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At least 1,117 records · Page 62

The UW digital ozonesonde: Characteristics and flow rate calibration

During the austral springs of 1986 and 1987, a series of balloon soundings were conducted to characterize the temporal and vertical development of Antarctic ozone depletion using the electrochemical concentration cell method (ECC). An important part of this study was to perform correlative studies between ozone and aerosol particles. In order to facilitate these simultaneous measurements, a digital ozonesonde system was developed to interface with aerosol counters. The ozone measurements will be described herein. The ozonesonde modification was accomplished by converting the current output of the sonde to a frequency and adding this digital signal to the serial data stream of a Vaisala Corporation RS-80 radiosonde under microprocessor control. A number of advantages over the standard ozonesonde system currently in use are noted.

Harder, J. W.↗

Quantitative Mapping of Nanoscale Chemical Dynamics in Sub-sampled Operando (S)TEM Images Using Spatio-Temporal Analytics

One of the main limitations in the use of operando scanning transmission electron microscopes to study dynamic chemical processes is the effect of the electron beam on the kinetics of the reaction being observed. Here we demonstrate that a flexible Gaussian mixture model can be used to extract quantitative information directly from sub-sampled images, i.e.~images where not all the pixels in the image are illuminated with the beam. The use of this method is demonstrated for the charge/discharge cycle of a Li-battery, where the deposition and dissolution of Li at the anode can be accurately quantified for sub-sampling levels down to 1%. Performing operando imaging using a small fraction of the pixels means that the observations can significantly reduce the effect of the beam, automatically increase the imaging speed and decrease the total data transfer rate required. Such new software capabilities offer the potential to significantly widen the application of operando hardware approaches to study nanoscale dynamics in materials.

Stanfill, Bryan A.↗

A global reaction route mapping-based kinetic Monte Carlo algorithm

We propose a new on-the-fly kinetic Monte Carlo (KMC) method that is based on exhaustive potential energy surface searching carried out with the global reaction route mapping (GRRM) algorithm. Starting from any given equilibrium state, this GRRM-KMC algorithm performs a one-step GRRM search to identify all surrounding transition states. Intrinsic reaction coordinate pathways are then calculated to identify potential subsequent equilibrium states. Harmonic transition state theory is used to calculate rate constants for all potential pathways, before a standard KMC accept/reject selection is performed. The selected pathway is then used to propagate the system forward in time, which is calculated on the basis of 1st order kinetics. The GRRM-KMC algorithm is validated here in two challenging contexts: intramolecular proton transfer in malonaldehyde and surface carbon diffusion on an iron nanoparticle. We demonstrate that in both cases the GRRM-KMC method is capable of reproducing the 1st order kinetics observed during independent quantum chemical molecular dynamics simulations using the density-functional tight-binding potential.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Reconfigurable Control with Neural Network Augmentation for a Modified F-15 Aircraft

Description of the performance of a simplified dynamic inversion controller with neural network augmentation follows. Simulation studies focus on the results with and without neural network adaptation through the use of an F-15 aircraft simulator that has been modified to include canards. Simulated control law performance with a surface failure, in addition to an aerodynamic failure, is presented. The aircraft, with adaptation, attempts to minimize the inertial cross-coupling effect of the failure (a control derivative anomaly associated with a jammed control surface). The dynamic inversion controller calculates necessary surface commands to achieve desired rates. The dynamic inversion controller uses approximate short period and roll axis dynamics. The yaw axis controller is a sideslip rate command system. Methods are described to reduce the cross-coupling effect and maintain adequate tracking errors for control surface failures. The aerodynamic failure destabilizes the pitching moment due to angle of attack. The results show that control of the aircraft with the neural networks is easier (more damped) than without the neural networks. Simulation results show neural network augmentation of the controller improves performance with aerodynamic and control surface failures in terms of tracking error and cross-coupling reduction.

Burken, John J.↗

Adaptive Control Using Neural Network Augmentation for a Modified F-15 Aircraft

Description of the performance of a simplified dynamic inversion controller with neural network augmentation follows. Simulation studies focus on the results with and without neural network adaptation through the use of an F-15 aircraft simulator that has been modified to include canards. Simulated control law performance with a surface failure, in addition to an aerodynamic failure, is presented. The aircraft, with adaptation, attempts to minimize the inertial cross-coupling effect of the failure (a control derivative anomaly associated with a jammed control surface). The dynamic inversion controller calculates necessary surface commands to achieve desired rates. The dynamic inversion controller uses approximate short period and roll axis dynamics. The yaw axis controller is a sideslip rate command system. Methods are described to reduce the cross-coupling effect and maintain adequate tracking errors for control surface failures. The aerodynamic failure destabilizes the pitching moment due to angle of attack. The results show that control of the aircraft with the neural networks is easier (more damped) than without the neural networks. Simulation results show neural network augmentation of the controller improves performance with aerodynamic and control surface failures in terms of tracking error and cross-coupling reduction.

Burken, John J.↗

Certification of ICI 1012 optical data storage tape

ICI has developed a unique and novel method of certifying a Terabyte optical tape. The tape quality is guaranteed as a statistical upper limit on the probability of uncorrectable errors. This is called the Corrected Byte Error Rate or CBER. We developed this probabilistic method because of two reasons why error rate cannot be measured directly. Firstly, written data is indelible, so one cannot employ write/read tests such as used for magnetic tape. Secondly, the anticipated error rates need impractically large samples to measure accurately. For example, a rate of 1E-12 implies only one byte in error per tape. The archivability of ICI 1012 Data Storage Tape in general is well characterized and understood. Nevertheless, customers expect performance guarantees to be supported by test results on individual tapes. In particular, they need assurance that data is retrievable after decades in archive. This paper describes the mathematical basis, measurement apparatus and applicability of the certification method.

Howell, J. M.↗

Application of p-Multigrid to Discontinuous Galerkin Formulations of the Poisson Equation

We investigate p-multigrid as a solution method for several different discontinuous Galerkin (DG) formulations of the Poisson equation. Different combinations of relaxation schemes and basis sets have been combined with the DG formulations to find the best performing combination. The damping factors of the schemes have been determined using Fourier analysis for both one and two-dimensional problems. One important finding is that when using DG formulations, the standard approach of forming the coarse p matrices separately for each level of multigrid is often unstable. To ensure stability the coarse p matrices must be constructed from the fine grid matrices using algebraic multigrid techniques. Of the relaxation schemes, we find that the combination of Jacobi relaxation with the spectral element basis is fairly effective. The results using this combination are p sensitive in both one and two dimensions, but reasonable convergence rates can still be achieved for moderate values of p and isotropic meshes. A competitive alternative is a block Gauss-Seidel relaxation. This actually out performs a more expensive line relaxation when the mesh is isotropic. When the mesh becomes highly anisotropic, the implicit line method and the Gauss-Seidel implicit line method are the only effective schemes. Adding the Gauss-Seidel terms to the implicit line method gives a significant improvement over the line relaxation method.

Helenbrook, B. T.↗

Heart Rate Response During Mission-Critical Tasks After Space Flight

Adaptation to microgravity could impair crewmembers? ability to perform required tasks upon entry into a gravity environment, such as return to Earth, or during extraterrestrial exploration. Historically, data have been collected in a controlled testing environment, but it is unclear whether these physiologic measures result in changes in functional performance. NASA?s Functional Task Test (FTT) aims to investigate whether adaptation to microgravity increases physiologic stress and impairs performance during mission-critical tasks. PURPOSE: To determine whether the well-accepted postflight tachycardia observed during standard laboratory tests also would be observed during simulations of mission-critical tasks during and after recovery from short-duration spaceflight. METHODS: Five astronauts participated in the FTT 30 days before launch, on landing day, and 1, 6, and 30 days after landing. Mean heart rate (HR) was measured during 5 simulations of mission-critical tasks: rising from (1) a chair or (2) recumbent seated position followed by walking through an obstacle course (egress from a space vehicle), (3) translating graduated masses from one location to another (geological sample collection), (4) walking on a treadmill at 6.4 km/h (ambulation on planetary surface), and (5) climbing 40 steps on a passive treadmill ladder (ingress to lander). For tasks 1, 2, 3, and 5, astronauts were encouraged to complete the task as quickly as possible. Time to complete tasks and mean HR during each task were analyzed using repeated measures ANOVA and ANCOVA respectively, in which task duration was a covariate. RESULTS: Landing day HR was higher (P < 0.05) than preflight during the upright seat egress (7%+/-3), treadmill walk (13%+/-3) and ladder climb (10%+/-4), and HR remained elevated during the treadmill walk 1 day after landing. During tasks in which HR was not elevated on landing day, task duration was significantly greater on landing day (recumbent seat egress: 25%+/-14 and mass translation: 26%+/-12; P < 0.05). CONCLUSION: Elevated HR and increased task duration during postflight simulations of mission-critical tasks is suggestive of spaceflight-induced deconditioning. Following short-duration microgravity missions (< 16 d), work performance may be transiently impaired, but recovery is rapid.

Arzeno, Natalia M.↗

Uniformly dispersed FeO x atomic clusters by pulsed arc plasma deposition: An efficient electrocatalyst for improving the performance of Li–O2 battery

The present study aims to explore a new method to improve the catalytic activity of non-precious metals, especially in electrochemical reactions. In this study, highly ionized Fe plasma produced by arc discharge uniformly deposit on porous carbon substrate and form atomic clusters by the Pulsed Arc Plasma Deposition technique. The as-prepared FeOx/C material was tested as a cathode material in rechargeable Li-O2 battery under different current rates. The results show a significantly improvement of the battery performance in both cycle life and reaction rate. Furthermore, XRD and SEM results show that the as-prepared cathode material has the ability to stabilize cathode and reduce side reactions, and current rate is a critical factor of the nucleation of the discharge products.

electrocatalyst↗

PROBING THE EXPANSION HISTORY OF THE UNIVERSE BY MODEL-INDEPENDENT RECONSTRUCTION FROM SUPERNOVAE AND GAMMA-RAY BURST MEASUREMENTS

To probe the late evolution history of the universe, we adopt two kinds of optimal basis systems. One of them is constructed by performing the principle component analysis, and the other is built by taking the multidimensional scaling approach. Cosmological observables such as the luminosity distance can be decomposed into these basis systems. These basis systems are optimized for different kinds of cosmological models that are based on different physical assumptions, even for a mixture model of them. Therefore, the so-called feature space that is projected from the basis systems is cosmological model independent, and it provides a parameterization for studying and reconstructing the Hubble expansion rate from the supernova luminosity distance and even gamma-ray burst (GRB) data with self-calibration. The circular problem when using GRBs as cosmological candles is naturally eliminated in this procedure. By using the Levenberg–Marquardt technique and the Markov Chain Monte Carlo method, we perform an observational constraint on this kind of parameterization. The data we used include the “joint light-curve analysis” data set that consists of 740 Type Ia supernovae and 109 long GRBs with the well-known Amati relation.

79 ASTRONOMY AND ASTROPHYSICS↗

A HUBBLE DIAGRAM FROM TYPE II SUPERNOVAE BASED SOLELY ON PHOTOMETRY: THE PHOTOMETRIC COLOR METHOD

We present a Hubble diagram of SNe II using corrected magnitudes derived only from photometry, with no input of spectral information. We use a data set from the Carnegie Supernovae Project I for which optical and near-infrared light curves were obtained. The apparent magnitude is corrected by two observables, one corresponding to the slope of the plateau in the V band and the second a color term. We obtain a dispersion of 0.44 mag using a combination of the (V − i) color and the r band and we are able to reduce the dispersion to 0.39 mag using our golden sample. A comparison of our photometric color method (PCM) with the standardized candle method (SCM) is also performed. The dispersion obtained for the SCM (which uses both photometric and spectroscopic information) is 0.29 mag, which compares with 0.43 mag from the PCM for the same SN sample. The construction of a photometric Hubble diagram is of high importance in the coming era of large photometric wide-field surveys, which will increase the detection rate of supernovae by orders of magnitude. Such numbers will prohibit spectroscopic follow up in the vast majority of cases, and hence methods must be deployed which can proceed using solely photometric data.

79 ASTRONOMY AND ASTROPHYSICS↗

Endovascular Stroke Therapy with a Novel 6-French Aspiration Catheter

Background and Purpose: Direct thrombus aspiration is increasingly used as a first-line therapy in acute ischemic stroke with large vessel occlusion. We assessed the performance and safety of a novel aspiration catheter available: the 6-French AXS Catalyst catheter. Materials and Methods: We conducted a cohort study from a prospective clinical registry of consecutive stroke patients treated by mechanical thrombectomy between March 2016 and July 2016. Baseline clinical and imaging characteristics, recanalization rates, complications, and clinical outcomes were analyzed. Results: Among the 60 patients included, 30 were treated using aspiration alone, 14 were treated using aspiration and then stent retriever as a rescue therapy, and 16 were treated using aspiration combined with a stent retriever straightaway. Successful recanalization (mTICI2b/3) was achieved in 85% patients and functional independence in 48.3%. We observed one intracranial perforation and one vertebral artery dissection. Symptomatic intracranial hemorrhage occurred in 5% and mortality in 21.7%. Conclusion: Endovascular stroke therapy using the AXS Catalyst catheter seems safe and effective, with similar performance than other reperfusion catheters.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

TiO 2 Microboxes with Controlled Internal Porosity for High‐Performance Lithium Storage

Abstract Titanium dioxide (TiO 2 ) is considered a promising anode material for high‐power lithium ion batteries (LIBs) because of its low cost, high thermal/chemical stability, and good safety performance without solid electrolyte interface formation. However, the poor electronic conductivity and low lithium ion diffusivity of TiO 2 result in poor cyclability and lithium ion depletion at high current rates, which hinder them from practical applications. Herein we demonstrate that hierarchically structured TiO 2 microboxes with controlled internal porosity can address the aforementioned problems for high‐power, long‐life LIB anodes. A self‐templating method for the synthesis of mesoporous microboxes was developed through Na 2 EDTA‐assisted ion exchange of CaTiO 3 microcubes. The resulting TiO 2 nanorods were organized into microboxes that resemble the microcube precursors. This nanostructured TiO 2 material has superior lithium storage properties with a capacity of 187 mAh g −1 after 300 cycles at 1 C and good rate capabilities up to 20 C.

Gao, Xuehui↗

Estimating the joint distribution of rate parameters across multiple reactions in the absence of experimental data

Here, a procedure for determining the joint uncertainty of Arrhenius parameters across multiple combustion reactions of interest is demonstrated. This approach is capable of constructing the joint distribution of the Arrhenius parameters arising from the uncertain measurements performed in specific target experiments without having direct access to the underlying experimental data. The method involves constructing an ensemble of hypothetical data sets with summary statistics consistent with the available information reported by the experimentalists, followed by a fitting procedure that learns the structure of the joint parameter density across reactions using this consistent hypothetical data as evidence. The procedure is formalized in a Bayesian statistical framework, employing maximum-entropy and approximate Bayesian computation methods and utilizing efficient Markov chain Monte Carlo techniques to explore data and parameter spaces in a nested algorithm. We demonstrate the application of the method in the context of experiments designed to measure the rates of selected chain reactions in the H 2 -O 2 system and highlight the utility of this approach for revealing the critical correlations between the parameters within a single reaction and across reactions, as well as for maximizing consistency when utilizing rate parameter information in predictive combustion modeling of systems of interest.

97 MATHEMATICS AND COMPUTING↗

Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation

Predicting and understanding the chemical bond is one of the major challenges of computational quantum chemistry. Kohn–Sham density functional theory (KS-DFT) is the most common method, but approximate density functionals may not be able to describe systems where multiple electronic configurations are equally important. Multiconfigurational wave functions, on the other hand, can provide a detailed understanding of the electronic structures and chemical bonds of such systems. In the complete active space self-consistent field (CASSCF) method, one performs a full configuration interaction calculation in an active space consisting of active electrons and active orbitals. However, CASSCF and its variants require the selection of these active spaces. This choice is not black box; it requires significant experience and testing by the user, and thus active space methods are not considered particularly user-friendly and are employed only by a minority of quantum chemists. Our goal is to popularize these methods by making it easier to make good active space choices. Here, we present a machine learning protocol that performs an automated selection of active spaces for chemical bond dissociation calculations of main group diatomic molecules. The protocol shows high prediction performance for a given target system as long as a properly correlated system is chosen for training. Good active spaces are correctly predicted with a considerably better success rate than random guess (larger than 80% precision for most systems studied). Our automated machine learning protocol shows that a “black-box” mode is possible for facilitating and accelerating the large-scale calculations on multireference systems where single-reference methods such as KS-DFT cannot be applied.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Gamma-ray spectroscopic characterization of long, rapidly-grown KSr 2 I 5 :Eu crystals

Collimation and volumetric studies were done to evaluate the gamma-ray spectroscopic performance of KSr 2 I 5 :Eu scintillators grown via the vertical Bridgman method. To demonstrate practical crystal growth for large-scale production, Ø1 in. × 6 in. long crystals were grown using fast pulling rates up to 5 mm/h and short cooling times. The long crystals were sectioned into shorter Ø1 in. cylinders to investigate sample-to-sample variation of scintillation properties, the effects of self-absorption and scintillation non-uniformity using different gamma-ray excitation configurations. The best light output and energy resolution achieved for the largest volume and aspect ratio crystals (60 cm 3 Ø1 in x 4.7 in. long) were 53,500 ph/MeV and 4.6% at 662 keV. Finally, we produced eight Ø1 in. × 1 in. (12.5 cm 3 ) cylindrical samples, four from each boule, with energy resolutions between 3.1%-3.5% at 662 keV.

36 MATERIALS SCIENCE↗

Nuclear resonant scattering measurements on {sup 57}Fe by multichannel scaling with a 64-pixel silicon avalanche photodiode linear-array detector

We developed a silicon avalanche photodiode (Si-APD) linear-array detector for use in nuclear resonant scattering experiments using synchrotron X-rays. The Si-APD linear array consists of 64 pixels (pixel size: 100 × 200 μm{sup 2}) with a pixel pitch of 150 μm and depletion depth of 10 μm. An ultrafast frontend circuit allows the X-ray detector to obtain a high output rate of >10{sup 7} cps per pixel. High-performance integrated circuits achieve multichannel scaling over 1024 continuous time bins with a 1 ns resolution for each pixel without dead time. The multichannel scaling method enabled us to record a time spectrum of the 14.4 keV nuclear radiation at each pixel with a time resolution of 1.4 ns (FWHM). This method was successfully applied to nuclear forward scattering and nuclear small-angle scattering on {sup 57}Fe.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗