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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

An analysis of key characteristics of the Frank-Read source process in FCC metals

A well-known intragranular dislocation source, the Frank-Read (FR) source plays an important role in size-dependent dislocation multiplication in crystalline materials. Despite a number of studies in this topic, a systematic investigation of multiple aspects of the FR source in different materials is lacking. Here, in this paper, we employ large scale quasistatic concurrent atomistic-continuum (CAC) simulations to model an edge dislocation bowing out from an FR source in Cu, Ni, and Al. First, a number of quantities that are important for the FR source process are quantified in the coarse-grained domain. Then, two key characteristics of the FR source, including the critical shear stress and critical dislocation configuration, are investigated. In all crystalline materials, the critical stresses and the aspect ratio of the dislocation half-loop height to the FR source length scale well with respect to the FR source length. In Al, the critical stress calculated by CAC simulations for a given FR source length agrees reasonably well with a continuum model that explicitly includes the dislocation core energy. Nevertheless, the predictions of the isotropic elastic theory do not accurately capture the FR source responses in Cu and Ni, which have a relatively large stacking fault width and elastic anisotropy. Our results highlight the significance of directly simulating the FR source activities using fully 3D models and shed light on developing more accurate continuum models.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Excitonic Shockley-Read-Hall recombination in organic semiconductors

Trap-mediated recombination influences the performance of a wide range of electronic devices. The well-known Shockley-Read-Hall (SRH) expression for inorganic semiconductors is often invoked to describe the recombination rate in organic materials, although without a clear understanding of how its parameters relate to the underlying material properties or how it should be modified to account for the finite lifetime of exciton intermediates in, for example, the doped emissive layer of an organic light-emitting diode (OLED). Here, we formalize SRH recombination for organic semiconductors based on diffusive trapping and Langevin recombination. We show that including the exciton state suppresses the recombination rate in host-guest systems with type II energy level alignment whenever the interfacial gap between the host and guest molecular orbitals is comparable to the exciton energy. Furthermore, these results quantify the balance between bimolecular and trap-mediated recombination in doped OLED emissive layers, and indicate that devices with type II host-guest pairings can, in principle, beat the thermodynamic limit of their neat guest counterparts.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Total-Ionizing-Dose Effects on Read Noise of MLC 3-D NAND Memories T

This paper analyzes the total ionizing dose (TID) effects on noise characteristics of commercial multi-level-cell (MLC) 3-D NAND memory technology during the read operation. Additionally, the chips were exposed to a Co-60 gamma-ray source for up to 100 krad(Si) of TID. We find that the number of noisy cells in the irradiated chip increases with TID. Bit-flip noise was more dominant for cells in an erased state during irradiation compared to programmed cells.

3-D NAND Flash↗
DOE OSTI2021

Spherical fitting for oscilloscope film trace reading

This report describes a spherical fitting algorithm that can be used for estimating the oscilloscope film trace coordinates. This algorithm was adopted from a least square algebraic spherical fitting algorithm developed by the author earlier for photovoltaic velocimetry applications. Preliminary assessment suggests that the algorithm may be used for optimizing the coordinates manually digitized by the user, or may be used as an uncertainty estimator for the user’s film reading uncertainties.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Electronic Public Reading Room (EPRR) Guide (V.4)

The Electronic Public Reading Room (EPRR) contains Los Alamos National Laboratory (LANL) documents required for compliance with environmental regulations and permits. Other documents that deal with environmental issues are included in EPRR.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2018

SLAC Microresonator Radio Frequency (SMuRF) Electronics for Read Out of Frequency-Division-Multiplexed Cryogenic Sensors

Large arrays of cryogenic sensors for various imaging applications ranging across x-ray, gamma-ray, cosmic microwave background, mm/sub-mm, as well as particle detection increasingly rely on superconducting microresonators for high multiplexing factors. These microresonators take the form of microwave SQUIDs that couple to transition-edge sensors or microwave kinetic inductance detectors. In principle, such arrays can be read out with vastly scalable software-defined radio using suitable FPGAs, ADCs and DACs. In this work, we share plans and show initial results for SLAC Microresonator Radio Frequency (SMuRF) electronics, a next-generation control and readout system for superconducting microresonators. SMuRF electronics are unique in their implementation of specialized algorithms for closed-loop tone tracking, which consists of fast feedback and feedforward to each resonator’s excitation parameters based on transmission measurements. Closed-loop tone tracking enables improved system linearity, a significant increase in sensor count per readout line, and the possibility of overcoupled resonator designs for enhanced dynamic range. Low-bandwidth prototype electronics were used to demonstrate closed-loop tone tracking on twelve 300-kHz-wide microwave SQUID resonators, spaced at ~ 6 MHz with center frequencies ~ 5–6 GHz. We achieve multi-kHz tracking bandwidth and demonstrate that the noise floor of the electronics is subdominant to the noise intrinsic in the multiplexer.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

MS/MS-Assisted Design of Sequence-Controlled Synthetic Polymers for Improved Reading of Encoded Information

In order to improve their MS/MS sequencing, structure of sequence-controlled synthetic polymers can be optimized based on considerations regarding their fragmentation behavior in collision-induced dissociation conditions, as demonstrated here for two digitally encoded polymer families. In poly(triazole amide)s, the main dissociation route proceeded via cleavage of the amide bond in each monomer, hence allowing the chains to be safely sequenced. However, a competitive cleavage of an ether bond in a tri(ethylene glycol) spacer placed between each coding moiety complicated MS/MS spectra while not bringing new structural information. Changing the tri(ethylene glycol) spacer to an alkyl group of the same size allowed this unwanted fragmentation pathway to be avoided, hence greatly simplifying the MS/MS reading step for such undecyl-based poly(triazole amide)s. In poly(alkoxyamine phosphodiester)s, a single dissociation pathway was achieved with repeating units containing an alkoxyamine linkage, which, by very low dissociation energy, made any other chemical bonds MS/MS-silent. Structure of these polymers was further tailored to enhance the stability of those precursor ions with a negatively charged phosphate group per monomer in order to improve their MS/MS readability. Increasing the size of both the alkyl coding moiety and the nitroxide spacer allowed sufficient distance between phosphate groups for all of them to be deprotonated simultaneously. Because the charge state of product ions increased with their polymerization degree, MS/MS spectra typically exhibited groups of fragments at one or the other side of the precursor ion depending on the original α or ω end-group they contain, allowing sequence reconstruction in a straightforward manner. .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

The effect of local chemical ordering on Frank-Read source activation in a refractory multi-principal element alloy

In this work, we investigate the operation of Frank-Read (FR) sources in a refractory multi-principal element alloy (MPEA). Simulations of discrete dislocation motion in MPEAs is enabled by the development of a phase field dislocation dynamics model that treats the atomic-scale fluctuations in lattice energies across the glide plane, present due to local ordering in the chemical composition within the nominally random MPEA atomic structure. We consider, through simulation, a range of length scales over which ordering occurs, varying from short-range lengths, a few times dislocation core width, to long-range lengths, an order of magnitude longer than the core. Characteristic of this body-centered cubic MPEA, the simulations also include screw/edge character dependence in glide resistance, as informed by atomic scale simulation. The critical stresses to activate the source for the same source size are found to be statistically distributed, as a direct consequence of the underlying variation in lattice energy. Furthermore, analysis of critical state for activating edge and screw FR sources in the MPEA reveals that FR source operation occurs via a two-step mechanism, involving athermal kink-pair formation, unlike the conventional FR source operation in a material with no composition fluctuations. This mechanism lowers the average critical stress required to activate the FR source and causes the statistical dispersion in critical stress to depend on the range of composition ordering. More importantly, it leads to a more severe dependence of source strength on FR source length than predicted by line tension alone.

36 MATERIALS SCIENCE↗
DOE OSTI2022

PDFDataExtractor: A Tool for Reading Scientific Text and Interpreting Metadata from the Typeset Literature in the Portable Document Format

The layout of portable document format (PDF) files is constant to any screen, and the metadata therein are latent, compared to mark-up languages such as HTML and XML. No semantic tags are usually provided, and a PDF file is not designed to be edited or its data interpreted by software. However, data held in PDF files need to be extracted in order to comply with opensource data requirements that are now government-regulated. In the chemical domain, related chemical and property data also need to be found, and their correlations need to be exploited to enable data science in areas such as data-driven materials discovery. Such relationships may be realized using text-mining software such as the “chemistry-aware” natural-language-processing tool, ChemDataExtractor; however, this tool has limited data-extraction capabilities from PDF files. This study presents the PDFDataExtractor tool, which can act as a plug-in to ChemDataExtractor. It outperforms other PDF-extraction tools for the chemical literature by coupling its functionalities to the chemical-named entityrecognition capabilities of ChemDataExtractor. The intrinsic PDF-reading abilities of ChemDataExtractor are much improved. The system features a template-based architecture. This enables semantic information to be extracted from the PDF files of scientific articles in order to reconstruct the logical structure of articles. While other existing PDF-extracting tools focus on quantity mining, this template-based system is more focused on quality mining on different layouts. PDFDataExtractor outputs information in JSON and plain text, including the metadata of a PDF file, such as paper title, authors, affiliation, email, abstract, keywords, journal, year, document object identifier (DOI), reference, and issue number. With a self-created evaluation article set, PDFDataExtractor achieved promising precision for all key assessed metadata areas of the document text.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Out of the Corner of My Eye: Foveal Semantic Load Modulates Parafoveal Processing in Reading.

In two experiments, we examined the impact of foveal semantic expectancy and congruity on parafoveal word processing during reading. Experiment 1 utilized an eye-tracking gaze contingent display change paradigm, and Experiment 2 measured event-related brain potentials (ERP) in a modified RSVP paradigm to track the time-course of foveal semantic influences on convert attentional allocation to parafoveal word processing. Furthermore, eye-tracking and ERP data converged to reveal graded effects of semantic foveal load on parafoveal processing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

CRISPR–Cas9 bends and twists DNA to read its sequence

In bacterial defense and genome editing applications, the CRISPR-associated protein Cas9 searches millions of DNA base pairs to locate a 20-nucleotide, guide RNA-complementary target sequence that abuts a protospacer-adjacent motif (PAM). Target capture requires Cas9 to unwind DNA at candidate sequences using an unknown ATP-independent mechanism. Here we show that Cas9 sharply bends and undertwists DNA on PAM binding, thereby flipping DNA nucleotides out of the duplex and toward the guide RNA for sequence interrogation. Cryogenic-electron microscopy (cryo-EM) structures of Cas9–RNA–DNA complexes trapped at different states of the interrogation pathway, together with solution conformational probing, reveal that global protein rearrangement accompanies formation of an unstacked DNA hinge. Bend-induced base flipping explains how Cas9 ‘reads’ snippets of DNA to locate target sites within a vast excess of nontarget DNA, a process crucial to both bacterial antiviral immunity and genome editing. This mechanism establishes a physical solution to the problem of complementarity-guided DNA search and shows how interrogation speed and local DNA geometry may influence genome editing efficiency.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Near unity ideality factor and Shockley-Read-Hall lifetime in GaN-on-GaN p-n diodes with avalanche breakdown

Textbook-like device characteristics are demonstrated in vertical GaN p-n diodes grown on bulk GaN substrates. These devices show simultaneously an avalanche breakdown voltage (BV) of >1.4 kV under reverse bias, an ideality factor plateau of ∼2.0 in a forward bias window followed by a near unity ideality factor of 1.1, which are consistently achieved over a temperature range of 300–400 K. At room temperature (RT), the diode with a mesa diameter of 107 μm showed a differential on-resistance Ron of 0.12 mΩcm2, thus resulting in a record figure-of-merit BV2/Ron of ∼16.5 GW/cm2, which is the highest ever demonstrated in any semiconductors. Analytical models are used to fit experimental I-Vs; based on the recombination current with an ideality factor of ∼2.0, a Shockley-Read-Hall lifetime of 12 ns is extracted at RT with an estimated recombination center concentration of 3 × 1015 cm−3.

Hu, Zongyang↗
DOE OSTI2016

Optically readout write once read many memory with single active organic layer

An optically readable write once read many memory (WORM) in Ag/Poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene] (MEH PPV)/ITO is demonstrated in this work. Utilising characteristics of the organic light emitting diode structure of Ag/MEH PPV/ITO and electrochemical metallization of Ag, a WORM with light emitting capability can be realised. The simple fabrication process and multifunction capability of the device can be useful for future wearable optoelectronics and photomemory applications, where fast and parallel readout can be achieved by photons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Gallium vacancy complexes as a cause of Shockley-Read-Hall recombination in III-nitride light emitters

In this paper, we describe a mechanism by which complexes between gallium vacancies and oxygen and/or hydrogen act as efficient channels for nonradiative recombination in InGaN alloys. Our identification is based on first-principles calculations of defect formation energies, charge-state transition levels, and nonradiative capture coefficients for electrons and holes. The dependence of these quantities on alloy composition is analyzed. We find that modest concentrations of the proposed defect complexes (~10 16 cm -3 ) can give rise to Shockley-Read-Hall coefficients A = ( 10 7 - 10 9 ) s -1 . Finally, the resulting nonradiative recombination would significantly reduce the internal quantum efficiency of optoelectronic devices.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Iron as a source of efficient Shockley-Read-Hall recombination in GaN

Transition metal impurities are known to adversely affect the efficiency of electronic and optoelectronic devices by introducing midgap defect levels that can act as efficient Shockley-Read-Hall centers. Iron impurities in GaN do not follow this pattern: their defect level is close to the conduction band and hence far from midgap. Here, using hybrid functional first-principles calculations, we uncover the electronic properties of Fe and we demonstrate that its high efficiency as a nonradiative center is due to a recombination cycle involving excited states. Unintentional incorporation of iron impurities at modest concentrations (10 15 cm –3 ) leads to nanosecond nonradiative recombination lifetimes, which can be detrimental for the efficiency of electronic and optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

On reading Youden: Learning about the practice of statistics and applied statistical research from a master applied statistician

From reading William John “Jack” Youden’s books and articles, Youden (1900-1971), an analytical chemist, becomes an applied statistician by the time he joins the National Bureau of Standards (NBS) in 1948. Here, this article traces his transition from chemist to applied statistician and what his body of work mostly at NBS (1948-1965) demonstrates about his practice of statistics and the role that applied statistical research plays in it. There is much we can learn from a master applied statistician.

42 ENGINEERING↗
DOE OSTI2018

New read-out electronics for ICARUS-T600 liquid argon TPC. Description, simulation and tests of the new front-end and ADC system

Here, the ICARUS T600, a liquid argon time projection chamber (LAr-TPC) detector mainly devoted to neutrino physics, underwent a major overhauling at CERN in 2016-2017, which included also a new design of the read-out electronics, in view of its operation in Fermilab on the Short Baseline Neutrino (SBN) beam from 2019. The new more compact electronics showed capability of handling more efficiently the signals also in the intermediate Induction 2 wire plane with a significant increase of signal to noise (S/N), allowing for charge measurement also in this view. The new front-end and the analog to digital conversion (ADC) system are presented together with the results of the tests on 50 liters liquid argon TPC performed at CERN with cosmic rays.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Reference-free structural variant detection in microbiomes via long-read co-assembly graphs

Motivation: The study of bacterial genome dynamics is vital for understanding the mechanisms underlying microbial adaptation, growth, and their impact on host phenotype. Structural variants (SVs), genomic alterations of 50 base pairs or more, play a pivotal role in driving evolutionary processes and maintaining genomic heterogeneity within bacterial populations. While SV detection in isolate genomes is relatively straightforward, metagenomes present broader challenges due to the absence of clear reference genomes and the presence of mixed strains. In response, our proposed method rhea, forgoes reference genomes and metagenome-assembled genomes (MAGs) by encompassing all metagenomic samples in a series (time or other metric) into a single co-assembly graph. The log fold change in graph coverage between successive samples is then calculated to call SVs that are thriving or declining. Results: We show rhea to outperform existing methods for SV and horizontal gene transfer (HGT) detection in two simulated mock metagenomes, particularly as the simulated reads diverge from reference genomes and an increase in strain diversity is incorporated. We additionally demonstrate use cases for rhea on series metagenomic data of environmental and fermented food microbiomes to detect specific sequence alterations between successive time and temperature samples, suggesting host advantage. Our approach leverages previous work in assembly graph structural and coverage patterns to provide versatility in studying SVs across diverse and poorly characterized microbial communities for more comprehensive insights into microbial gene flux.

59 BASIC BIOLOGICAL SCIENCES↗