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DOE OSTI2022

Mapping structural heterogeneity at the nanoscale with scanning nano-structure electron microscopy (SNEM)

Here, in this work, we explore the use of scanning electron diffraction (also known as 4D-STEM) coupled with electron atomic pair distribution function analysis (ePDF) to understand the local order (structure and chemistry) as a function of position in a complex multicomponent system, a hot rolled, Ni-encapsulated, Zr 65 Cu 17.5 Ni 10 Al 7.5 bulk metallic glass (BMG), with a spatial resolution of 3 nm. We show that it is possible to gain insight into the chemistry and chemical clustering/ordering tendency in different regions of the sample, including in the vicinity of nano-scale crystallites that are identified from virtual dark field images and in heavily deformed regions at the edge of the BMG. In addition to simpler analysis, unsupervised machine learning was used to extract partial PDFs from the material, modeled as a quasi-binary alloy, and map them in space. These maps allowed key insights not only into the local average composition, as validated by EELS, but also a unique insight into chemical short-range ordering tendencies in different regions of the sample during formation. The experiments are straightforward and rapid and, unlike spectroscopic measurements, don’t require energy filters on the instrument. We spatially map different quantities of interest (QoI’s), defined as scalars that can be computed directly from positions and widths of ePDF peaks or parameters refined from fits to the patterns. We developed a flexible and rapid data reduction and analysis software framework that allows experimenters to rapidly explore images of the sample on the basis of different QoI’s. The power and flexibility of this approach are explored and described in detail. Because of the fact that we are getting spatially resolved images of the nanoscale structure obtained from ePDFs we call this approach scanning nano-structure electron microscopy (SNEM), and we believe that it will be powerful and useful extension of current 4D-STEM methods.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Dissecting subcycle interference in photoelectron holography

Multipath holographic interference in strong-field quantum tunnel ionization is key to revealing subangstrom attosecond dynamics for molecular movies. This critical subcycle motion is often obscured by longer timescale effects such as ring-shaped patterns that appear in above-threshold ionization (ATI). In the present work, we overcome this problem by combining two techniques in theory and experimental analysis: unit-cell averaging and time-filtering data and simulations. Together these suppress ATI rings and enable an unprecedented highly detailed quantitative match between strong-field ionization experiments in argon and the Coulomb-quantum orbit strong-field approximation (CQSFA) theory. Velocity map images reveal fine modulations on the holographic spiderlike interference fringes that form near the polarization axis. CQSFA theory traces this to the interference of three types of electron pathways. The level of agreement between experiment and theory allows sensitive determination of quantum phase differences and symmetries, providing an important tool for quantitative dynamical imaging in quantum systems.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS1993

X ray, extreme and far ultraviolet optical thin films for space applications

Far and extreme ultraviolet optical thin film filters find many uses in space astronomy, space astrophysics, and space aeronomy. Spacebased spectrographs are used for studying emission and absorption features of the earth, planets, sun, stars, and the interstellar medium. Most of these spectrographs use transmission or reflection filters. This requirement has prompted a search for selective filtering coatings with high throughput in the FUV and EUV spectral region. Important progress toward the development of thin film filters with improved efficiency and stability has been made in recent years. The goal for this field is the minimization of absorption to get high throughput and enhancement of wavelength selection. The Optical Aeronomy Laboratory (OAL) at the University of Alabama in Huntsville has recently developed the technology to determine optical constants of bulk and film materials for wavelengths extending from x-rays (0.1 nm) to the FUV (200 nm), and several materials have been identified that were used for designs of various optical devices which previously have been restricted to space application in the visible and near infrared. A new design concept called the Pi-multilayer was introduced and applied to the design of optical coatings for wavelengths extending from x-rays to the FUV. Section 3 of this report explains the Pi-multilayer approach and demonstrates its application for the design and fabrication of the FUV coatings. Two layer Pi-stacks have been utilized for the design of reflection filters in the EUV wavelength range from 70 - 100 nm. In order to eliminate losses due to the low reflection of the imaging optics and increase throughput and out-of-band rejection of the EUV instrumentation we introduced a self-filtering camera concept. In the FUV region, MgF2 and LiF crystals are known to be birefringent. Transmission polarizers and quarterwave retarders made of MgF2 or LiF crystals are commercially available but the performances are poor. New techniques for the design of the EUV and FUV polarizers and quarterwave retarders are described in Section 5. X- and gamma-ray detectors rely on a measurement of the electron which is effected when a ray interacts with matter. The design of an x- and gamma-ray telescope to operate in a particular region of the spectrum is, therefore, largely dictated by the mechanism through which the rays interact. Energy selection and the focusing of the incident high energy rays can be achieved with spectrally selective high reflective multilayers. The design and spectral performance of narrowband reflective x-ray Pi-multilayers are presented in section 6.

Zukic, Muamer↗

NASA NTRS2004

Low-Cost, User-Friendly, Rapid Analysis of Dynamic Data System Established

An issue of primary importance to the development of new jet and certain other airbreathing combined-cycle powered aircraft is the advancement of airframe-integrated propulsion technologies. Namely, engine inlets and their systems and subsystems are required to capture, convert, and deliver the atmospheric airflow demanded by such engines across their operating envelope in a form that can be used to provide efficient, stable thrust. This must be done while also minimizing aircraft drag and weight. Revolutionary inlet designs aided by new technologies are needed to enable new missions. An unwanted byproduct of pursuing these inlet technologies is increased time-variant airflow distortion. Such distortions reduce propulsion system stability, performance, operability, and life. To countermand these limitations and fully evaluate the resulting configurations, best practices dictate that this distortion be experimentally measured at large scale and analyzed. The required measurements consist of those made by an array of high-response pressure transducers located in the flow field at the aerodynamic interface plane (AIP) between the inlet and engine. Although the acquisition of the necessary pitot-pressure time histories is relatively straight-forward, until recent years, the analysis has proved to be very time-consuming, tedious, and expensive. To transform the analysis of these data into a tractable and timely proposition, researchers at the NASA Glenn Research Center created and established the Rapid Analysis of Dynamic Data (RADD) system. The system provides complete, near real-time analysis of time-varying inlet airflow distortion datasets with report quality output. This fully digital approach employs Institute of Electrical and Electronics Engineers (IEEE) binary data file format standardization to establish data-acquisition-system-independent processing on low cost personal computers. Features include invalid instrumentation code-out, logging, and multiple replacement schemes as needed for each channel of instrumentation. The AIP pressure distribution can be interpolated to simulate measurements by alternate AIP probe arrays, if desired. In addition, the RADD system provides for the application of filters that can be used to focus the analysis on the frequency range of interest.

Arend, David J.↗

NASA NTRS2008

Post-Flight Estimation of Motion of Space Structures: Part 1

A computer program estimates the relative positions and orientations of two space structures from data on the angular positions and distances of fiducial objects on one structure as measured by a target tracking electronic camera and laser range finders on another structure. The program is written specifically for determining the relative alignments of two antennas, connected by a long truss, deployed in outer space from a space shuttle. The program is based partly on transformations among the various coordinate systems involved in the measurements and on a nonlinear mathematical model of vibrations of the truss. The program implements a Kalman filter that blends the measurement data with data from the model. Using time series of measurement data from the tracking camera and range finders, the program generates time series of data on the relative position and orientation of the antennas. A similar program described in a prior NASA Tech Briefs article was used onboard for monitoring the structures during flight. The present program is more precise and designed for use on Earth in post-flight processing of the measurement data to enable correction, for antenna motions, of scientific data acquired by use of the antennas.

Brugarolas, Paul↗

DOE OSTI2021

SOC Synthetic Microstructure Bank

QUICK START: Start with property_library.html (can be found by typing the filename into the query box) and use the interactive table to filter, sort, and select a microstructure with the desired properties. Search for the alphabetic code to obtain the corresponding dataset. Full description: This is a bank of 1,970 unique 3-phase electrode microstructure files. When you account for reassigning phase IDs (e.g. declare that 1=Ni and 2=pore, instead of 1=pore and 2=Ni), it actually represents 5,910 unique electrode microstructures, each of which could be considered to be either an air or a fuel electrode (e.g. declare that the phase IDs correspond to pore, Ni, and YSZ; or that they correspond to pore, LSCF, and GDC; or whatever electron-conductor and ion-conductor combination is being studied). The voxel size is 50 nm and each electrode file contains a 4x4 grid of (12.5 micron)^3 sub-volumes. If placed together in a grid, they comprise a 50x50x12.5 micron electrode (note that the interfaces between sub-volumes will be sharp; this can be mitigated via simulating annealing/relaxation). The sub-volumes can also be used individually for a reasonably sized 12.5 micron cubic region-of-interest. A user can simply consider the voxel size to be a different value to rescale the volumes (and all of their morphological features, including particle size) as desired. These microstructures were generated using DREAM3D. The general procedure is outlined in https://doi.org/10.1016/j.jpowsour.2018.03.025 The file names are an alphabetic code having to do with the input parameters used in DREAM3D when they were generated. Most users would be best served by starting with the file property_library.html or property_library_subvols.html (which lists properties for each individual subvolume). These files contain a catalogue of the actual, measured properties of every microstructure in the database. Any combination of property values can be filtered and sorted until a desired electrode is found, at which point the user can find the file corresponding to that alphabetic code. The properties in the catalogue include connected TPB density, and for each phase: phase fraction, average particle size, polydispersity of particle size, tortuosity, and connected pair-wise interfacial area. They also include what fraction of each property is connected through to the interfaces of the volume. If the desired combination of properties is not found at first, remember that the phase IDs can be re-assigned arbitrarily, e.g. swapping 1s and 2s. In fact, the database was generated with this in mind so as not to generate redundant microstructures. If the database does not contain the desired property combinations, try to search for the other possible permutations of those properties with re-assigned phase IDs. Please cite https://doi.org/10.1149/10301.0909ecst for use. Please contact the maintainer, William K. Epting, for additional information or assistance.

3D microstructure↗

NASA NTRS1986

Halos around planetary nebulae

Preliminary results of a CCD survey designed to detect and investigate faint halos around planetary nebulae are reported. A TI 800 x 800 pixel CCD was used to take deep exposures of 44 planetary nebulae. The exposures were obtained through an H-alpha filter at the Cassegrain focus of the Palomar 1.5 m telescope. Spatial resolutions of 1 to 2 arcsec were obtained across 400 arcsec wide fields. The images, which are in many cases considerably deeper than any previously taken, reveal numerous planetary nebula halos. About two-thirds of the studied nebulae possess extensive outer halos, here defined as any extended emission beyond the 10 percent isophote. Ionized sulphur electron density measurements show that in some nebulae, the mass in the halo is comparable to the mass contained in the primary H II region. The data have been used to place constraints on the mode of origin of the halos. It is likely that the halos originate either by dynamical separation of a single ejected shell of gas or by the ejection of two or more such shells from the central star. It is possible but less likely that the halos are caused by excitation of the preplanetary stellar wind and improbable that the halos represent reflection nebulae.

Jewitt, D. C.↗

NASA NTRS2009

Photometric Studies of Orbital Debris at GEO

Orbital debris represents a significant and increasing risk to operational spacecraft. Here we report on photometric observations made in standard BVRI filters at the Cerro Tololo Inter-American Observatory (CTIO) in an effort to determine the physical characteristics of optically faint debris at geosynchronous Earth orbit (GEO). Our sample is taken from GEO objects discovered in a survey with the University of Michigan s 0.6-m Curtis-Schmidt telescope (known as MODEST, for Michigan Orbital DEbris Survey Telescope), and then followed up in real-time with the CTIO/SMARTS 0.9-m for orbits and photometry. For a sample of 50 objects, calibrated sequences in RB- V-I-R filters have been obtained with the CTIO/SMARTS 0.9-m. For objects that do not show large brightness variations, the colors are largely redder than solar in both B-R and R-I. The width of the color distribution may be intrinsic to the nature of the surfaces, but also could imply that we are seeing irregularly shaped objects and measuring the colors at different times with just one telescope. For irregularly shaped objects tumbling at unknown orientations and rates, such sequential filter measurements using one telescope are subject to large errors for interpretation. If all observations in all filters in a particular sequence are of the same surface at the same solar and viewing angles, then the colors are meaningful. Where this is not the case, interpretation of the observed colors is impossible. For a smaller sample of objects we have observed with synchronized CCD cameras on the two telescopes. The CTIO/SMARTS 0.9-m observes in B, and the Schmidt in R. The CCD cameras are electronically linked together so that the start time and duration of observations are both the same to better than 50 milliseconds. Now the observed B-R color is a true measure of the scattered illuminated area of the debris piece for that observation.

Seitzer, Patrick↗

NASA NTRS2004

Ambient-Light-Canceling Camera Using Subtraction of Frames

The ambient-light-canceling camera (ALCC) is a proposed near-infrared electronic camera that would utilize a combination of (1) synchronized illumination during alternate frame periods and (2) subtraction of readouts from consecutive frames to obtain images without a background component of ambient light. The ALCC is intended especially for use in tracking the motion of an eye by the pupil center corneal reflection (PCCR) method. Eye tracking by the PCCR method has shown potential for application in human-computer interaction for people with and without disabilities, and for noninvasive monitoring, detection, and even diagnosis of physiological and neurological deficiencies. In the PCCR method, an eye is illuminated by near-infrared light from a lightemitting diode (LED). Some of the infrared light is reflected from the surface of the cornea. Some of the infrared light enters the eye through the pupil and is reflected from back of the eye out through the pupil a phenomenon commonly observed as the red-eye effect in flash photography. An electronic camera is oriented to image the user's eye. The output of the camera is digitized and processed by algorithms that locate the two reflections. Then from the locations of the centers of the two reflections, the direction of gaze is computed. As described thus far, the PCCR method is susceptible to errors caused by reflections of ambient light. Although a near-infrared band-pass optical filter can be used to discriminate against ambient light, some sources of ambient light have enough in-band power to compete with the LED signal. The mode of operation of the ALCC would complement or supplant spectral filtering by providing more nearly complete cancellation of the effect of ambient light. In the operation of the ALCC, a near-infrared LED would be pulsed on during one camera frame period and off during the next frame period. Thus, the scene would be illuminated by both the LED (signal) light and the ambient (background) light during one frame period, and would be illuminated with only ambient (background) light during the next frame period. The camera output would be digitized and sent to a computer, wherein the pixel values of the background-only frame would be subtracted from the pixel values of the signal-plus-background frame to obtain signal-only pixel values (see figure). To prevent artifacts of motion from entering the images, it would be necessary to acquire image data at a rate greater than the standard video rate of 30 frames per second. For this purpose, the ALCC would exploit a novel control technique developed at NASA s Jet Propulsion Laboratory for advanced charge-coupled-device (CCD) cameras. This technique provides for readout from a subwindow [region of interest (ROI)] within the image frame. Because the desired reflections from the eye would typically occupy a small fraction of the area within the image frame, the ROI capability would make it possible to acquire and subtract pixel values at rates of several hundred frames per second considerably greater than the standard video rate and sufficient to both (1) suppress motion artifacts and (2) track the motion of the eye between consecutive subtractive frame pairs.

Morookian, John Michael↗

NASA NTRS2012

Catalyst Substrates Remove Contaminants, Produce Fuel

A spacecraft is the ultimate tight building. We don t want any leaks, and there is very little fresh air coming in, says Jay Perry, an aerospace engineer at Marshall Space Flight Center. As a result, there is a huge potential for a buildup of contaminants from a host of sources. Inside a spacecraft, contaminants can be introduced from the materials that make spacecraft components, electronics boxes, or activities by the crew such as food preparation or cleaning. Humans also generate contaminants by breathing and through the body s natural metabolic processes. As part of the sophisticated Environmental Control and Life Support System on the International Space Station (ISS), a trace contaminant control system removes carbon dioxide and other impurities from the cabin atmosphere. To maintain healthy levels, the system uses adsorbent media to filter chemical contaminant molecules and a high-temperature catalytic oxidizer to change the chemical structure of the contaminants to something more benign, usually carbon dioxide and water. In the 1990s, while researching air quality control technology for extended spaceflight travel, Perry and others at Marshall were looking for a regenerable process for the continuous removal of carbon dioxide and trace chemical contaminants on long-duration manned space flights. At the time, the existing technology used on U.S. spacecraft could only be used once, which meant that a spacecraft had to carry additional spare parts for use in case the first one was depleted, or the spacecraft would have to return to Earth to exchange the components.

Source record↗

NASA NTRS2010

Observing Traveling Ionospheric Disturbances Caused by Tsunamis Using GPS TEC Measurements

Ground-based Global Positioning System (GPS) measurements of ionospheric Total Electron Content (TEC) show variations consistent with atmospheric internal gravity waves caused by ocean tsunamis following two recent seismic events: the American Samoa earthquake of September 29, 2009, and the Chile earthquake of February 27, 2010. Fluctuations in TEC correlated in time, space, and wave properties with these tsunamis were observed in TEC estimates processed using JPL's Global Ionospheric Mapping Software. These TEC estimates were band-pass filtered to remove ionospheric TEC variations with wavelengths and periods outside the typical range of internal gravity waves caused by tsunamis. Observable variations in TEC appear correlated with the tsunamis in certain locations, but not in others. Where variations are observed, the typical amplitude tends to be on the order of 1% of the background TEC value. Variations with amplitudes ~ 0.1 - 0.2 TECU are observable with periods and timing affiliated with the tsunami. These observations are compared to estimates of expected tsunami-driven TEC variations produced by Embry Riddle Aeronautical University's Spectral Full Wave Model, an atmosphere-ionosphere coupling model, and found to be in good agreement in some locations, though there are cases when the model predicts an observable tsunami-driven signature and none is observed. These TEC variations are not always seen when a tsunami is present, but in these two events the regions where a strong ocean tsunami was observed did coincide with clear TEC observations, while a lack of clear TEC observations coincided with smaller tsunami amplitudes. There exists the potential to apply these detection techniques to real-time GPS TEC data, providing estimates of tsunami speed and amplitude that may be useful for early warning systems.

Galvan, David A.↗

DOE OSTI2023

NIRDye 812: A molecular platform tailored for multimodal bioimaging applications of targeted fluorescence- and photoacoustic-guided surgery

The primary treatment for malignant tumors remains to be surgical removal of the diseased tissue. The presence or absence of residual diseased tissue at the tumor margin is the strongest predictor of postoperative prognosis and recurrence. Accordingly, reliance on the ability of surgeons to visually distinguish diseased tissue from healthy tissue unambiguously in real time is crucial. Near infrared-I (NIRsingle bondI) fluorescence-emitting targeting biomolecular constructs such as anticancer antibody-fluorophore conjugates, namely cetuximab-IRDye® 800CW (CTB-IRDye® 800CW), are FDA-approved for clinical trial usage in the fluorescence-guided resection of diseased tissue due to affording improved direct visualization of tumor tissue when compared to the use of either the unaided eye under standard white light illumination (WLI) surgical techniques or non-targeting fluorophores. Unfortunately, though helpful, CTB-IRDye® 800CW affords limited (i) identification of diseased tissue and (ii) tumor margin delineation, because the immunoconjugate generates suboptimal tumor-to-background ratios (TBRs) as a result of its spectral/photophysical profiles poorly aligning with the fixed optical windows of pre-/clinical setups. As such, CTB-IRDye® 800CW is more prone to affording incomplete resection compared to if TBRs were higher due to otherwise. Here, to aid in accurately identifying deep-seated diseased tissue, photoacoustic (PA) tomography has been implemented alongside CTB-IRDye® 800CW to achieve PA signals that could result in higher TBRs. However, in clinical trial practice, using IRDye® 800CW for PA imaging also yields subpar TBRs due to it affording low PA signals. To overcome such limitations, we developed NIRDye 812, a structurally-modified topological equivalent of IRDye® 800CW, to confer it the capability to yield both higher TBRs and superior PA signal than that of the equivalent CTB-conjugate and fluorophore IRDye® 800CW itself, respectively. To do so, we substituted the oxygen atom at its meso-position with a sulfur atom. CTB-NIRDye 812 demonstrated a red-shifted absorption wavelength at 796 nm and a peak NIR-I fluorescence emission wavelength at 820 nm, which better dovetails with the fixed windows of preinstalled fixed emission filters within commercial pre-/clinical NIR-I fluorescence imaging instruments. Overall, CTB-NIRDye 812 provided a ~ 2-fold increase in TBRs compared to those of CTB-IRDye® 800CW in vivo. Also, NIRDye 812 displayed an ~60% higher PA signal than that of IRDye® 800CW. Collectively, we achieved our goal of improving upon the spectral/photophysical and PA properties of IRDye® 800CW via introducing a subtle modification to its electronic core such that its CTB immunoconjugate could potentially allow for fast track or breakthrough designation by the FDA due to its near-identical structure displaying considerably improved efficacy.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Enhancements and Deployment of the TDAQ System for the Mu2e Experiment

The Real Time Processing Systems Division at Fermilab has deployed new features to the Off-The-Shelf Data Acquisition framework (otsdaq) for the Mu2e experiment. The Mu2e experiment will search for the coherent neutrino-less conversion of a muon into an electron in the field of an aluminum nucleus with a sensitivity improvement of 10,000 times over existing limits. Such a charged lepton flavor-violating reaction probes new physics at a scale unavailable at present or planned high-energy colliders. The Mu2e Trigger and Data Acquisition (TDAQ) system uses otsdaq as its online Data Acquisition System (DAQ) framework. otsdaq integrates the artdaq and art frameworks for event transfer, filtering, and processing. otsdaq is a web-based DAQ software suite focusing on flexibility and scalability and provides a multi-user interface accessible through a web browser. artdaq handles the entire data stream, which is read over the peripheral component interconnect express (PCIe) bus to a software filter algorithm that selects events combined with the data flux coming from a cosmic-ray veto (CRV) system. Detector front-ends are configured through the PCIe bus by customized otsdaq plugins. The otsdaq slow controls infrastructure has been further developed using the experimental physics and industrial control system (EPICS) open-source platform for monitoring, controlling, alarming, and archiving. The detector control system (DCS) for Mu2e has been integrated into otsdaq. The production TDAQ and DCS system has been deployed at the experimental hall and is being debugged and optimized for experiment operations. We report on the feature enhancements and deployment of otsdaq for Mu2e.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1978

Electronic heterodyne recording and processing of optical holograms using phase modulated reference waves

The use of a phase-modulated reference wave for the electronic heterodyne recording and processing of a hologram is described. Heterodyne recording is used to eliminate the self-interference terms of a hologram and to create a Leith-Upatnieks hologram with coaxial object and reference waves. Phase modulation is also shown to be the foundation of a multiple-view hologram system. When combined with hologram scale transformations, heterodyne recording is the key to general optical processing. Spatial filtering is treated as an example.

Decker, A. J.↗

DOE OSTI2023

High Intensity Gamma Ray Source Scintillation Attenuation Spectrometer and Filter Stack Monoenergetic Calibration

The Laser-Based X-ray Radiographic Imaging team at Los Alamos National Lab is looking for a monoenergetic MeV X-ray source to both verify our Monte Carlo N-particle simulations of detector performance and calibrate the instruments for future measurements. Funded by the Laboratory Directed Research and Development (LDRD) program, our overall goal is to improve the radiographic quality and reliability of laser-based X-ray sources for deployment at both dynamic and static radiography facilities. Laser-based X-ray sources have demonstrated smaller spot sizes to current electron accelerator based sources. The smaller laser spot size leads to significantly improved resolution.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Cryo-EM structures of the small-conductance Ca 2+ -activated K Ca 2.2 channel

Small-conductance Ca 2+ -activated K + (K Ca 2.1-K Ca 2.3) channels modulate neuronal and cardiac excitability. We report cryo-electron microscopy structures of the K Ca 2.2 channel in complex with calmodulin and Ca 2+ , alone or bound to two small molecule inhibitors, at 3.18, 3.50, 2.99 and 2.97 angstrom resolution, respectively. Extracellular S3-S4 loops in β-hairpin configuration form an outer canopy over the pore with an aromatic box at the canopy’s center. Each S3-S4 β-hairpin is tethered to the selectivity filter in the neighboring subunit by inter-subunit hydrogen bonds. This hydrogen bond network flips the aromatic residue (Tyr362) in the filter’s GYG signature by 180°, causing the outer selectivity filter to widen and water to enter the filter. Disruption of the tether by a mutation narrows the outer selectivity filter, realigns Tyr362 to the position seen in other K + channels, and significantly increases unitary conductance. UCL1684, a mimetic of the bee venom peptide apamin, sits atop the canopy and occludes the opening in the aromatic box. AP14145, an analogue of a therapeutic for atrial fibrillation, binds in the central cavity below the selectivity filter and induces closure of the inner gate. These structures provide a basis for understanding the small unitary conductance and pharmacology of K Ca 2.x channels.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Comparison of Mg-based liquid metal ion sources for scalable focused-ion-implantation doping of GaN

We compare the suitability of various magnesium-based liquid metal alloy ion sources (LMAISs) for scalable focused-ion-beam (FIB) implantation doping of GaN. We consider GaMg, MgSO 4 $\bullet$7H 2 O, MgZn, AlMg, and AuMgSi alloys. Although issues of oxidation (GaMg), decomposition (MgSO 4 $\bullet$7H 2 O), and excessive vapor pressure (MgZn and AlMg) were encountered, the AuMgSi alloy LMAIS operating in a Wien-filtered FIB column emits all Mg isotopes in singly and doubly charged ionization states. We discuss the operating conditions to achieve <20 nm spot size Mg FIB implantation and present Mg depth profile data from time-of-flight secondary ion mass spectrometry. We also provide insight into implantation damage and recovery based on cathodoluminescence spectroscopy before and after rapid thermal processing. Prospects for incorporating the Mg LMAIS into high-power electronic device fabrication are also discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2021

A Knowledge Network-Based Approach to Facilitate Annotation of Clinical Pathway Component Clusters

Mining electronic health records (EHRs) to identify contextually related clinical concept clusters that tend to co-occur temporarily and consistently could improve data-driven clinical pathway (CP) construction. However, the automatic extraction of contextually related clinical concept clusters contains a vast amount of irrelevant information. Hence, this paper proposes a knowledge network-enabled literature-based discovery (LBD) approach to remove noise from clusters. The authors used published literature to filter spurious concepts from the clusters and used data from the US Department of Veterans Affairs’s major depressive disorder (MDD) cohort of Operation Enduring Freedom/Operation Iraqi Freedom (OEF/OIF) for their experimentation. The approach was applied to 2,967 clusters extracted from the MDD OEF/OIF database. The experimental results demonstrate that the proposed approach can filter 94% of the irrelevant information. Moreover, the authors applied various network mining algorithms to analyze the clusters and demonstrated that LBD, along with network mining techniques, is a useful method for finding accurate contextually related clinical concept clusters. This could help domain researchers perform advanced analytics in CPs.

Hasan, S M Shamimul↗