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Results for “pattern separation”

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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Simultaneous Four-Hall Operation for 12 GeV CEBAF

The CEBAF accelerator at Jefferson lab will have a new experimental hall, Hall D, added to its existing three halls as a part of the ongoing 12 GeV upgrade. Under the present CEBAF design, there is no option for sending beam to all four halls simultaneously. At least one hall has to stay down during the machine operation. A new pattern for interleaving the beam bunches is introduced that allows simultaneous operation of all four halls and provide opportunity for additional future experimental beams. The new configuration presents only a minimal change to the existing CEBAF extraction system. In fact all the lower pass extractions will stay as they are and only the frequency of 5th?pass horizontal RF separator will change. In order to make room for the new Hall D beam among the existing three beams, the beam repetition rate is reduced only for the halls taking beam at the highest pass. This and other details of the new configuration and beam pattern will be presented and discussed. A separate paper in this conference will cover the implementation choices including changes to the beam source and extraction region.*

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Polyampholyte physics: Liquid–liquid phase separation and biological condensates

Here we review the current understanding of molecular interactions that govern liquid-liquid phase separation (LLPS) of biological condensates. The connection between sequence, chain conformation, and phase separation of intrinsically disordered proteins (IDPs) and their model polyampholytes is discussed. In particular, we highlight how the charge pattern influences the conformation and phase behavior of natural IDPs. We then describe recent results from theoretical treatments of polyampholytes implementing random phase approximation, field-theoretic simulations, and transfer matrix theory that show an increase in charge segregation results in an increased tendency to phase separate.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

FLS2-BAK1 Extracellular Domain Interaction Sites Required for Defense Signaling Activation

Signaling initiation by receptor-like kinases (RLKs) at the plasma membrane of plant cells often requires regulatory leucine-rich repeat (LRR) RLK proteins such as SERK or BIR proteins. The present work examined how the microbe-associated molecular pattern (MAMP) receptor FLS2 builds signaling complexes with BAK1 (SERK3). We first, using in vivo methods that validate separate findings by others, demonstrated that flg22 (flagellin epitope) ligand-initiated FLS2-BAK1 extracellular domain interactions can proceed independent of intracellular domain interactions. We then explored a candidate SERK protein interaction site in the extracellular domains (ectodomains; ECDs) of the significantly different receptors FLS2, EFR (MAMP receptors), PEPR1 (damage-associated molecular pattern (DAMP) receptor), and BRI1 (hormone receptor). Repeat conservation mapping revealed a cluster of conserved solvent-exposed residues near the C-terminus of models of the folded LRR domains. However, site-directed mutagenesis of this conserved site in FLS2 did not impair FLS2-BAK1 ECD interactions, and mutations in the analogous site of EFR caused receptor maturation defects. Hence this conserved LRR C-terminal region apparently has functions other than mediating interactions with BAK1. In vivo tests of the subsequently published FLS2-flg22-BAK1 ECD co-crystal structure were then performed to functionally evaluate some of the unexpected configurations predicted by that crystal structure. In support of the crystal structure data, FLS2-BAK1 ECD interactions were no longer detected in in vivo co-immunoprecipitation experiments after site-directed mutagenesis of the FLS2 BAK1-interaction residues S554, Q530, Q627 or N674. In contrast, in vivo FLS2-mediated signaling persisted and was only minimally reduced, suggesting residual FLS2-BAK1 interaction and the limited sensitivity of co-immunoprecipitation data relative to in vivo assays for signaling outputs. However, Arabidopsis plants expressing FLS2 with the Q530A+Q627A double mutation were impaired both in detectable interaction with BAK1 and in FLS2-mediated responses, lending overall support to current models of FLS2 structure and function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Morphology, Deformations, and Photocatalytic Activity of Thermally Treated Brookite Titanium Dioxide Thin Films

Metastable states, in which the coupling between long-range lattice deformations and electronic properties can be controlled, provide a pathway to tailoring the behavior of photocatalytic materials by directing the flow of photoinduced charge carriers. Brookite is a metastable polymorph of earth-abundant TiO 2 that exhibits photocatalytic function and, due to its high energy relative to the anatase and rutile polymorphs, may serve as a precursor for the formation of transitional metastable structures. In this work, facile thermal annealing is employed to promote the formation of predominantly brookite-phase films, regulate the brookite lattice distortions, and determine the effect of these distortions on charge separation, ultimately directed at enhancing photocatalytic activity. Profile fitting of X-ray diffraction patterns and peak shifts in Raman spectra revealed structural distortions of the brookite lattice. Structural defects, including lattice gliding, dislocations, stacking faults, and twin boundaries, were observed using scanning transmission electron microscopy. First-principles simulations reveal how the lattice distortions associated with stacking faults induce band bending, thus increasing the photocatalytic activity of brookite. In conclusion, this study provides insight into the microstructural tuning of metastable phases to enhance their unique functionalities.

band bending↗
DOE OSTI2017

Controlling phase separation in vanadium dioxide thin films via substrate engineering

The strong electron-lattice interactions in correlated electron systems provide unique opportunities for altering the material properties with relative ease and flexibility. Here in this Rapid Communication, we use localized strain control via a focused-ion-beam patterning of TiO 2 substrates to demonstrate that one can selectively engineer the insulator-to-metal transition temperature, the fractional component of the insulating and metallic phases, and the degree of optical anisotropy down to the length scales of the intrinsic phase separation in VO 2 thin films without altering the quality of the films. The effects of localized strain control on the strongly correlated electron system are directly visualized by state-of-the-art IR near-field imaging and spectroscopy techniques and x-ray microdiffraction measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Subsurface microbial communities as a tool for characterizing regional-scale groundwater flow

Subsurface microbial community distribution patterns are influenced by biogeochemical and groundwater fluxes and may inform hydraulic connections along groundwater-flow paths. This study examined the regional-scale microbial community of the Death Valley Regional Flow System and evaluated whether subsurface communities can be used to identify groundwater-flow paths between recharge and discharge areas. Samples were collected from 36 sites in three groundwater basins: Pahute Mesa–Oasis Valley (PMOV), Ash Meadows (AM), and Alkali Flat–Furnace Creek Ranch (AFFCR). Microbial diversity within and between communities varied by location, and communities were separated into two overall groups that affiliated with the AM and PMOV/AFFCR basins. Network analysis revealed patterns between clusters of common microbes that represented groundwaters with similar geochemical conditions and largely corroborated hydraulic connections between recharge and discharge areas. Null model analyses identified deterministic and stochastic ecological processes contributing to microbial community assemblages. Most communities were more different than expected and governed by dispersal limitation, geochemical differences, or undominating processes. However, certain communities from sites located within or near the Nevada National Security Site were more similar than expected and dominated by homogeneous dispersal or selection. Overall, the (dis)similarities between the microbial communities of DVRFS recharge and discharge areas supported previously documented hydraulic connections between: (1) Spring Mountains and Ash Meadows; (2) Frenchman and Yucca Flat and Amargosa Desert; and (3) Amargosa Desert and Death Valley. However, only a portion of the flow path between Pahute Mesa and Oasis Valley could be supported by microbial community analyses, likely due to well-associated artifacts in samples from the two Oasis Valley sites. This study demonstrates the utility of combining microbial data with hydrologic, geologic, and water-chemistry information to comprehensively characterize groundwater systems, highlighting both strengths and limitations of this approach.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Liquid Crystals-Enabled AC Electrokinetics

Phenomena of electrically driven fluid flows, known as electro-osmosis, and particle transport in a liquid electrolyte, known as electrophoresis, collectively form a subject of electrokinetics. Electrokinetics shows a great potential in microscopic manipulation of matter for various scientific and technological applications. Electrokinetics is usually studied for isotropic electrolytes. Recently it has been demonstrated that replacement of an isotropic electrolyte with an anisotropic, or liquid crystal (LC), electrolyte, brings about entirely new mechanisms of spatial charge formation and electrokinetic effects. This review presents the main features of liquid crystal-enabled electrokinetics (LCEK) rooted in the field-assisted separation of electric charges at deformations of the director that describes local molecular orientation of the LC. Since the electric field separates the charges and then drives the charges, the resulting electro-osmotic and electrophoretic velocities grow as the square of the applied electric field. We describe a number of related phenomena, such as alternating current (AC) LC-enabled electrophoresis of colloidal solid particles and fluid droplets in uniform and spatially-patterned LCs, swarming of colloids guided by photoactivated surface patterns, control of LCEK polarity through the material properties of the LC electrolyte, LCEK-assisted mixing at microscale, separation and sorting of small particles. LC-enabled electrokinetics brings a new dimension to our ability to manipulate dynamics of matter at small scales and holds a major promise for future technologies of microfluidics, pumping, mixing, sensing, and diagnostics.

47 OTHER INSTRUMENTATION↗
DOE OSTI2011

Morphology Development in Model Polyethylene via Two-Dimensional Correlation Analysis

Two-dimensional (2D) correlation analysis is applied to synchrotron X-ray scattering data to characterize morphological regimes during nonisothermal crystallization of a model ethylene copolymer (hydrogenated polybutadiene, HPBD). The 2D correlation patterns highlight relationships among multiple characteristics of structure evolution, particularly the extent to which separate features change simultaneously versus sequentially. By visualizing these relationships during cooling, evidence is obtained for two separate physical processes occurring in what is known as 'irreversible crystallization' in random ethylene copolymers. Initial growth of primarily lamellae into unconstrained melt ('primary-irreversible crystallization') is distinguished from subsequent secondary lamellae formation in the constrained, noncrystalline regions between the primary lamellae ('secondary-irreversible crystallization'). At successively lower temperatures ('reversible crystallization'), growth of the crystalline reflections is found to occur simultaneously with the change in shape of the amorphous halo, which is inconsistent with the formation of an additional phase. Rather, the synchronous character supports the view that growth of frustrated crystals distorts the adjacent noncrystalline material. Furthermore, heterocorrelation analysis of small-angle and wide-angle X-ray scattering data from the reversible crystallization regime reveals that the size of new crystals is consistent with fringed-micellar structures (9 nm). Thus, 2D correlation analysis provides new insights into morphology development in polymeric systems.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Stacking fault induced tunnel barrier in platelet graphite nanofiber

A correlation study using image inspection and electrical characterization of platelet graphite nanofiber devices is conducted. Close transmission electron microscopy and diffraction pattern inspection reveal layers with inflection angles appearing in otherwise perfectly stacked graphene platelets, separating nanofibers into two domains. Electrical measurement gives a stability diagram consisting of alternating small-large Coulomb blockade diamonds, suggesting that there are two charging islands coupled together through a tunnel junction. Based on these two findings, we propose that a stacking fault can behave as a tunnel barrier for conducting electrons and is responsible for the observed double-island single electron transistor characteristics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Néel walls between tailored parallel-stripe domains in IrMn/CoFe exchange bias layers

Tailored parallel-stripe magnetic domains with antiparallel magnetizations in adjacent domains along the long stripe axis have been fabricated in an IrMn/CoFe Exchange Bias thin film system by 10 keV He{sup +}-ion bombardment induced magnetic patterning. Domain walls between these domains are of Néel type and asymmetric as they separate domains of different anisotropies. X-ray magnetic circular dichroism asymmetry images were obtained by x-ray photoelectron emission microscopy at the Co/Fe L{sub 3} edges at the synchrotron radiation source BESSY II. They revealed Néel-wall tail widths of 1 μm in agreement with the results of a model that was modified in order to describe such walls. Similarly obtained domain core widths show a discrepancy to values estimated from the model, but could be explained by experimental broadening. The rotation senses in adjacent walls were determined, yielding unwinding domain walls with non-interacting walls in this layer system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Multiscale wavelet decomposition of time-resolved X-ray diffraction signals in cyclohexadiene

We demonstrate how the wavelet transform, which is a powerful tool for compression, filtering, and scaling analysis of signals, may be used to separate large- and short-scale electron density features in X-ray diffraction patterns. Wavelets can isolate the electron density associated with delocalized bonds from the much stronger background of highly localized core electrons. The wavelet-processed signals clearly reveal the bond formation and breaking in the early steps of the photoinduced pericyclic ring opening reaction of 1,3-cyclohexadiene, which are not resolved in the bare signal.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

A PER-BASELINE, DELAY-SPECTRUM TECHNIQUE FOR ACCESSING THE 21 cm COSMIC REIONIZATION SIGNATURE

A critical challenge in measuring the power spectrum of 21 cm emission from cosmic reionization is compensating for the frequency dependence of an interferometer's sampling pattern, which can cause smooth-spectrum foregrounds to appear unsmooth and degrade the separation between foregrounds and the target signal. In this paper, we present an approach to foreground removal that explicitly accounts for this frequency dependence. We apply the delay transformation introduced in Parsons and Backer to each baseline of an interferometer to concentrate smooth-spectrum foregrounds within the bounds of the maximum geometric delays physically realizable on that baseline. By focusing on delay modes that correspond to image-domain regions beyond the horizon, we show that it is possible to avoid the bulk of smooth-spectrum foregrounds. We map the point-spread function of delay modes to k-space, showing that delay modes that are uncorrupted by foregrounds also represent samples of the three-dimensional power spectrum, and can be used to constrain cosmic reionization. Because it uses only spectral smoothness to differentiate foregrounds from the targeted 21 cm signature, this per-baseline analysis approach relies on spectrally and spatially smooth instrumental responses for foreground removal. For sufficient levels of instrumental smoothness relative to the brightness of interfering foregrounds, this technique substantially reduces the level of calibration previously thought necessary to detect 21 cm reionization. As a result, this approach places fewer constraints on antenna configuration within an array, and in particular, facilitates the adoption of configurations that are optimized for power-spectrum sensitivity. Under these assumptions, we demonstrate the potential for the Precision Array for Probing the Epoch of Reionization (PAPER) to detect 21 cm reionization at an amplitude of 10 mK{sup 2} near k {approx} 0.2 h Mpc{sup -1} with 132 dipoles in 7 months of observing.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

FIRST SYNOPTIC MAPS OF PHOTOSPHERIC VECTOR MAGNETIC FIELD FROM SOLIS/VSM: NON-RADIAL MAGNETIC FIELDS AND HEMISPHERIC PATTERN OF HELICITY

We use daily full-disk vector magnetograms from Vector Spectromagnetograph on Synoptic Optical Long-term Investigations of the Sun system to synthesize the first Carrington maps of the photospheric vector magnetic field. We describe these maps and make a comparison of the observed radial field with the radial field estimate from line-of-sight magnetograms. Furthermore, we employ these maps to study the hemispheric pattern of current helicity density, H{sub c} , during the rising phase of solar cycle 24. The longitudinal average over the 23 consecutive solar rotations shows a clear signature of the hemispheric helicity rule, i.e., H{sub c} is predominantly negative in the north and positive in the south. Although our data include the early phase of cycle 24, there appears to be no evidence for a possible (systematic) reversal of the hemispheric helicity rule at the beginning of the cycle as predicted by some dynamo models. Furthermore, we compute the hemispheric pattern in active region latitudes (-30 Degree-Sign {<=} {theta} {<=} 30 Degree-Sign ) separately for weak (100 G < |B{sub r} | < 500 G) and strong (|B{sub r} | > 1000 G) radial magnetic fields. We find that while the current helicity of strong fields follows the well-known hemispheric rule (i.e., {theta} {center_dot} H{sub c} < 0), H{sub c} of weak fields exhibits an inverse hemispheric behavior (i.e., {theta} {center_dot} H{sub c} > 0), albeit with large statistical scatter. We discuss two plausible scenarios to explain the opposite hemispheric trend of helicity in weak and strong field regions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Peptide Fragmentation Modeller

The Peptide Fragmentation Modeller is a command-line utility reads that reads in a text file of peptide sequences and generates the theoretical fragmentation pattern for each, outputting the results in a single concatenated DTA file, or in separate .Dta files. The ion intensity values are not predicted values; instead, b, c, y, and z ions are assigned an intensity of 100; while a ions and neutral loss ions receive an intensity of 20.

Monroe, Matthew↗
DOE OSTI2017

Coordination of the Ser2056 and Thr2609 Clusters of DNA-PKcs in Regulating Gamma Rays and Extremely Low Fluencies of Alpha-Particle Irradiation to G 0 /G 1 Phase Cells

The catalytic subunit of DNA dependent protein kinase (DNA-PKcs) and its kinase activity are critical for mediation of non-homologous end-joining (NHEJ) of DNA double-strand breaks (DSB) in mammalian cells after gamma-ray irradiation. Additionally, DNA-PKcs phosphorylations at the T2609 cluster and the S2056 cluster also affect DSB repair and cellular sensitivity to gamma radiation. Previously we reported that phosphorylations within these two regions affect not only NHEJ but also homologous recombination repair (HRR) dependent DSB repair. In this study, we further examine phenotypic effects on cells bearing various combinations of mutations within either or both regions. Effects studied included cell killing as well as chromosomal aberration induction after 0.5–8 Gy gamma-ray irradiation delivered to synchronized cells during the G0/G1 phase of the cell cycle. Blocking phosphorylation within the T2609 cluster was most critical regarding sensitization and depended on the number of available phosphorylation sites. It was also especially interesting that only one substitution of alanine in each of the two clusters separately abolished the restoration of wild-type sensitivity by DNA-PKcs. Similar patterns were seen for induction of chromosomal aberrations, reflecting their connection to cell killing. To study possible change in coordination between HRR and NHEJ directed repair in these DNA-PKcs mutant cell lines, we compared the induction of sister chromatid exchanges (SCEs) by very low fluencies of alpha particles with mutant cells defective in the HRR pathway that is required for induction of SCEs. Finally, levels of true SCEs induced by very low fluence of alpha-particle irradiation normally seen in wild-type cells were only slightly decreased in the S2056 cluster mutants, but were completely abolished in the T2609 cluster mutants and were indistinguishable from levels seen in HRR deficient cells. Again, a single substitution in the S2056 together with a single substitution in the T2609 cluster abolished SCE formation and thus also effectively interferes with HRR.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

ParaChoice Model

Sandia National Laboratories' (SNL's) Parametric Choice Model (ParaChoice) supports the U.S. Department of Energy Vehicle Technologies Office (VTO) mission. Using early-stage research as input, ParaChoice supports the informed development of technology that will improve affordability of transportation, while encouraging innovation and reducing dependence on petroleum. Analysis with ParaChoice enables exploration of key factors that influence consumer choice, as well as projecting the effects of technology, fuel, and infrastructure development for the vehicle fleet mix. Because of the distinct differences between requirements, needs, and use patterns for light duty vehicles (LDVs) relative to heavy duty vehicles (HDVs), this project separately models the dynamics of each of these segments to accurately characterize the factors that influence technology adoption.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Exploiting correlations in multi-coincidence Coulomb explosion patterns for differentiating molecular structures using machine learning

Coulomb explosion imaging (CEI) is a powerful technique for capturing the real-time motion of individual atoms during ultrafast photochemical reactions. CEI generates high-dimensional data with naturally embedded correlations that allow mapping the coordinated motion of nuclei in molecules. This enables reliable separation of competing reaction pathways and makes this approach uniquely suited for characterizing weak reaction channels. However, rich information contained in experimental CEI patterns remains largely underexploited due to challenges in visualizing correlations between multiple observables in multi-dimensional parameter space. Here we present a new approach to CEI of intermediate-sized polyatomic molecules, detecting up to eight ionic fragments in coincidence and leveraging machine-learning-based analysis to identify patterns and correlations in the resulting high-dimensional momentum-space data, enabling robust molecular structure identification and differentiation. Our approach provides high-dimensional background-free data encoding exceptionally rich structural information and establishes an automated, scalable framework for extracting insightful information from the data. As a demonstration, we apply this method to image and distinguish dichloroethylene isomers, showcasing its potential for broader applications in molecular imaging. Our results pave the way for channel-specific analysis of ultrafast structural dynamics in chemically relevant systems, particularly for disentangling mixed reaction pathways and detecting contributions from weak channels and minority species.

Chemical Physics (physics.chem-ph)↗
DOE OSTI2016

Selective directed self-assembly of coexisting morphologies using block copolymer blends

Directed self-assembly (DSA) of block copolymers is an emergent technique for nano-lithography, but is limited in the range of structures possible in a single fabrication step. We expand on traditional DSA chemical patterning. Moreover, a blend of lamellar- and cylinder-forming block copolymers assembles on specially designed surface chemical line gratings, leading to the simultaneous formation of coexisting ordered morphologies in separate areas of the substrate. The competing energetics of polymer chain distortions and chemical mismatch with the substrate grating bias the system towards either line/space or dot array patterns, depending on the pitch and linewidth of the prepattern. This contrasts with typical DSA, wherein assembly of a single-component block copolymer on chemical templates generates patterns of either lines/spaces (lamellar) or hexagonal dot arrays (cylinders). In our approach, the chemical template encodes desired local spatial arrangements of coexisting design motifs, self-assembled from a single, sophisticated resist.

77 NANOSCIENCE AND NANOTECHNOLOGY↗