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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Direct processing of PbZr 0.53 Ti 0.47 O 3 films on glass and polymeric substrates

This work reports on direct crystallization of PbZr 0.53 Ti 0.47 O 3 (PZT) thin films on glass and polymeric substrates, using pulsed thermal processing (PTP). Specifically, xenon flash lamps deliver pulses of high intensity, short duration, broadband light to the surface of a chemical solution deposited thin film, resulting in the crystallization of the film. Structural analysis by X-ray diffraction (XRD) and transmission electron microscopy show the existence of perovskite structure in nano-sized grains (≤5 nm). Local functional analysis by band excitation piezoelectric spectroscopy and electrostatic force microscopy confirm the presence of a ferroelectric phase and retention of voltage-written polarization for multiple days. Based on structural and functional analyses, strategies are discussed for optimization of pulse voltage and duration for the realization of crystalline ferroelectric thin films. For ~200 nm-thick PZT films on glass substrates, 500 μs-long pulses were required for crystallization, starting with 100 pulses at 350 V, 10 or 25 pulses at 400 V and in general lower number of pulses at higher voltages (resulting in higher radiant energy). Overall power densities of >6.4 kW/cm 2 were needed for appearance of peaks corresponding to the perovskite phase in the XRD. Films on glass processed at 350–400 V had a higher degree of 111-oriented perovskite grains. Higher applied radiant energy (through increased pulse voltage or count) resulted in more random and/or partially 001-oriented films. For ~1 μm-thick PZT films on polymeric substrates, 10 to 25 250 μs-long pulses at voltages ranging between 200 to 250 V, corresponding to power densities of ~2.8 kW/cm 2 , were optimal for maximized perovskite phase crystallization, while avoiding substrate damage.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Thermodynamic and kinetic characterization of hydroxyethylamine β-secretase-1 inhibitors

Highlights: •Kinetic and thermodynamic characterization of 10 hydroxyethylamine BACE-1 inhibitors. •Equilibrium binding of inhibitors was enthalpy driven for BACE-1. •Negative entropy of binding was observed towards BACE-1, but not Cathepsin-D. •Structural analysis demonstrates ligand binding induces a major conformational change. •Structural analysis and SPR analysis corroborate induced fit and negative entropy of binding. -- Abstract: Alzheimer’s disease (AD) is a devastating neurodegenerative disease affecting millions of people. β-Secretase-1 (BACE-1), an enzyme involved in the processing of the amyloid precursor protein (APP) to form Aβ, is a well validated target for AD. Herein, the authors characterize 10 randomly selected hydroxyethylamine (HEA) BACE-1 inhibitors in terms of their association and dissociation rate constants and thermodynamics of binding using surface plasmon resonance (SPR). Rate constants of association (k{sub a}) measured at 25 °C ranged from a low of 2.42 × 10{sup 4} M{sup −1} s{sup −1} to the highest value of 8.3 × 10{sup 5} M{sup −1} s{sup −1}. Rate constants of dissociation (k{sub d}) ranged from 1.09 × 10{sup −4} s{sup −1} (corresponding to a residence time of close to three hours), to the fastest of 0.028 s{sup −1}. Three compounds were selected for further thermodynamic analysis where it was shown that equilibrium binding was enthalpy driven while unfavorable entropy of binding was observed. Structural analysis revealed that upon ligand binding, the BACE-1flap folds down over the bound ligand causing an induced fit. The maximal difference between alpha carbon positions in the open and closed conformations of the flap was over 5 Å. Thus the negative entropy of binding determined using SPR analysis was consistent with an induced fit observed by structural analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Resolution of 100 photons and quantum generation of unbiased random numbers

Macroscopic quantum phenomena, such as observed in superfluids and superconductors, have led to promising technological advancements and some of the most important tests of fundamental physics. At present, quantum detection of light is mostly relegated to the microscale, where avalanche photodiodes are very sensitive to distinguishing single-photon events from vacuum but cannot differentiate between larger photon-number events. Beyond this, the ability to perform measurements to resolve photon numbers is highly desirable for a variety of quantum information applications including computation, sensing, and cryptography. True photon-number resolving detectors do exist, but they are currently limited to the ability to resolve on the order of 10 photons, which is too small for certain proposals. In this work, we extend photon measurement into the mesoscopic regime by implementing a detection scheme based on multiplexing highly quantum-efficient transition-edge sensors to accurately resolve photon numbers between zero and 100. Further, we then demonstrate the use of our system by implementing a quantum random number generator with no inherent bias. This method is based on sampling a coherent state in the photon-number basis and is robust against environmental noise, phase and amplitude fluctuations in the laser, loss and detector inefficiency as well as eavesdropping. Beyond true random number generation, our detection scheme serves as a means to implement quantum measurement and engineering techniques valuable for photonic quantum information processing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Electric dipole excitations near the neutron separation energies in 96 Mo

Electric dipole strength near the neutron separation energy significantly impacts nuclear structure properties and astrophysical scenarios. These excitations are complex in nature and may involve the so-called pygmy dipole resonance (PDR). Transition densities play a crucial role in understanding the nature of nuclear excited states, including collective excitations, as well as in constructing transition potentials in DWBA or coupled-channels equations. In this work, we focus on electric dipole excitations in spherical molybdenum isotopes, particularly 96 Mo, employing fully consistent Hartree-Fock-Bogoliubov (HFB) and Quasiparticle Random Phase Approximation (QRPA) methods. We analyze the dipole strength near the neutron separation energy, which represents the threshold for neutron capture processes, and examine the isospin characteristics of PDR states through transition density calculations. Examination of proton and neutron transition densities reveals distinctive features of each dipole state, indicating their isoscalar and isovector nature. We observe that the primary component in the enhanced low-energy region exhibits isovector character. The PDR displays a mixture of isoscalar and isovector nature, distinguishing it from the isovector giant dipole resonance (IVGDR). These findings lay the groundwork for future investigations into the role of transition densities in reaction models and for their application to inelastic scattering calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

BEOL compatible high tunnel magneto resistance perpendicular magnetic tunnel junctions using a sacrificial Mg layer as CoFeB free layer cap

Perpendicularly magnetized MgO-based tunnel junctions are envisaged for future generation spin-torque transfer magnetoresistive random access memory devices. Achieving a high tunnel magneto resistance and preserving it together with the perpendicular magnetic anisotropy during BEOL CMOS processing are key challenges to overcome. The industry standard technique to deposit the CoFeB/MgO/CoFeB tunnel junctions is physical vapor deposition. In this letter, we report on the use of an ultrathin Mg layer as free layer cap to protect the CoFeB free layer from sputtering induced damage during the Ta electrode deposition. When Ta is deposited directly on CoFeB, a fraction of the surface of the CoFeB is sputtered even when Ta is deposited with very low deposition rates. When depositing a thin Mg layer prior to Ta deposition, the sputtering of CoFeB is prevented. The ultra-thin Mg layer is sputtered completely after Ta deposition. Therefore, the Mg acts as a sacrificial layer that protects the CoFeB from sputter-induced damage during the Ta deposition. The Ta-capped CoFeB free layer using the sacrificial Mg interlayer has significantly better electrical and magnetic properties than the equivalent stack without protective layer. We demonstrate a tunnel magneto resistance increase up to 30% in bottom pinned magnetic tunnel junctions and tunnel magneto resistance values of 160% at resistance area product of 5 Ω.μm{sup 2}. Moreover, the free layer maintains perpendicular magnetic anisotropy after 400 °C annealing.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Generation of quasi-monoenergetic protons from a double-species target driven by the radiation pressure of an ultraintense laser pulse

In laser-driven proton acceleration, generation of quasi-monoenergetic proton beams has been considered a crucial feature of the radiation pressure acceleration (RPA) scheme, but the required difficult physical conditions have hampered its experimental realization. As a method to generate quasi-monoenergetic protons under experimentally viable conditions, we investigated using double-species targets of controlled composition ratio in order to make protons bunched in the phase space in the RPA scheme. From a modified optimum condition and three-dimensional particle-in-cell simulations, we showed by varying the ion composition ratio of proton and carbon that quasi-monoenergetic protons could be generated from ultrathin plane targets irradiated with a circularly polarized Gaussian laser pulse. The proposed scheme should facilitate the experimental realization of ultrashort quasi-monoenergetic proton beams for unique applications in high field science.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Imaging the crust and uppermost mantle structure of Portugal (West Iberia) with seismic ambient noise

SUMMARY We present a new high-resolution 3-D shear wave velocity (Vs) model of the crust and uppermost mantle beneath Portugal, inferred from ambient seismic noise tomography. We use broad-band seismic data from a dense temporary deployment covering the entire Portuguese mainland between 2010 and 2012 in the scope of the WILAS project. Vertical component data are processed using phase correlation and phase weighted stack to obtain empirical Green functions (EGFs) for 2016 station pairs. Further, we use a random sampling and subset stacking strategy to measure robust Rayleigh-wave group velocities in the period range 7–30 s and associated uncertainties. The tomographic inversion is performed in two steps: First, we determine group-velocity lateral variations for each period. Next, we invert them at each grid point using a new trans-dimensional inversion scheme to obtain the 3-D shear wave velocity model. The final 3-D model extends from the upper crust (5 km) down to the uppermost mantle (60 km) and has a lateral resolution of ∼50 km. In the upper and middle crusts, the Vs anomaly pattern matches the tectonic units of the Variscan Massif and Alpine basins. The transition between the Lusitanian Basin and the Ossa Morena Zone is marked by a contrast between moderate- and high-velocity anomalies, in addition to two arched earthquake lineations. Some faults, namely, the Manteigas–Vilariça–Bragança fault and the Porto–Tomar–Ferreira do Alentejo fault, have a clear signature from the upper crust down to the uppermost mantle (60 km). Our 3-D shear wave velocity model offers new insights into the continuation of the main tectonic units at depth and contributes to better understanding the seismicity of Portugal.

Silveira, Graça (ORCID:0000000221102554)↗
DOE OSTI2021

Skip-Connected Self-Recurrent Spiking Neural Networks with Joint Intrinsic Parameter and Synaptic Weight Training

As an important class of spiking neural networks (SNNs), recurrent spiking neural networks (RSNNs) possess great computational power and have been widely used for processing sequential data like audio and text. However, most RSNNs suffer from two problems. 1. Due to the lack of architectural guidance, random recurrent connectivity is often adopted, which does not guarantee good performance. 2. Training of RSNNs is in general challenging, bottlenecking achievable model accuracy. To address these problems, we propose a new type of RSNNs called Skip-Connected Self-Recurrent SNNs (ScSr-SNNs). Recurrence in ScSr-SNNs is introduced in a stereotyped manner by adding self-recurrent connections to spiking neurons. The SNNs with self-recurrent connections can realize recurrent behaviors similar to those of more complex RSNNs while the error gradients can be more straightforwardly calculated due to the mostly feedforward nature of the network. The network dynamics is enriched by skip connections between nonadjacent layers. Moreover, we propose a new backpropagation (BP) method called backpropagated intrinsic plasticity (BIP) to further boost the performance of ScSr-SNNs by training intrinsic model parameters. Unlike standard intrinsic plasticity rules that adjust the neuron's intrinsic parameters according to neuronal activity, the proposed BIP method optimizes intrinsic parameters based on the backpropagated error gradient of a well-defined global loss function in addition to synaptic weight training. Here, based on challenging speech, neuromorphic speech, and neuromorphic image datasets, the proposed ScSr-SNNs can boost performance by up to 2.85% compared with other types of RSNNs trained by state-of-the-art BP methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

High-Dimensional Spectral Sampling

A wide variety of applications in science and engineering depend on effectively and efficiently exploring high- dimensional parameter spaces. Common examples are uncertainty quantification, inverse problems, or various optimization approaches. In such applications, the first step is to create an initial uniform, random sampling of the space to create a baseline of knowledge. The simulations evaluated at these samples are then used for subsequent processing. In its most generic form, the goal of sampling is to produce the maximal amount of information with the minimal number of samples. However, despite being the first step and thus influencing the performance of the entire workflow, the quality of the initial sample designs is rarely analyzed or optimized. This project develops a new spectral sampling theory for analyzing and creating experiment designs in high-dimensional spaces. Further, new algorithms for estimating sample properties and sample synthesis are designed. Finally, applications of the proposed spectral sampling tools in surrogate modeling, scientific machine learning and image analysis are presented.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Dynamic Behavior of Natural Seep Vents: Analysis of Field and Laboratory Observations and Modeling (Final Scientific/Technical Report)

In this project, we have analyzed data collected by the U.S. Department of Energy (DOE), National Energy Technology Laboratory (NETL) in a high pressure water tunnel (HPWT) and data from two research cruises to natural seeps in the Gulf of Mexico to adapt and validate a numerical model to predict the dynamics of natural seeps in the deep oceans. The HPWT data include video observations of the shrinkage rate of individual methane and natural gas bubbles under simulated deep-water conditions. Field data were collected during two cruises by the Gulf Integrated Spill Research (GISR) Consortium led by Texas A&M University and funded by the Gulf of Mexico Research Initiative (GoMRI). These data included in situ observations from a remotely operated vehicle (ROV) of gas bubbles at two natural seep sites in the Gulf and acoustic observations of the natural seep bubble flares in the ocean water column. The acoustic data were from multibeam echosounders, one mounted in a forward-looking orientation on the ROV and another mounted down-looking in the haul of the ship. All of these laboratory and field data were focused on the dynamics of natural gas bubbles at temperatures and pressures favorable for clathrate hydrate formation between the gas and water. Our analyses of this data focused on understanding the mechanisms responsible for gas bubble dissolution within the hydrate stability zone (HSZ) of the oceans. Ice-like hydrate shells may form on the bubble-water interface under these conditions, and it was unknown how this might affect the mass transfer of gas into the ocean. We were able to extract bubble shrinkage rates from the HPWT datasets. Using this data we determined that mass transfer coefficients with and without a hydrate shell match empirical values for bubbles in contaminated systems (so-called dirty bubbles contaminated by naturally occurring surfactants). We also showed that free gas, and not gas hydrate, is the dominant dissolving phase when the hydrate sub-cooling is below 11 degree Celsius (temperature difference between hydrate the hydrate formation temperature and ambient temperator) or the pressure is reducing as bubbles rise through the ocean water column. Using this mass transfer model, our numerical model of bubble dissolution matched the over 200 HPWT experiments with an average error of 10% for predicting the bubble size at the end of an experiment. From field data in the literature, we also observed that gas bubbles dissolve faster when they are initially released, following mass transfer coefficients for so-called clean-bubbles (those not yet contaminated by surfactants). Shortly after release within the HSZ, a hydrate shell forms on the bubble-water interface, and the mass transfer reduces to rates matching those of dirty bubbles. We correlated this transition time from clean to dirty bubble behavior with the initial bubble surface area and the hydrate sub-cooling. With this model for hydrate formation time and using the mass transfer coefficients deduced from the HPWT data, we validated our numerical model for predicting the rise heights of natural seep flares in the oceans. Flare heights are commonly observed in haul-mounted acoustic multibeam data. The numerical model predicts bubbles to rise high in the ocean water column owing to the slower mass transfer rates for dirty bubbles that accompany the majority of their rise time. We found that the numerical model predictions matched the observed flare heights within 5% to 10% accuracy when we compared the rise heights of the largest bubbles released from the seafloor with the bubbles acoustically visible in the multibeam data. Bubbles become acoustically transparent as they shrink to sizes of order 1 mm in diameter for the multibeam frequencies used in the field. The forward-looking multibeam on the ROV also provided data on the lateral spreading of bubbles in natural seep flares. Our analysis of this data showed that spreading follows a diffusion process, with the effective diffusivity correlating with the wobbling length scale of these ellipsoidal bubbles. When we apply this diffusivity in a random displacement model of bubble spreading, our numerical simulations match closely the lateral spread observed by the M3 in the ocean water column. Finally, we compared the seep model predictions for the acoustic properties of these natural seep plumes with that observed by the acoustic instruments in the field. The M3 and EM 302 observations were converted to relative values of target strength using a calibration we obtained in the laboratory for the M3 and using an algorithm from the manufacturer for the EM 302. Comparing the numerical seep model to these data, we obtain good agreement over the whole height of rise of these bubble flares. This further validates the numerical model. Overall, our validated seep model captures the key dynamics of gas bubbles released from natural seeps in the oceans and helps to predict the fate of methane in the water column.

03 NATURAL GAS↗
NASA NTRS1986

Spatial modelling of total storm rainfall

The spatial structure of the depth of rainfall from a stationary storm event is investigated by using point process techniques. Cells are assumed to be stationary and to be distributed in space either independently according to a Poisson process, or with clustering according to a Neyman-Scott scheme. Total storm rainfall at the centre of each cell is a random variable and rainfall is distributed around the centre in a way specified by a spread function that may incorporate random parameters. The mean, variance and covariance structure of the precipitation depth at a point are obtained for different spread functions. For exponentially distributed centre depth and a spread function having quadratically exponential decay, the total storm depth at any point in the field is shown to have a gamma distribution. The probability of zero rainfall at a point is investigated, as is the stochastic variability of model parameters from storm to storm. Data from the Upper Rio Guaire basin in Venezuela are used in illustration.

Rodriguez-Iturbe, I.↗
NASA NTRS1989

A further study of cumulus interactions and mergers - Three-dimensional simulations with trajectory analysis

Cumulus processes involved in the interaction and merging of clouds under the influence of different imposed conditions (including large-scale lifting forcing, environmental wind shear, and cloud microphysical processes) were studied using simulations with a three-dimensional model. The design of the study was to generate several convective clouds randomly inside the model domain, and then to observe and analyze the interactions and merging between the simulated clouds. Ten merged clouds were identified. Seven of these, each involving two previously separated clouds, generally lie along a line parallel to the initial environmental wind shear vector, while one (also a two-cloud system) lies along a line perpendicular to the wind shear vector prior to merging. The remaining two merging systems involve three parent clouds each; they are a combination of parallel and perpendicular cells. The merging mechanisms associated with three-cloud merging cases are studied by examining the temperature, pressure, and wind fields prior to, during, and following the merging.

Tao, Wei-Kuo↗
NASA NTRS1991

Effect of chemical kinetics uncertainties on calculated constituents in a tropospheric photochemical model

Random photochemical reaction rates are employed in a 1D photochemical model to examine uncertainties in tropospheric concentrations and thereby determine critical kinetic processes and significant correlations. Monte Carlo computations are used to simulate different chemical environments and their related imprecisions. The most critical processes are the primary photodissociation of O3 (which initiates ozone destruction) and NO2 (which initiates ozone formation), and the OH/methane reaction is significant. Several correlations and anticorrelations between species are discussed, and the ozone/transient OH correlation is examined in detail. One important result of the modeling is that estimates of global OH are generally about 25 percent uncertain, limiting the precision of photochemical models. Techniques for reducing the imprecision are discussed which emphasize the use of species and radical species measurements.

Thompson, Anne M.↗
NASA NTRSDate not supplied

Variational Coupled Loads Analysis using the Hybrid Parametric Variation Method

Time-domain coupled loads analysis (CLA)is used to determine the response of a launch vehicle and payload system to transient forces, such as liftoff, engine ignitions and shutdowns, jettison events, and atmospheric flight loads, such as buffet. CLA, using Hurty/Craig-Bampton (HCB)component models, is the accepted method for the establishment of design-level loads for launch systems. However, uncertainty in the component models flows into uncertainty in predicted system results. Uncertainty in the structural responses during launch is a significant concern because small variations in launch vehicle and payload mode shapes and their interactions can result in significant variations in system loads. Uncertainty quantification (UQ)is used to determine statistical bounds on prediction accuracy based on model uncertainty. In this paper uncertainty is treated at the HCB component-model level. In an effort to account for model uncertainties and statistically bound their effect on CLA predictions, this work combines CLA with UQ in a process termed variational coupled loads analysis (VCLA). The modeling of uncertainty using a parametric approach, in which input parameters are represented by random variables, is common, but its major drawback is the resulting uncertainty is limited to the form of the nominal model. Uncertainty in model form is one of the biggest contributors to uncertainty in complex built-up structures. Model-form uncertainty can be represented using a nonparametric approach based on random matrix theory (RMT). In this work, UQ is performed using the hybrid parametric variation (HPV)method, which combines parametric with nonparametric uncertainty at the HCB component model level. The HPV method requires the selection of dispersion values for the HCB fixed-interface (FI)eigenvalues, and the HCB mass and stiffness matrices. The dispersions are based upon component test-analysis modal correlation results. During VCLA, random component models are assembled into an ensemble of random systems using a Monte Carlo (MC)approach. CLA is applied to each of the ensemble members to produce an ensemble of system-level responses for statistical analysis. The proposed methodology is demonstrated through its application to a buffet loads analysis of NASA’s Space Launch System (SLS)during the transonic regime fifty seconds after liftoff. Core stage (CS)section shears and moments are recovered, and statistics are computed.

Uncertainty Quantification↗
NASA NTRS1995

A Novel Photonic Clock and Carrier Recovery Device

In high-speed fiber-optic communications systems, the ability to recover the clock from the incoming random data is essential. The recovered clock must be in precise synchronism with the incoming data and is used in further signal processing systems, such as regenerative repeaters, time division switching systems, and demultiplexers. A high-speed photonic clock regenerator is described.

photonic↗
DOE OSTI2013

Paging memory from random access memory to backing storage in a parallel computer

Paging memory from random access memory (`RAM`) to backing storage in a parallel computer that includes a plurality of compute nodes, including: executing a data processing application on a virtual machine operating system in a virtual machine on a first compute node; providing, by a second compute node, backing storage for the contents of RAM on the first compute node; and swapping, by the virtual machine operating system in the virtual machine on the first compute node, a page of memory from RAM on the first compute node to the backing storage on the second compute node.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1989

Theoretical models for polarimetric microwave remote sensing of earth terrain

Using the two-layer anisotropic random medium, a mathematically rigorous, fully polarimetric model is developed to compute the Mueller and covariance matrices in the backscattering direction for various kinds of earth terrain. The electric field is first written in the form of an integral equation involving the unperturbed dyadic Green's function in the absence of the permittivity fluctuations. The integral equation is then solved by an iterative series known as the Born series. With only the first term of the series, which physically describes a single scattering process, the fully polarimetric backscattering coefficients are derived. Four different kinds of upgoing and downgoing waves exist due to the excitation of both ordinary and extraordinary waves in the anisotropic random medium. An averaging scheme over the azimuthal direction is used to simulate the effects on the radar backscattering due to the azimuthal randomness in the growth direction of leaves in tree and grass fields.

Borgeaud, M.↗
DOE OSTI2013

Magnetohydrodynamic study for three-dimensional instability of the Petschek type magnetic reconnection

The 3D instability of the spontaneous fast magnetic reconnection process is studied with magnetohydrodynamics (MHD) simulations, where the 2D model of the spontaneous fast magnetic reconnection is destabilized in three dimension. As well known in many 2D numerical MHD studies, when a 1D current sheet is destabilized with the current-driven anomalous resistivity, the 2D Petschek type fast magnetic reconnection is established. This paper shows that the 2D Petschek type fast magnetic reconnection can be destabilized in three dimension by an initial resistive disturbance which includes a weak fluctuation in the sheet current direction, i.e., along the magnetic neutral line. The resulting 3D fast magnetic reconnection finally becomes intermittent and random through a 3D instability. In addition, it is also shown that the 3D instability is suppressed by the uniform resistivity. It suggests that the 3D instability is caused in the Petschek-type reconnection process which is characterized by a strongly localized magnetic diffusion region and the slow shock acceleration of the plasma jets and is suppressed in the Sweet-Parker type reconnection process.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗