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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

An empirical assessment of a single family‐wide hybrid capture locus set at multiple evolutionary timescales in Asteraceae

Premise Hybrid capture with high‐throughput sequencing (Hyb‐Seq) is a powerful tool for evolutionary studies. The applicability of an Asteraceae family‐specific Hyb‐Seq probe set and the outcomes of different phylogenetic analyses are investigated here. Methods Hyb‐Seq data from 112 Asteraceae samples were organized into groups at different taxonomic levels (tribe, genus, and species). For each group, data sets of non‐paralogous loci were built and proportions of parsimony informative characters estimated. The impacts of analyzing alternative data sets, removing long branches, and type of analysis on tree resolution and inferred topologies were investigated in tribe Cichorieae. Results Alignments of the Asteraceae family‐wide Hyb‐Seq locus set were parsimony informative at all taxonomic levels. Levels of resolution and topologies inferred at shallower nodes differed depending on the locus data set and the type of analysis, and were affected by the presence of long branches. Discussion The approach used to build a Hyb‐Seq locus data set influenced resolution and topologies inferred in phylogenetic analyses. Removal of long branches improved the reliability of topological inferences in maximum likelihood analyses. The Astereaceae Hyb‐Seq probe set is applicable at multiple taxonomic depths, which demonstrates that probe sets do not necessarily need to be lineage‐specific.

Jones, Katy E.↗
DOE OSTI2019

DNA translocation mechanism of the MCM complex and implications for replication initiation

The DNA translocation activity of the minichromosome maintenance (MCM) complex powers DNA strand separation of the replication forks of eukaryotes and archaea. Here we illustrate an atomic level mechanism for this activity with a crystal structure of an archaeal MCM hexamer bound to single-stranded DNA and nucleotide cofactors. Sequence conservation indicates this rotary mechanism is fully possible for all eukaryotes and archaea. The structure definitively demonstrates the ring orients during translocation with the N-terminal domain leading, indicating that the translocation activity could also provide the physical basis of replication initiation where a double-hexamer idly encircling double-stranded DNA transforms to single-hexamers that encircle only one strand. In this mechanism, each strand binds to the N-terminal tier of one hexamer and the AAA+ tier of the other hexamer such that one ring pulls on the other, aligning equivalent interfaces to enable each hexamer to pull its translocation strand outside of the opposing hexamer.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Development and Test of High Temperature Surface Acoustic Wave Gas Sensors

The demand for sensors in hostile environments, such as power plant environments, aerospace environments, oil and gas extraction, and high-temperature metallurgy environments, has risen over the past decades in a continuous attempt to increase process control, improve energy and process efficiency in production, reduce operational and maintenance costs, increase safety, and perform condition-based maintenance in equipment and structures operating in high-temperature harsh-environment conditions. The increased reliability, improved performance, and development of new sensors and networks with a multitude of components, especially wireless networks, are the target for operation in harsh environments. Gas sensors, in particular H2 sensors, operating above 200 C are required in the instrumentation, process control and general safety of a number of industries including coal, natural gas, and nuclear power generation facilities, the aerospace and automotive industries, metallurgical production and defense-related applications. The surface acoustic wave (SAW) platform is a particularly promising option for high-temperature, harsh-environment gas sensing applications since the platform exhibits advantages, such as battery-free and wireless operation, small size, possibility for scale production using well-developed technologies from the semiconductor industry, and low cost of installation and operation. In this work, one-port SAW resonators (SAWRs) operating along five different orientations on a commercially available langasite (LGS) wafer employing Pt-Al2O3 electrodes and reflectors were designed, fabricated, and used as high-temperature H2 sensors. Two of the selected orientations were predicted and confirmed to have temperature-compensated operation above 150 C. A gas sensor test setup was developed, capable of gas cycling between N2, O2 and N2/H2 mixtures under extended high-temperature periods (up to 650 C for over 20 hours). Thin film Pt-Al2O3 was used as the electrode material for the transducers and reflectors capable of high-temperature operation, and also as H2 sensing film. In addition, yttria-stabilized zirconia (YSZ) thin films with Pt decoration were tested as sensing films aimed to enhance the SAWR sensor response to H2. The SAW devices were monitored in excess of 1700 hours in real-time during gas cycling sequences up to 600 C, leading to the following findings: i) the Pt-Al2O3 electrodes performed better for H2 sensing than the Pt-decorated YSZ sensing film, showing as much as 50% higher frequency variation response in the 200 C to 400 C range; ii) different crystallographic orientations operating on the same LGS wafer experienced different responses to H2 exposures up to 500 C; iii) the surface oxidation state of the SAWR sensors was shown to have an important impact on subsequent H2 exposure responses. In addition, a sensor system employing two LGS SAWRs, aligned along two different orientations, has been developed to simultaneously determine H2 presence and temperature. Finally, wireless interrogation of a SAWR sensor was successful within the gas cycling test fixture, and successful wireless H2 detection was achieved above 400 C.

Ayes Moncada, Armando↗
DOE OSTI2026

AGFormer: Adaptive Spatiotemporal graph informed transformer for multi-reservoir inflow forecasting

Accurate reservoir inflow forecasting is crucial for effective water resource management, yet most machine learning models focus on single-reservoir prediction and overlook spatial dependencies among hydrologically connected reservoirs. Here, we propose AGFormer (Adaptive Graph-Informed Transformer), an end-to-end framework that integrates adaptive graph learning with temporal sequence modeling for multi-reservoir inflow forecasting. A shared encoder and graph attention mechanism generate reservoir-specific embeddings, which are then processed by the Transformer-based encoder–decoder for multi-step inflow forecasting. We also introduce a pretraining paradigm to learn robust temporal embeddings from misaligned historical records. Evaluated on 30 reservoirs in the Upper Colorado River Basin, AGFormer achieves superior seven-day-ahead forecasts, with NSE > 0.75 for 20 reservoirs—outperforming Encoder–Decoder LSTM, GCN+LSTM, and Transformer baselines. Adaptive graph learning captures dynamic inter-reservoir dependencies, and feature attribution aligns with snowmelt-driven hydrology. Incorporating forecasted meteorological inputs further enhances accuracy, demonstrating AGFormer’s potential to support reservoir management under dynamic hydrological conditions.

Adaptive graph learning↗
DOE OSTI2016

Isolation, structural analysis, and expression characteristics of the maize nuclear factor Y gene families

NUCLEAR FACTOR-Y (NF-Y) has been shown to play an important role in growth, development, and response to environmental stress. A NF-Y complex, which consists of three subunits, NF-YA, NF-YB, and, NF-YC, binds to CCAAT sequences in a promoter to control the expression of target genes. Although NF-Y proteins have been reported in Arabidopsis and rice, a comprehensive and systematic analysis of ZmNF-Y genes has not yet been performed. To examine the functions of ZmNF-Y genes in this family, we isolated and characterized 50 ZmNF-Y (14 ZmNF-YA, 18 ZmNF-YB, and 18 ZmNF-YC) genes in an analysis of the maize genome. The 50 ZmNF-Y genes were distributed on all 10 maize chromosomes, and 12 paralogs were identified. Multiple alignments showed that maize ZmNF-Y family proteins had conserved regions and relatively variable N-terminal or C-terminal domains. The comparative syntenic map illustrated 40 paralogous NF-Y gene pairs among the 10 maize chromosomes. Microarray data showed that the ZmNF-Y genes had tissue-specific expression patterns in various maize developmental stages and in response to biotic and abiotic stresses. The results suggested that ZmNF-YB2, 4, 8, 10, 13, and 16 and ZmNF-YC6, 8, and 15 were induced, while ZmNF-YA1, 3, 4, 6, 7, 10, 12, and 13, ZmNF-YB15, and ZmNF-YC3 and 9 were suppressed by drought stress. ZmNF-YA3, ZmNF-YA8 and ZmNF-YA12 were upregulated after infection by the three pathogens, while ZmNF-YA1 and ZmNF-YB2 were suppressed. These results indicate that the ZmNF-Ys may have significant roles in the response to abiotic and biotic stresses. - Highlights: • We indicated a total of 50 members of ZmNF-Y gene family in maize genome. • We analyzed gene structure, protein architecture of ZmNF-Y genes. • Evolution pattern and phylogenic relationships were analyzed among 50 ZmNF-Y genes. • Expression pattern of ZmNF-Ys were detected in various maize tissues. • Transcript levels of ZmNF-Ys were measured under various abiotic and biotic stresses.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2011

Solid-phase Submonomer Synthesis of Peptoid Polymers and their Self-Assembly into Highly-Ordered Nanosheets

Peptoids are a novel class of biomimetic, non-natural, sequence-specific heteropolymers that resist proteolysis, exhibit potent biological activity, and fold into higher order nanostructures. Structurally similar to peptides, peptoids are poly N-substituted glycines, where the side chains are attached to the nitrogen rather than the alpha-carbon. Their ease of synthesis and structural diversity allows testing of basic design principles to drive de novo design and engineering of new biologically-active and nanostructured materials. Here, a simple manual peptoid synthesis protocol is presented that allows the synthesis of long chain polypeptoids ( up to 50mers) in excellent yields. Only basic equipment, simple techniques (e.g. liquid transfer, filtration), and commercially available reagents are required, making peptoids an accessible addition to many researchers' toolkits. The peptoid backbone is grown one monomer at a time via the submonomer method which consists of a two-step monomer addition cycle: acylation and displacement. First, bromoacetic acid activated in situ with N,N'- diisopropylcarbodiimide acylates a resin-bound secondary amine. Second, nucleophilic displacement of the bromide by a primary amine follows to introduce the side chain. The two-step cycle is iterated until the desired chain length is reached. The coupling efficiency of this two-step cycle routinely exceeds 98% and enables the synthesis of peptoids as long as 50 residues. Highly tunable, precise and chemically diverse sequences are achievable with the submonomer method as hundreds of readily available primary amines can be directly incorporated. Peptoids are emerging as a versatile biomimetic material for nanobioscience research because of their synthetic flexibility, robustness, and ordering at the atomic level. The folding of a single-chain, amphiphilic, information-rich polypeptoid into a highly-ordered nanosheet was recently demonstrated. This peptoid is a 36-mer that consists of only three different commercially available monomers: hydrophobic, cationic and anionic. The hydrophobic phenylethyl side chains are buried in the nanosheet core whereas the ionic amine and carboxyl side chains align on the hydrophilic faces. The peptoid nanosheets serve as a potential platform for membrane mimetics, protein mimetics, device fabrication, and sensors. Methods for peptoid synthesis, sheet formation, and microscopy imaging are described and provide a simple method to enable future peptoid nanosheet designs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

A curvature-dependent membrane binding by tyrosine kinase Fer involves an intrinsically disordered region

Highlights: • Tyrosine kinase Fer preferentially binds to highly curved membranes via its FX domain. • An algorithmic search identified an intrinsically disordered region at the carboxy-terminal half of the FX domain. • The intrinsically disordered sequence forms an amphipathic helix upon binding to curved membranes. • Tyrosine kinase activity of Fer is enhanced by the presence of highly curved membranes. • -- Abstract: . Tyrosine kinases are important enzymes that mediate signal transduction at the plasma membrane. While the significance of membrane localization of tyrosine kinases has been well evaluated, the role of membrane curvature in their regulation is unknown. Here, we demonstrate that an intrinsically disordered region in the tyrosine kinase Fer acts as a membrane curvature sensor that preferentially binds to highly curved membranes in vitro. This region forms an amphipathic α-helix upon interaction with curved membranes, aligning hydrophobic residues on one side of the helical structure. Further, the tyrosine kinase activity of Fer is significantly enhanced by the membrane in a manner dependent on curvature. We propose a model for the regulation of Fer based on an intramolecular interaction and the curvature-dependent membrane binding mediated by its intrinsically disordered region.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

RESOLVING THE DUST DISK IN THE PROTOTYPE IONIZED DISK WIND SOURCE S140-IRS1

The dust disk confirming the presence of an ionized disk wind in the massive young stellar object, S140-IRS1, is resolved for the first time. The 1.3 mm continuum observations taken with the CARMA A array configuration achieve a resolution of ∼0.''12, probing scales of 100 au. The dust disk is elongated in a direction aligned with a previously discovered ionized disk wind. Both are perpendicular to the large scale molecular outflow and near-infrared reflection nebula. A two-dimensional axis-symmetric radiative transfer model is used to produce synthetic images and visibilities for comparison with the observations. Using a 2D visibility fitting method the position angle of the dusty disk is constrained to 40° ± 5°. This result confirms the disk wind nature of the radio emission from S140-IRS1 and shows that radiation pressure on the gas in the disk is important in the later stages of the massive star formation evolutionary sequence.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Persistent minimal sequences of SARS-CoV-2

Abstract Motivation Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused more than 14 million cases and more than half million deaths. Given the absence of implemented therapies, new analysis, diagnosis and therapeutics are of great importance. Results Analysis of SARS-CoV-2 genomes from the current outbreak reveals the presence of short persistent DNA/RNA sequences that are absent from the human genome and transcriptome (PmRAWs). For the PmRAWs with length 12, only four exist at the same location in all SARS-CoV-2. At the gene level, we found one PmRAW of size 13 at the Spike glycoprotein coding sequence. This protein is fundamental for binding in human ACE2 and further use as an entry receptor to invade target cells. Applying protein structural prediction, we localized this PmRAW at the surface of the Spike protein, providing a potential targeted vector for diagnostics and therapeutics. In addition, we show a new pattern of relative absent words (RAWs), characterized by the progressive increase of GC content (Guanine and Cytosine) according to the decrease of RAWs length, contrarily to the virus and host genome distributions. New analysis shows the same property during the Ebola virus outbreak. At a computational level, we improved the alignment-free method to identify pathogen-specific signatures in balance with GC measures and removed previous size limitations. Availability and implementation https://github.com/cobilab/eagle. Supplementary information Supplementary data are available at Bioinformatics online.

Pratas, Diogo↗
DOE OSTI2016

Automated segmentation of dental CBCT image with prior-guided sequential random forests

Purpose: Cone-beam computed tomography (CBCT) is an increasingly utilized imaging modality for the diagnosis and treatment planning of the patients with craniomaxillofacial (CMF) deformities. Accurate segmentation of CBCT image is an essential step to generate 3D models for the diagnosis and treatment planning of the patients with CMF deformities. However, due to the image artifacts caused by beam hardening, imaging noise, inhomogeneity, truncation, and maximal intercuspation, it is difficult to segment the CBCT. Methods: In this paper, the authors present a new automatic segmentation method to address these problems. Specifically, the authors first employ a majority voting method to estimate the initial segmentation probability maps of both mandible and maxilla based on multiple aligned expert-segmented CBCT images. These probability maps provide an important prior guidance for CBCT segmentation. The authors then extract both the appearance features from CBCTs and the context features from the initial probability maps to train the first-layer of random forest classifier that can select discriminative features for segmentation. Based on the first-layer of trained classifier, the probability maps are updated, which will be employed to further train the next layer of random forest classifier. By iteratively training the subsequent random forest classifier using both the original CBCT features and the updated segmentation probability maps, a sequence of classifiers can be derived for accurate segmentation of CBCT images. Results: Segmentation results on CBCTs of 30 subjects were both quantitatively and qualitatively validated based on manually labeled ground truth. The average Dice ratios of mandible and maxilla by the authors’ method were 0.94 and 0.91, respectively, which are significantly better than the state-of-the-art method based on sparse representation (p-value < 0.001). Conclusions: The authors have developed and validated a novel fully automated method for CBCT segmentation.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2018

The influence of alloying on the phase formation sequence of ultra-thin nickel silicide films and on the inheritance of texture

The controlled formation of silicide materials is an ongoing challenge to facilitate the electrical contact of Si-based transistors. Due to the ongoing miniaturisation of the transistor, the silicide is trending to ever-thinner thickness’s. The corresponding increase in surface-to-volume ratio emphasises the importance of low-energetic interfaces. Intriguingly, the thickness reduction of nickel silicides results in an abrupt change in phase sequence. This paper investigates the sequence of the silicides phases and their preferential orientation with respect to the Si(001) substrate, for both “thin” (i.e., 9 nm) and “ultra-thin” (i.e., 3 nm) Ni films. Furthermore, as the addition of ternary elements is often considered in order to tailor the silicides’ properties, additives of Al, Co, and Pt are also included in this study. Our results show that the first silicide formed is epitaxial h-Ni2Si, regardless of initial thickness or alloyed composition. The transformations towards subsequent silicides are changed through the additive elements, which can be understood through solubility arguments and classical nucleation theory. The crystalline alignment of the formed silicides with the substrate significantly differs through alloying. Finally, the observed textures of sequential silicides could be linked through texture inheritance. Our study illustrates the nucleation of a new phase drive to reduce the interfacial energy at the silicide-substrate interface as well as at the interface with the silicide which is being consumed for these sub-10 nm thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2018

DOE BES: Directed Assembly of Bio-inspired Supramolecular Materials for Energy Transport and Capture: Mesoscale Construction of Functional Materials in Hydrodynamic Flows. Final Project Report

The precise engineering of mesoscale structures based on molecular building blocks holds enormous promise to catalyze the development of new functional materials for advanced energy technologies. Bio-inspired and synthetic/bio-hybrid systems can play a key role in this effort due to their inherent programmable function and high degrees of sequence control. Despite recent progress, the ability to precisely control the supramolecular assembly of bio-hybrid molecules remains a central problem in the field. Our research aims to fundamentally understand the assembly mechanism of bio-hybrid materials, specifically focusing on sequence-controlled synthetic pi-conjugated oligopeptides. Moreover, we aim to develop new methods for the directed assembly of materials based on tailored fluid flows to guide the emergent structural, optical, and electronic properties of synthetic pi-conjugated peptides. Overall, our team has made substantial progress on this project through four major Thrusts: (1) Understanding the role of kinetics on the assembly process of synthetic π-conjugated peptides. (2) Probing the role of chemistry on the structural properties of these materials. (3) Real-time in situ investigation of the sol-gel transition and assembly of π-conjugated peptides. (4) Achieving large-area macroscopic alignment and assembly of these materials. In the following report, we explain major research progress in each of these research Thrusts.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

A DEEP, WIDE-FIELD, AND PANCHROMATIC VIEW OF 47 Tuc AND THE SMC WITH HST: OBSERVATIONS AND DATA ANALYSIS METHODS

In Hubble Space Telescope (HST) Cycle 17, we imaged the well-known globular star cluster 47 Tucanae for 121 orbits using the Wide Field Channel of the Advanced Camera for Surveys (ACS) and both the UV/visible (UVIS) and IR channels of the newly installed Wide Field Camera 3 (WFC3) instrument (GO-11677, PI: H. Richer). This unique data set was obtained to address many scientific questions that demand a very deep, panchromatic, and panoramic view of the cluster's stellar populations. In total, the program obtained over 0.75 Ms of imaging exposure time with the three HST cameras, over a time span of 9 months in 2010. The primary ACS field was imaged in the two broadband filters F606W and F814W, at 13 orientations, for all 121 orbits. The parallel WFC3 imaging provides a panchromatic (0.4-1.7 {mu}m) and contiguous imaging swath over a 250 Degree-Sign azimuthal range at impact radii of 6.5-17.9 pc in 47 Tuc. This imaging totals over 60 arcmin{sup 2} in area and utilizes the F390W and F606W broadband filters on WFC3/UVIS and the F110W and F160W broadband filters on WFC3/IR. In this paper, we describe the observational design of the new survey and one of the methods used to analyze all of the imaging data. This analysis combines over 700 full-frame images taken with the three HST cameras into a handful of ultra-deep, well-sampled combined images in each of the six filters. We discuss in detail the methods used to calculate accurate transformations that provide optimal alignment of the input images, the methods used to perform sky background offsets in the input stack and the flagging of deviant pixels, and the balance reached between the input-pixel drop size onto an output supersampled pixel grid. Careful photometric, morphological, and astrometric measurements are performed on the stacks using iterative PSF-fitting techniques, and reveal unprecedented color-magnitude diagrams of the cluster extending to >30th magnitude in the optical, 29th magnitude in the UV, and 27th magnitude in the IR. The data set provides a characterization of the complete stellar populations of 47 Tuc, extending from the faintest hydrogen-burning dwarfs through the main-sequence and giant branches down to very cool white dwarf remnants in the cluster. The imaging also provides the deepest probe of the stellar populations of the background Small Magellanic Cloud galaxy, resolving low-mass main-sequence dwarfs with M {approx}< 0.2 M{sub Sun }.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Geant4 simulation for a study of a possible use of carbon ions pencil beam for the treatment of ocular melanomas with the active scanning system at CNAO Centre

The aim of this work is to validate the Geant4 application reproducing the CNAO (National Centre for Oncological Hadrontherapy) beamline and to study of a possible use of carbon ion pencil beams for the treatment of ocular melanomas at the CNAO Centre. The promising aspect of carbon ions radiotherapy for the treatment of this disease lies in its superior relative radiobiological effectiveness (RBE). The Monte Carlo Geant4 toolkit is used to simulate the complete CNAO extraction beamline, with the active and passive components along it. A human eye modeled detector, including a realistic target tumor volume, is used as target. Cross check with previous studies at CNAO using protons allows comparisons on possible benefits on using such a technique with respect to proton beams. Before the eye-detector irradiation a validation of the Geant4 simulation with CNAO experimental data is carried out with both carbon ions and protons. Important beam parameters such as the transverse FWHM and scanned radiation field 's uniformity are tested within the simulation and compared with experimental measurements at CNAO Centre. The physical processes involved in secondary particles generation by carbon ions and protons in the eye-detector are reproduced to take into account the additional dose to the primary beam given to irradiated eye's tissues. A study of beam shaping is carried out to produce a uniform 3D dose distribution (shaped on the tumor) by the use of a spread out Bragg peak. The eye-detector is then irradiated through a two dimensional transverse beam scan at different depths. In the use case the eye-detector is rotated of an angle of 40 deg. in the vertical direction, in order to mis-align the tumor from healthy tissues in front of it. The treatment uniformity on the tumor in the eye-detector is tested. For a more quantitative description of the deposited dose in the eye-detector and for the evaluation of the ratio between the dose deposited in the tumor and the other eye components, proton and carbon DVHs (Dose Volume Histograms) are compared. A high statistics simulated sample is used to minimize statistical errors. In the simulation a new particle generation method is developed in order to reproduce the experimental treatment plan by importing the DICOM RT-PLAN file, which contains all the information on the irradiation geometries and sequences (treatment plan parameters). Conclusions Even further validations must be done, the good results so far obtained by this work point out and confirm the possibility of using carbon ions delivered with active scanning beams to treat the ocular melanoma.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Reduced Common-Mode Voltage PWM Scheme for Full-SiC Three-Level Uninterruptible Power Supply With Small DC-Link Capacitors

In this article, a pulsewidth modulation (PWM) scheme for three-level full-SiC uninterruptible power supplies is developed to achieve a high power density. Two key passive components are selected for size reduction of the ac-ac stage: common-mode (CM) EMI filter, and dc-link capacitors. To reduce the CM noise, a new vector combination is proposed based on synchronous switching among three-phases. The proposed combinations align CM voltage (CMV) to be a single pulse per switching period. Owing to the simple shape, CMV cancellation between a three-level rectifier and inverter can be maximally utilized. A transition between the three combinations can control the drift of neutral point voltage. An equivalent carrier-based implementation is developed. Second, a simple algorithm to compensate neutral point voltage fluctuation is proposed both for differential mode (DM) and CM output voltage. Low-order harmonics on three-phase currents and an additional high-frequency CM noise by misaligned switching instant can be eliminated. The proposed compensation can be implemented by a simple correction on carrier slopes and injected zero-sequence voltage. The proposed PWM scheme is verified with 20-kW full-SiC UPS switching at 60 kHz with 140 μF dc-link capacitors.

42 ENGINEERING↗
DOE OSTI2015

SU-E-J-229: Magnetic Resonance Imaging of Small Fiducial Markers for Proton Beam Therapy

Purpose: For proton beam therapy, small fiducial markers are preferred for patient alignment due to less interference with the proton beam. Visualizing small fiducial markers can be challenging in MRI. This study intends to investigate MRI imaging protocols for better visualization of small fiducial markers. Methods: Two carbon and two coil-shaped gold markers were placed into a gel phantom. Both carbon markers had a diameter of 1mm and a length of 3mm. Both gold markers had a length of 5mm. One gold marker had a diameter of 0.5mm and the other had a diameter of 0.75mm. T1 VIBE, T2 SPACE, TrueFISP and susceptibility weighted (SW) images were acquired. To improve marker contrast, high spatial resolution was used to reduce partial volume effect. Slice thickness was 1.5mm for all four sequences and in-plane resolution was 0.6mm for TrueFISP, 0.7mm for T1 VIBE, and 0.8mm for T2 SPACE and SW. For comparison purpose, a 3D T1 VIBE image set at 3mm slice thickness and 1.2mm in-plane resolution was also acquired. Results: All markers were visible in all high-resolution image sets. In each image set, marker-induced signal void was the smallest (in diameter) for carbon markers, followed by the 0.5mm gold marker and the largest for the 0.75mm gold marker. The SW images had the largest marker-induced signal void. However, those might be confused by susceptibility-gradient-induced signal voids. T1 VIBE had good visualization of markers with nicely defined edges. T2 SPACE had reasonable visualization of markers but edges were slightly blurred. TrueFISP had good visualization of markers only if they were not masked by banding artifacts. As a comparison, all markers were hardly visible in the standard resolution T1 VIBE images. Conclusion: 3D high-resolution T1 VIBE and SW have great potential in providing good visualization of small fiducial markers for proton beam therapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Direct Observation of the Orientational Anisotropy of Buried Hydroxyl Groups inside Muscovite Mica

Muscovite mica (001) is a widely-used model surface for controlling molecular assembly and a common substrate for environmental adsorption processes. The mica (001) surface displays near trigonal symmetry, but many molecular adsorbates — including water — exhibit unequal probabilities of alignment along its three nominally equivalent lattice directions. Buried hydroxyl groups within the muscovite structure are speculated to be responsible, but direct evidence is lacking. Here we utilize vibrational sum frequency generation spectroscopy (vSFG) to characterize the orientation and hydrogen-bonding environment of near-surface hydroxyls inside mica. Multiple distinct peaks are detected in the O-H stretch region, which we attribute to Si/Al substitution in the SiO4 tetrahedron and K+ ion adsorption above the hydroxyls based on density functional theory simulations. Our findings demonstrate that vSFG can identify the absolute orientation of –OH groups and hence the surface termination at a mica surface, providing a means to investigate how –OH groups influence molecular adsorption and better understand mica stacking-sequences and physical behavior.

Tuladhar, Aashish↗