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At least 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Impact of Erbium Doping in the Structural and Magnetic Properties of the Anisotropic and Frustrated SrYb 2 O 4 Antiferromagnet

We present a systematic study of the structural and magnetic properties of a series of powder samples of SrYb 2-x Er x O 4 with different Yb/Er concentrations. Magnetometry and neutron diffraction have been used to study the magnetic ground states of the compound series, while inelastic neutron scattering was used to investigate the crystal field excitations for a chosen concentration. These results show that the crystal structure remains the same for all compositions, while the lattice parameters increase linearly with the Er content. All compounds showed some type of magnetic transition below 1 K, however, both the magnetic structure and nature of the phase transition vary throughout the series. The samples present a non-collinear magnetic structure with the moments lying on the ab plane for low Er content. For high Er content, the magnetic structure is collinear with the moments aligned along the c-axis. A critical concentration is found where there is a bifurcation between zero-field and field-cooled magnetic susceptibility. This irreversible process could be due to the random mixture of single-ion magnetic anisotropies.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Comparative Study of High-Resolution LysB29(Nε-myristoyl) des(B30) Insulin Structures Display Novel Dynamic Causal Interrelations in Monomeric-Dimeric Motions

The treatment of insulin-dependent diabetes mellitus is characterized by artificial supplementation of pancreatic β-cell ability to regulate sugar levels in the blood. Even though various insulin analogs are crucial for reasonable glycemic control, understanding the dynamic mechanism of the insulin analogs may help to improve the best-protracted insulin analog to assist people with type 1 diabetes (T1D) to live comfortably while maintaining tight glycemic control. Here, we present the high-resolution crystal structure of NN304, known as insulin detemir, to 1.7 Å resolution at cryogenic temperature. We computationally further investigated our crystal structure’s monomeric-dimeric conformation and dynamic profile by comparing it with a previously available detemir structure (PDB ID: 1XDA). Our structure (PDB ID: 8HGZ), obtained at elevated pH, provides electrostatically triggered minor movements in the equilibrium between alternate conformational substates compared to the previous structure, suggesting it might induce an intermediate state in the dissociation pathway of the insulin detemir’s hexamer:dihexamer equilibrium. Supplemented with orientational cross-correlation analysis by a Gaussian network model (GNM), this alternate oligomeric conformation offers the distinct cooperative motions originated by loose coupling of distant conformational substates of a protracted insulin analog that has not been previously observed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Ultra-Structural Imaging Provides 3D Organization of 46 Chromosomes of a Human Lymphocyte Prophase Nucleus

Three dimensional (3D) ultra-structural imaging is an important tool for unraveling the organizational structure of individual chromosomes at various stages of the cell cycle. Performing hitherto uninvestigated ultra-structural analysis of the human genome at prophase, we used serial block-face scanning electron microscopy (SBFSEM) to understand chromosomal architectural organization within 3D nuclear space. Acquired images allowed us to segment, reconstruct, and extract quantitative 3D structural information about the prophase nucleus and the preserved, intact individual chromosomes within it. Our data demonstrate that each chromosome can be identified with its homolog and classified into respective cytogenetic groups. Thereby, we present the first 3D karyotype built from the compact axial structure seen on the core of all prophase chromosomes. The chromosomes display parallel-aligned sister chromatids with familiar chromosome morphologies with no crossovers. Furthermore, the spatial positions of all 46 chromosomes revealed a pattern showing a gene density-based correlation and a neighborhood map of individual chromosomes based on their relative spatial positioning. A comprehensive picture of 3D chromosomal organization at the nanometer level in a single human lymphocyte cell is presented.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Target Affinity and Structural Analysis for a Selection of Norovirus Aptamers

Aptamers, single-stranded oligonucleotides that specifically bind a molecule with high affinity, are used as ligands in analytical and therapeutic applications. For the foodborne pathogen norovirus, multiple aptamers exist but have not been thoroughly characterized. Consequently, there is little research on aptamer-mediated assay development. This study characterized seven previously described norovirus aptamers for target affinity, structure, and potential use in extraction and detection assays. Norovirus-aptamer affinities were determined by filter retention assays using norovirus genotype (G) I.1, GI.7, GII.3, GII.4 New Orleans and GII.4 Sydney virus-like particles. Of the seven aptamers characterized, equilibrium dissociation constants for GI.7, GII.3, GII.4 New Orleans and GII.4 Sydney ranged from 71 ± 38 to 1777 ± 1021 nM. Four aptamers exhibited affinity to norovirus GII.4 strains; three aptamers additionally exhibited affinity toward GII.3 and GI.7. Aptamer affinity towards GI.1 was not observed. Aptamer structure analysis by circular dichroism (CD) spectroscopy showed that six aptamers exhibit B-DNA structure, and one aptamer displays parallel/antiparallel G-quadruplex hybrid structure. CD studies also showed that biotinylated aptamer structures were unchanged from non-biotinylated aptamers. Finally, norovirus aptamer assay feasibility was demonstrated in dot-blot and pull-down assays. This characterization of existing aptamers provides a knowledge base for future aptamer-based norovirus detection and extraction assay development and aptamer modification.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Fyn–Saracatinib Complex Structure Reveals an Active State-like Conformation

Fyn is a Src-family tyrosine kinase implicated in synaptic dysfunction and neuroinflammation across multiple neurodegenerative disorders, including Alzheimer’s disease (AD) and Parkinson’s disease (PD). Saracatinib (AZD0530) is a potent Src-family inhibitor that has been explored as a repurposed therapeutic; however, its clinical utility is limited by poor kinase selectivity caused by high sequence conservation within Src-family ATP-binding sites. Here, we combine surface plasmon resonance (SPR) and X-ray crystallography to define saracatinib recognition by the Fyn kinase domain (KD). SPR single-cycle kinetics shows that saracatinib binds the isolated Fyn KD and full-length Fyn with low-nanomolar affinity, whereas dasatinib binds with subnanomolar affinity and markedly slower dissociation. We determined the crystal structure of the Fyn KD-saracatinib complex at 2.22 Å resolution. The kinase adopts an active-like conformation with the DFG motif and αC-helix in the ‘in’ state and a conserved β3 αC Lys-Glu salt bridge. Saracatinib occupies the adenine and ribose pockets, and engages the hinge through direct and water-mediated hydrogen bonding while complementing a hydrophobic back pocket by van der Waals contacts. Comparison with reported saracatinib-bound structures of other kinases suggests that the active-state geometry observed for Fyn creates a pocket not observed in inactive-like complexes, providing a structural handle for designing Fyn-selective inhibitors. Comparison with all saracatinib-bound kinase co-structures currently available in the PDB (ALK2 and PKMYT1) indicates a conserved monodentate hinge binding mode but kinase-dependent αC-helix conformations, providing a structural rationale for designing Fyn-selective analogues.

AZD0530↗
DOE OSTI2024

Feasibility of Recovering and Recycling Polymer Composites from End-of-Life Marine Renewable Energy Structures: A Review

Over the last few decades, several marine renewable energy (MRE) technologies, such as wave energy converters (WECs) and current energy converters (CECs), have been developed. As opposed to traditional materials such as metal alloys, the structure of these technologies is made up of polymer and polymer composite materials. Most structures have been made using thermoset polymer composites; however, since thermoset polymer composites are not recyclable and lack sustainability, and with recent innovations in recyclable resins, bio-based resins, and the development of additive manufacturing technologies, thermoplastic polymers are increasingly being used. Nevertheless, the methodologies for identifying end-of-life options and recovering these polymer composites, as well as the recycling and reuse processes for MRE structures, are not well-studied. Specifically, since these MRE structures are subjected to salinity, moisture, varying temperature, biofouling, and corrosion effects depending on their usage, the recyclability after seawater aging and degradation needs to be explored. Hence, this review provides an in-depth review of polymer composites used in marine applications, the hygrothermal aging studies conducted so far to understand the degradation of these materials, and the reuse and recycling methodologies for end-of-life MRE structures, with a particular emphasis on sustainability.

16 TIDAL AND WAVE POWER↗
DOE OSTI2020

Crystalline Structure-Dependent Mechanical and Thermoelectric Performance in Ag 2 Se 1–x S x System

Self-powered wearable electronics require thermoelectric materials simultaneously with a high dimensionless figure of merit (zT) and good flexibility to convert the heat discharged by the human body into electricity. Ag 2 (S,Se)-based semiconducting materials can well satisfy these requirements, and thus, they are attracting great attention in thermoelectric society recently. Ag 2 (S,Se) crystalizes in an orthorhombic structure or monoclinic structure, depending on the detailed S/Se atomic ratio, but the relationship between its crystalline structure and mechanical/thermoelectric performance is still unclear to date. In this study, a series of Ag 2 Se 1–x S x (x = 0, 0.1, 0.2, 0.3, 0.4, and 0.45) samples were prepared and their mechanical and thermoelectric performance dependence on the crystalline structure was systematically investigated. x = 0.3 in the Ag 2 Se 1–x S x system was found to be the transition boundary between orthorhombic and monoclinic structures. Mechanical property measurement shows that the orthorhombic Ag 2 Se 1–x S x samples are brittle while the monoclinic Ag 2 Se 1–x S x samples are ductile and flexible. In addition, the orthorhombic Ag 2 Se 1–x S x samples show better electrical transport performance and higher zT than the monoclinic samples under a comparable carrier concentration, most likely due to their weaker electron-phonon interactions. This study sheds light on the further development of flexible inorganic TE materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Intermittency and Dissipative Structures Arising from Relativistic Magnetized Turbulence

Abstract Kinetic simulations of relativistic turbulence have significantly advanced our understanding of turbulent particle acceleration. Recent progress has highlighted the need for an updated acceleration theory that can account for particle acceleration within the plasma’s coherent structures. Here, we investigate how intermittency modeling connects statistical fluctuations in turbulence to regions of high-energy dissipation. This connection is established by employing a generalized She–Leveque model to characterize the exponents ζ p for the structure functions S p ∝ l ζ p . The fitting of the scaling exponents provides us with a measure of the codimension of the dissipative structures, for which we subsequently determine the filling fraction. We perform our analysis for a range of magnetizations σ and relative fluctuation amplitudes δ B 0 / B 0 . We find that increasing values of σ and δ B 0 / B 0 allow the turbulent cascade to break sheetlike structures into smaller regions of dissipation that resemble chains of flux ropes. However, as their dissipation measure increases, the dissipative regions become less volume filling. With this work, we aim to inform future turbulent acceleration theories that incorporate particle energization from interactions with coherent structures within relativistic turbulence.

Astronomy & Astrophysics↗
DOE OSTI2025

Detection of supernova magnitude fluctuations induced by large-scale structure

The peculiar velocities of supernovae and their host galaxies are correlated with the large-scale structure of the Universe, and can be used to constrain the growth rate of structure and test the cosmological model. In this work, we measure the correlation statistics of the large-scale structure traced by the Dark Energy Spectroscopic Instrument Bright Galaxy Survey Data Release 1 sample, and magnitude fluctuations of type Ia supernova from the Pantheon+ compilation across redshifts z < 0.1. We find a detection of the cross-correlation signal between galaxies and type Ia supernova magnitudes. Fitting the normalised growth rate of structure f sigma_8 to the auto- and cross-correlation function measurements we find f sigma_8 = 0.384 +0.094 -0.157, which is consistent with the Planck LambdaCDM model prediction, and indicates that the supernova magnitude fluctuations are induced by peculiar velocities. Using a large ensemble of N-body simulations, we validate our methodology, calibrate the covariance of the measurements, and demonstrate that our results are insensitive to supernova selection effects. We highlight the potential of this methodology for measuring the growth rate of structure, and forecast that the next generation of type Ia supernova surveys will improve f sigma_8 constraints by a further order of magnitude.

Nguyen, A. [Swinburne U., Ctr. Astrophys. Supercom↗
DOE OSTI2020

An effective survey method for studying volant species activity and behavior at tall structures

The effects of anthropogenic modification of air space on wildlife, particularly volant species, is not fully understood. Thus, it is essential to understand wildlife-interactions with tall structures to implement effective mitigation strategies. Yet, we are currently lacking standard protocols for visual surveys of wildlife behavior at such heights. Our study sought to determine an effective, repeatable method using readily available night vision and thermal technology to survey wildlife at tall structures. Using bats as the taxonomic group of interest, we (1) created a key to identify bats and their behavior, (2) compared the effectiveness of 2 different technologies, and (3) assessed optimal equipment placement to visually capture bat activity and behavior in proximity to wind turbine towers. For the latter, we tested thermal cameras at four distances from the base of the tower. The results of our study revealed that thermal cameras captured ∼34% more flying animals than night vision at a 2 m distance. However, due to the heat signature of the turbine towers themselves, it was challenging to identify behaviors and interactions that occurred in close proximity to the towers. In contrast, it was difficult to identify bats approaching the towers using night vision, yet we were able to clearly observe interactions with the towers themselves. With regards to equipment placement, we visually captured more bats with the thermal cameras placed 2 m from the tower base compared to farther distances. From our findings, we recommend that when using either thermal or night vision technology at tall structures, they be placed 2 m from the base to effectively observe interactions along the length of these structures. In addition, we further recommend that consideration be given to the use of these two technology types together to effectively conduct such surveys. If these survey techniques are incorporated into standard protocols, future surveys at a variety of tall structures are likely to become comparable and repeatable, thereby more effectively informing any mitigation strategies that may be required.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Measurement of internal dark current in a 17 GHz accelerator structure with an elliptical sidewall

A 17 GHz single cell, standing wave, copper accelerator structure with an axisymmetric elliptical central cell sidewall was tested for internal and downstream dark current as a function of gradient up to 93 MV/m. The elliptical sidewall was predicted to suppress the internal dark current and the lower order multipactor modes as compared with a previously tested structure having a straight sidewall. During the conditioning phase of the elliptical sidewall structure, strong internal dark current generated by an N = 1 multipactor mode was observed at gradients in the 10 to 20 MV/m range. After conditioning with 2.2x10^5 pulses to 93 MV/m, the N = 1 mode was completely suppressed and no multipactor resonances were observed. The internal dark current was reduced to a comparatively low level, much smaller than in the previously studied, straight sidewall structure, in good agreement with simulations. The energy spectrum of the electrons colliding with the sidewall was measured using an isolated side dark current monitor and a bias voltage. As the conditioning progressed, the electron energy spectrum showed an increase in the concentration of lower energy electrons, also in good agreement with simulations. Studies of internal dark current may help to understand the rf conditioning and ultimate performance of high gradient accelerator structures.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Scattering of lower hybrid radio frequency waves by cylindrical turbulent structures in the plasma edge in tokamaks

Lower hybrid (LH) radio frequency (RF) waves are used in fusion tokamak devices to generate non-inductively toroidal currents. LH waves are effective in imparting toroidal momentum to electrons in the core of the confined plasma. Since the LH waves are generated by wave guide structures near the wall of a tokamak, the waves have to propagate through a turbulent plasma in the edge region before coupling to the core. It is especially important to quantify the effect of this plasma region on the propagation characteristics of the LH waves, since fusion reactors like ITER will have an extended edge region. Structures in the plasma edge like filaments and blobs which have highly varying density fluctuations compared to the background density, span radial spatial scales that are comparable to the LH wavelength. We study the scattering of the LH waves by the filamentary structures using Maxwell's equations, in which the plasma permittivity is given by the cold plasma dispersion tensor. The collisional absorption of LH waves in the edge region is included by a modification to the elements of the dispersion tensor. The filaments are assumed to be cylindrical with the axis predominantly aligned along the direction of the toroidal magnetic field. Our studies are both analytical and numerical [1,2] and show that these structures can lead to reflection, refraction, diffraction, and side-scattering of both an incident LH plane wave and a Gaussian beam. We will present a variety of different density variations and collisional absorption rates in plasmas with filamentary structures of varying sizes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

CELLULAR COFFERDAMS AS PERMANENT HYDROPOWER DAM STRUCTURES

This paper presents the results of a comprehensive study on the potential use of cellular cofferdams as basis for the design and construction of water retaining structures to sustainably and cost-effectively harness hydropower. Previously, cellular cofferdams have been widely used mainly as temporary water exclusion devices to permit dry construction of in-water structures such as dams, locks, bridge footings and piers, and hydroelectric power plants. Design and construction requirements for cellular cofferdams are less stringent than for hydropower dams. To make cellular cofferdams suitable for permanent hydropower use, different design concepts that utilize cellular cofferdams as the main or core element of the water-retaining dam structure are proposed. One particular key design concept is the so-called “dry construction technique” in which the granular fill in cofferdam cells and the downstream berm are permanently kept dry in contrast to the wet construction technique for temporary use of cellular cofferdams. The viability of the proposed permanent cellular cofferdam design concepts is demonstrated using well-established structural and geotechnical design procedures and computational modeling. The improved performance of the proposed design concepts, particularly in combination with the dry construction technique, show cellular cofferdams have the potential to be used as basis for the construction of permanent hydropower dam structures that are versatile, with less impact on the environment, and will cost less to build than conventional hydropower dams.

13 HYDRO ENERGY↗
DOE OSTI2020

Radiation tolerant microstructured three dimensional semiconductor structure

According to one embodiment, a product includes an array of three dimensional structures, a cavity region between each of the three dimensional structures, and a first material in contact with at least one surface of each of the three dimensional structures. In addition, each of the three dimensional structures includes a semiconductor material, where at least one dimension of each of the three dimensional structures is in a range of about 0.5 microns to about 10 microns. Moreover, the first material is configured to provide high energy particle and/or ray emissions.

25 ENERGY STORAGE↗
DOE OSTI2020

CSB-RNN: A Faster-Than-Realtime RNN Acceleration Framework with Compressed Structured Blocks

Recurrent Neural Networks (RNN) is widely applied to temporal sequence analysis, where real-time performance is usually in demand. However, RNN suffers a heavy computational workload as the model comes with a large weight matrix. To alleviate the pain, model compression (pruning) schemes have been proposed for RNN that pruning the redundant (near-zero) weight-values. On the one hand, the non-structured pruning methods achieve a considerable pruning rate while bringing the computational irregularity, which is un-friendly to parallel-hardware. On the other hand, the existing structured pruning methods consider the hardware parallelism; However, they suffer a poor pruning rate due to the restrict constraints on pruning structure. This paper presents CSB-RNN, an optimized full-stack RNN framework with the novel compressed structured block (CSB) technique. The CSB-pruned RNN model comes with both fine-granularity that benefits the pruning rate and regular structure that facilitates the hardware-parallelism. Further, we propose a novel hardware architecture for inferencing the CSB-pruned model. Different from conventional parallel hardware, this architecture solves the block-workload imbalance issue and achieves an over 95% hardware utilization. With the experiments on 10 RNN models in 5 application domains, the CSB-RNN realizes 7×-20× lossless compression and up to 50× acceptable lossy-compression, which is 2×-7× to the prior art. With the addition of the novel hardware, the compressed-RNN inference reaches a super real-time latency of 10-400µs with FPGA implementation.

Shi, Runbin↗
DOE OSTI2021

Structure Perception in 3D Point Clouds: Preprint

Understanding human perception is critical to the design of ef- fective visualizations. The relative benefits of using 2D versus 3D techniques for data visualization is a complex decision space, with varying levels of uncertainty and disagreement in both the liter- ature and in practice. This study aims to add easily reproducible, empirical evidence on the role of depth cues in perceiving structures or patterns in 3D point clouds. We describe a method to synthesize a 3D point cloud that contains a 3D structure, where 2D projec- tions of the data strongly resemble a Gaussian distribution. We performed a within-subjects structure identification study with 128 participants that compared scatterplot matrices (canonical 2D projections) and 3D scatterplots under three types of motion: rota- tion, xy-translation, and z-translation. We found that users could consistently identify three separate hidden structures under ro- tation, while those structures remained hidden in the scatterplot matrices and under translation. This work contributes a set of 3D point clouds that provide definitive examples of 3D patterns per- ceptible in 3D scatterplots under rotation but imperceptible in 2D scatterplots.

data analysis↗
DOE OSTI2021

Structurally ordered nanoparticles, methods and applications

Embodiments provide a nanoparticle and a method for preparing the nanoparticle, as well as a membrane that includes the nanoparticle and a fuel cell that includes the membrane. The method comprises a thermal treatment method that provides from a nanoparticle comprising a structurally disordered material the nanoparticle comprising: (1) a structurally ordered core comprising a first material; and (2) a shell surrounding and further structurally aligned with the structurally ordered core and comprising a second material different from the first material. Particularly desirable is a nanoparticle comprising a Pt3Co@Pt/C structurally ordered core-shell composition supported upon a carbon support.

Abruna, Hector D.↗
DOE OSTI2021

Three dimensional vertically structured electronic devices

According to one embodiment, an apparatus includes at least one vertical transistor, where the at least one vertical transistor includes: a substrate including a semiconductor material; an array of three dimensional (3D) structures above the substrate; and an isolation region positioned between the 3D structures. Each 3D structure includes the semiconductor material. Each 3D structure also includes a first region having a first conductivity type and a second region having a second conductivity type, where the second region includes a portion of at least one vertical sidewall of the 3D structure.

Conway, Adam↗