 °C) and CT and MRI (T{sub max}: 38.1 °C) result in similar simulated temperatures, while CT and MRI{sub db} (T{sub max}: 38.5 °C) resulted in significantly higher temperatures. The SAR corresponding to these temperatures did not differ significantly. Conclusions: Although MR imaging reduces the interobserver variation in most tissues, it does not affect simulated local tissue temperatures. However, the improved soft-tissue contrast provided by MRI allows generating a detailed brain segmentation, which has a strong impact on the predicted local temperatures and hence may improve simulation guided hyperthermia.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2013

Transition micromagnetic structures in asymmetric vortexlike domain walls (Static solutions and dynamic reconstructions)

The possible types of transition structures with a three-dimensional magnetization distribution over regions in the vortex asymmetric domain walls that exist in magnetically uniaxial soft magnetic films with in-plane anisotropy are studied by computer simulation in terms of a micromagnetic approach. It is shown that the possible structure types include both the type of vertical Bloch lines that was discussed earlier in other works and new types, namely, singular (Bloch) points and clusters consisting of vertical Bloch lines and Bloch points. The spatial configurations of the transition structures are calculated and their topological properties are found. The numerical simulation of the dynamics of closely spaced substructure regions reveals various scenarios of their interaction, including annihilation accompanied by energy release and the excitation of nonlinear waves.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗