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At least 19 records

Atomic moments in Mn{sub 2}CoAl thin films analyzed by X-ray magnetic circular dichroism

Spin gapless semiconductors are known to be strongly affected by structural disorder when grown epitaxially as thin films. The magnetic properties of Mn{sub 2}CoAl thin films grown on GaAs (001) substrates are investigated here as a function of annealing. This study investigates the atomic-specific magnetic moments of Mn and Co atoms measured through X-ray magnetic circular dichroism as a function of annealing and the consequent structural ordering. The results indicate that the structural distortion mainly affects the Mn atoms as seen by the reduction of the magnetic moment from its predicted value.

36 MATERIALS SCIENCE↗

Using Skyline to Analyze Data-Containing Liquid Chromatography, Ion Mobility Spectrometry, and Mass Spectrometry Dimensions

Recent advances in ion mobility spectrometry (IMS) have illustrated its power in determining the structural characteristics of a molecule, especially when coupled with other separations dimensions such as liquid chromatography (LC) and mass spectrometry (MS). However, these three separation techniques together greatly complicate data analyses, making better informatics tools essential for assessing the resulting data. In this manuscript, Skyline was adapted to analyze LC-IMS-CID-MS data from numerous instrument vendor datasets and determine the effect of adding the IMS dimension into the normal LC-MS molecular pipeline. For the initial evaluation, a tryptic digest of bovine serum albumin (BSA) was spiked into a yeast protein digest at seven different concentrations, and Skyline was able to rapidly analyze the MS and CID-MS data for 38 of the BSA peptides. Calibration curves for the precursor and fragment ions were assessed with and without the IMS dimension. In all cases, addition of the IMS dimension removed noise from co-eluting peptides with close m/z values, resulting in calibration curves with greater linearity and lower detection limits. This study presents an important informatics development since to date LC-IMS-CID-MS data from the different instrument vendors is often assessed manually and cannot be analyzed quickly. Because these evaluations require days for the analysis of only a few target molecules in a limited number of samples, it is unfeasible to evaluate hundreds of targets in numerous samples. Thus, this study showcases Skyline’s ability to work with the multidimensional LC-IMS-CID-MS data and provide biological and environmental insights rapidly. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Comparison of gas analyzers for eddy covariance: Effects of analyzer type and spectral corrections on fluxes

The eddy covariance technique (EC) is used at hundreds of field sites worldwide to measure trace gas exchange between the surface and the atmosphere. Data quality and correction methods for EC have been studied empirically and theoretically for many years. The recent development of new gas analyzers has led to an increase in technological options for users. Open-path (no inlet tube) and closed-path (long inlet tube) sensors have been used for a long time, whereas enclosed-path (short inlet tube) sensors are relatively new. In this work, we tested the comparability of fluxes calculated from five different gas analyzers including two open-path (LI-7500 A from LI-COR, IRGASON from Campbell), two enclosed-path (CPEC200 from Campbell, LI-7200 from LI-COR), and one closed-path (2311-f; from Picarro) analyzers, which were all located on a single tower at an irrigated alfalfa field in Davis, CA. To effectively compare sensors with different tube characteristics we used three different spectral correction methods. We found that all sensors, regardless of type, can be used to measure fluxes if appropriate corrections are applied and quality control measures are taken. However, the comparability strongly depended on the gas (CO 2 or H 2 O) and the correction method. Average differences were below 4% for CO 2 fluxes using any spectral correction method, but for H 2 O average differences were between 4% and 13% for the different methods. The magnitude of corrections also varied strongly, especially for water vapor fluxes. This study does not identify the best sensor, but rather weighs the benefits and difficulties of each sensor and sensor type. Our findings show that enclosed and closed-path gas analyzers that measure water vapor with inlet tubes experience large high frequency attenuation and should be corrected with empirical correction methods. This information presented here about different the diverse sensors be considered by investigators when choosing a sensor for a site or when analyzing EC measurements from multiple sites.

54 ENVIRONMENTAL SCIENCES↗

Effects of Magnetic and Electric Field Uniformity on Coded Aperture Imaging Quality in a Cycloidal Mass Analyzer

Cycloidal mass analyzers are unique sector mass analyzers as they exhibit perfect double focusing, making them ideal for incorporating spatial aperture coding, which can increase the throughput of a mass analyzer without affecting the resolving power. However, the focusing properties of the cycloidal mass analyzer depend on the uniformity of the electric and magnetic fields. In this paper, finite element simulation and charged particle tracing were used to investigate the effect of field uniformity on imaging performance of a cycloidal mass analyzer. For the magnetic field, we evaluate a new permanent magnet geometry by comparing it to a traditional geometry. Results indicate that creating an aperture image in a cycloidal mass spectrometer with the same FWHM as the slit requires less than 1% variation in magnetic field strength along the ion trajectories. The new magnet design, called the opposed dipole magnet, has less than 1% field variation over an area approximately 62 × 65 mm; nearly twice the area available in a traditional design of similar size and weight. This allows ion imaging across larger detector arrays without loss of resolving power. In addition, we compare the aperture imaging quality of a traditionally used cycloidal mass spectrometer electric design with a new optimized design with improved field uniformity. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

RS-232 communications analyzer module for HP-1602A logic analyzer

The design and construction of a simple ASCII analyzer is described. It was built to interface directly to a Hewlett-Packard 1602A logic state analyzer but the circuitry could easily be configured to operate with any logic analyzer. The design of the ASCII analyzer allows the use of all the trace and delay functions for the HF-1602A. The ASCII analyzer circuit utilizes two universal Asynchronous Receiver/Transmitters (UAR/Ts) to simultaneously examine both the transmit and receive serial data lines. Baud rates from 300 to 9600 bits per second are selectable with the externally mounted DIP switch. The unit requires no external power supply connection and all of the integrated circuits are CMOS for low power consumption.

Yost, S. R.↗

Construction of a quartz spherical analyzer: application to high-resolution analysis of the Ni K α emission spectrum

The construction and characterization of a focusing X-ray spherical analyzer based on α-quartz 4$\bar{4}$04 are presented. The performance of the analyzer was demonstrated by applying it to a high-resolution X-ray spectroscopy study of the K α 1,2 emission spectrum of Ni. An analytical representation based on physical grounds was assumed to model the shape of the X-ray emission lines. Satellite structures assigned to 3 d spectator hole transitions were resolved and determined as well as their relative contribution to the emission spectrum. The present results on 1 s -1 3 d -1 shake probabilities support a recently proposed calculation framework based on a multi-configuration atomic model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Carbon Monoxide Analyzer (CO-ANALYZER) Instrument Handbook

The N 2 O/CO analyzer uses LGR’s patented Off-axis ICOS technology, which employs a high-finesse optical cavity as the measurement cell. LGR’s technology has many proven advantages over conventional first-generation cavity ringdown spectroscopy (CRDS) techniques. In brief, since the laser beam does not have to be resonantly coupled to the measurement cell, precise beam alignment is not critical. Mentors can disassemble the cell for cleaning (CAREFULLY) the front surface mirrors. Analyzers are relatively inexpensive and inherently robust thermally and mechanically. In addition, since LGR’s technology can record reliable absorption spectra over a far wider range of optical depths (absorbance values) than CRDS, LGR analyzers provide measurements over a much wider range of mixing ratios (gas concentrations). The N 2 O/CO analyzer includes an internal computer that sends real-time data to the local instrument computer through its digital (RS-232) output.

47 OTHER INSTRUMENTATION↗

Measurement of analyzing power for the reaction p-vector +CH{sub 2} at polarized proton momentum of 7.5 GeV/c (ALPOM2 proposal)

An accurate data base for the analyzing power of thick CH{sub 2} analyzers for high energy protons has been at the basis of several research efforts in a number of laboratories. Starting in the late eighties such data were collected at SATURNE in Saclay, and with the Synchrophasotron in Dubna, and led to an extensive program of study of polarization phenomena in pd interaction, either backward elastic scattering or breakup [1–6]. At about the same time it became evident that measuring polarization observables in elastic ep was going to be the best approach to determine the form factors of the proton, G {sub Ep }and G {sub Mp }, as had been predicted by Akhiezer and Rekalo [7].

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

GUIDE: A Scalable Information Directory Service to Collect, Federate, and Analyze Logs for Operational Insights into a Leadership HPC Facility

In this paper, we describe the GUIDE framework to collect, federate, and analyze log data from the Oak Ridge Leadership Computing Facility's (OLCF), and how we use it derive insights into center operations. We collectsystem logs and extract monitoring data at every level of the various OLCF subsystems, and have developed a suite of pre-processing tools to make the raw data consumable. The cleansed logs are then ingested and federated into a central, scalable data warehouse, Splunk, that offers storage, indexing, querying, and visualization capabilities. We have further developed and deployed a set of analytics tools to analyze these multiple disparate log streams in concert, and derive operational insights. We describe our experience from developing and deploying the GUIDE infrastructure, and deriving valuable insights on the various subsystems, based on two years of operations in the production OLCF environment.

Vazhkudai, Sudharshan↗

Using Demanded Power and RDE Aggressiveness Metrics to Analyze the Impact of CACC Aggressiveness on Heavy Duty Platooning Power Consumption

Presently, a main mobility sector objective is to reduce its impact on the global greenhouse gas emissions. While there are many techniques being explored, a promising approach to improve fuel economy is to reduce the required energy by using slipstream effects. This study analyzes the demanded engine power and mechanical energy used by heavy-duty trucks during platooning and non-platooning operation to determine the aerodynamic benefits of the slipstream. A series of platooning tests utilizing class 8 semi-trucks platooning via Cooperative Adaptive Cruise Control (CACC) are performed. Comparing the demanded engine power and mechanical energy used reveals the benefits of platooning on the aerodynamic drag while disregarding any potential negative side effects on the engine. However, energy savings were lower than expected in some cases. It was hypothesized that the CACC may have amplified transient platooning events relative to the individual truck baseline results, hampering the potential energy savings. Therefore, the impact of the controller on the observed driving style was analyzed in detail. In order to quantify the transient operational characteristics of the experimental trials, metrics from the European Real Driving Emissions (RDE) legislation were modified to serve as metrics of aggressiveness during platooning. The metrics (v · apos)95 and Relative Positive Acceleration (RPA) were calculated for platooning and non-platooning runs. These results indicate that the CACC induces small acceleration events during platooning to retain the commanded longitudinal separation between vehicles. These small acceleration events increase following vehicle aggressiveness during platooning and prevent the following vehicles from obtaining maximum energy savings. Moreover, a correlation between the RDE metric (v · apos)95 and energy savings is developed. Hence, this work establishes the ability of RDE metrics to assess CACC impacts on platoon energy savings.

European Real Driving Emissions, RDE, greenhouse g↗

Compact and multi-view solid state neutral particle analyzer arrays on National Spherical Torus Experiment-Upgrade

A compact and multi-view solid state neutral particle analyzer (SSNPA) diagnostic based on silicon photodiode arrays has been successfully tested on the National Spherical Torus Experiment-Upgrade. The SSNPA diagnostic provides spatially, temporally, and pitch-angle resolved measurements of fast-ion distribution by detecting fast neutral flux resulting from the charge exchange (CX) reactions. The system consists of three 16-channel subsystems: t-SSNPA viewing the plasma mid-radius and neutral beam (NB) line #2 tangentially, r-SSNPA viewing the plasma core and NB line #1 radially, and p-SSNPA with no intersection with any NB lines. Due to the setup geometry, the active CX signals of t-SSNPA and r-SSNPA are mainly sensitive to passing and trapped particles, respectively. In addition, both t-SSNPA and r-SSNPA utilize three vertically stacked arrays with different filter thicknesses to obtain coarse energy information. The experimental data show that all channels are operational. The signal to noise ratio is typically larger than 10, and the main noise is x-ray induced signal. The active and passive CX signals are clearly observed on t-SSNPA and r-SSNPA during NB modulation. The SSNPA data also indicate significant losses of passing particles during sawteeth, while trapped particles are weakly affected. Fluctuations up to 120 kHz have been observed on SSNPA, and they are strongly correlated with magnetohydrodynamics instabilities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A multiscale hydro-geochemical-mechanical approach to analyze faulted CO 2 reservoirs: Original Research Article: A multiscale hydro-geochemical-mechanical approach to analyze faulted CO 2 reservoirs

This paper applies a multiscale hydro-geochemical-mechanical approach to analyze faulted CO 2 reservoirs using the STOMP-CO 2 -R code that is coupled to the ABAQUS® finite element package. STOMP-CO 2 -R models the reactive transport of CO 2 causing mineral volume fraction changes that are captured by an Eshelby-Mori-Tanka model implemented in ABAQUS®. A three-dimensional (3D) STOMP-CO 2 -R model for a reservoir containing an inclined fault was built to analyze a formation containing a reaction network with 5 minerals: albite, anorthite, calcite, kaolinite and quartz. A 3D finite element mesh that exactly maps the STOMP-CO 2 -R grid is developed for coupled hydro-geochemical-mechanical analyses. The model contains alternating sandstone and shale layers. The impact of reactive transport of CO 2 on the geomechanical properties of reservoir rocks and seals are studied in terms of mineral composition changes that affect their geomechanical responses. Simulations assuming extensional and compressional stress regimes with and without coupled geochemistry are performed to study the stress regime effect on the risk of hydraulic fracture. The tendency for the fault to slip is examined in terms of stress regime, geomechanical and geochemical-mechanical effects as well as fault inclination. The results show that mineralogical changes due to long-term injection of CO 2 reduce the permeability and elastic modulus of the reservoir, leading to increased risk of hydraulic fracture in the injection location and at the caprock seal immediately above the injection zone. Fault slip is not predicted to occur. However, fault inclination and stress regime have an important impact on the slip tendency factor.

54 ENVIRONMENTAL SCIENCES↗

A methodology to analyze photovoltaic tracker uptime

A metric is developed to analyze the daily performance of single-axis photovoltaic (PV) trackers. The metric relies on comparing correlations between the daily time series of the PV power output and an array of simulated plane-of-array irradiances for the given day. Mathematical thresholds and a logic sequence are presented, so the daily tracking metric can be applied in an automated fashion on large-scale PV systems. The results of applying the metric are visually examined against the time series of the power output data for a large number of days and for various systems. The visual inspection results suggest that overall, the algorithm is accurate in identifying stuck or functioning trackers on clear-sky days. Visual inspection also shows that there are days that are not classified by the metric where the power output data may be sufficient to identify a stuck tracker. Based on the daily tracking metric, uptime results are calculated for 83 different inverters at 34 PV sites. The mean tracker uptime is calculated at 99% based on 2 different calculation methods. The daily tracking metric clearly has limitations, but as there is no existing metrics in the literature, it provides a valuable tool for flagging stuck trackers.

14 SOLAR ENERGY↗

Proof of Concept Coded Aperture Miniature Mass Spectrometer Using a Cycloidal Sector Mass Analyzer, a Carbon Nanotube (CNT) Field Emission Electron Ionization Source, and an Array Detector

Despite many potential applications, miniature mass spectrometers have had limited adoption in the field due to the tradeoff between throughput and resolution that limits their performance relative to laboratory instruments. Recently, a solution to this tradeoff has been demonstrated by using spatially coded apertures in magnetic sector mass spectrometers, enabling throughput and signal-to-background improvements of greater than an order of magnitude with no loss of resolution. This paper describes a proof of concept demonstration of a cycloidal coded aperture miniature mass spectrometer (C-CAMMS) demonstrating use of spatially coded apertures in a cycloidal sector mass analyzer for the first time. C-CAMMS also incorporates a miniature carbon nanotube (CNT) field emission electron ionization source and a capacitive transimpedance amplifier (CTIA) ion array detector. Results confirm the cycloidal mass analyzer’s compatibility with aperture coding. A >10× increase in throughput was achieved without loss of resolution compared with a single slit instrument. Several areas where additional improvement can be realized are identified. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A Hybrid Constant and Oscillatory Field Ion Mobility Analyzer Using Structures for Lossless Ion Manipulations

Here we explore the combination of constant and oscillatory fields applied in a single device to affect the continuous separation and filtering of ions based on their mobilities. The device explored allows confining and manipulating ions utilizing a combination of radio frequency (rf), direct current (DC) fields, and traveling waves (TW) in a structures for lossless ion manipulations (SLIM) module. We have investigated theoretically and experimentally a concept for continuous filtering of ions based on their mobilities where ions are mobility separated and selected by passage through two regions, both of which incorporated combined TW and constant fields providing opposing forces on the ions. The SLIM module was composed of two surfaces with mirror-image arrays of electrodes and had two regions where the different TW and opposing DC fields could be applied. The filtering capabilities are determined by the applied DC gradient and the TW parameters, such as speed, amplitude, and the TW sequence (i.e., the duty cycle of the traveling wave). The effects of different parameters on the sensitivity and the ion mobility (IM) resolution of the device have been investigated. By appropriately choosing the DC gradient and TW parameters for the two sections, it is possible to transmit ions of a selected mobility while filtering out others of both higher and lower mobility. The novel device described here provides a basis for the targeted analysis of compounds based upon the continuous selection of ions according to their mobility and without the need for high electric fields or pulsed injection. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Toroidal silicon polarization analyzer for resonant inelastic x-ray scattering

Resonant Inelastic X-ray Scattering (RIXS) is a powerful probe for studying electronic excitations in materials. Standard high energy RIXS measurements do not measure the polarization of the scattered x-rays, which is unfortunate since it carries information about the nature and symmetry of the excitations involved in the scattering process. Here we report the fabrication of thin Si-based polarization analyzers with a double-concave toroidal surface, useful for L-edge RIXS studies in heavier atoms such as the 5-d transition metals.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗