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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Role of grain boundary crystallography on void growth in FCC metals

The growth of an isolated spherical void at and near a grain boundary or a triple junction is studied by means of full-field crystal plasticity simulations with explicit representation of the void. To examine the fundamental aspects of void/grain boundary interactions in these cases, a three-dimensional large-strain elasto-viscoplastic fast-Fourier transform (LS-EVP-FFT) model with axisymmetric tensile periodic boundary conditions was developed. We employ this model to reveal the role of crystallography (grain orientations, grain boundary misorientation and inclination angle with respect to the largest component of the applied stress) and type of loading on void growth. It was found that grain orientation was the primary crystallographic feature governing void growth in strain-rate controlled simulations. For strains small enough to not significantly alter the local geometry, the overall growth of the void in bicrystal boundaries was not strongly affected by grain boundary inclination angle. The relative amount of void growth experienced within each grain in a bicrystal or tri-crystal was strongly dependent on the grain boundary inclination angle. We found a subset of orientations that exhibit faster void growth in bicrystal boundaries than inside the constituent single crystals. Last, we show that when placed primarily in one grain but near the grain boundary, void growth was similar to void growth when placed at the grain boundary. Furthermore, the growing void remained in the original grain and did not grow into the other grain, regardless of crystallographic character.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Topological control of magnetic textures

Here, a micromagnetic study is carried out on the role of using topology to stabilize different magnetic textures, such as a vortex or an antivortex state, in a magnetic heterostructure consisting of a permalloy disk coupled to a set of nanomagnetic bars. The topological boundary condition is set by the stray field contributions of the nanomagnet bars and thus by their magnetization configuration, and can be described by a discretized winding number that will be matched by the winding number of the topological state set in the disk. The lowest number of nanomagnets that defines a suitable boundary is 4, and we identify a critical internanomagnet angle of 225 ° between two nanomagnets, at which the boundary fails because the winding number of the nanomagnet configuration no longer controls that of the disk magnetization. The boundary also fails when the disk-nanomagnets separation is >50 nm and for disk diameters >480 nm. Finally, we provide preliminary experimental evidence from magnetic force microscopy studies in which we demonstrate that an energetically unstable, antivortex-like structure can indeed be stabilized in a permalloy disk, provided that the appropriate topological conditions are set.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Facile synthesis of epoxide-co-propylene sulphide polymers with compositional and architectural control

Here, we present a facile method to produce propylene sulphide (PS) homopolymers up to 100 kg mol -1 and PS-epoxide statistical, block, and ABA copolymers using inexpensive and versatile thio-aluminium (SAl) based initiators. Homopolymerizations of PS with SAl initiators are living and controlled, with number averaged molecular weights ($\bar M$ n ) up to 100 kg mol -1 while maintaining narrow polydispersity (Ð < 1.4). Statistical and block copolymers of PS and epichlorohydrin (ECH) or propylene oxide (PO) are synthesized and characterized by size-exclusion chromatography (SEC), differential scanning calorimetry (DSC), 1 H and 13 C NMR spectroscopy, diffusion ordered spectroscopy (DOSY), and small-angle X-ray scattering (SAXS). This work represents the first statistical copolymerization of PS and epoxides with similar reactivity ratios, allowing fine control over composition. Block-copolymers of PS and epoxides are synthesized by sequential addition, without intermediate preparative steps. Polymer architecture is controlled through modification of the initiator; we synthesized a di-functional (d-H) SAl initiator to produce ABA tri-block-copolymers. Finally, poly(ethylene glycol) (PEG) was used as a macroinitiator to create PEG-b-PPS block copolymers and characterized by 1 H, 13 C NMR spectroscopy, DOSY, DSC, and SEC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Leading Edge Microspoilers for Load Dumping in Wind Turbine Rotors

As rotor designs have grown in size and flexibility, new design challenges have arisen that could benefit from novel control strategies. Leading edge microspoilers (LEMS) have been shown to effectively reduce forces on airfoils by inducing stall at lower angles of attack. This paper investigates how LEMS can be used to reduce blade loading on large, flexible, downwind rotors during design-limiting design load cases. During shutdown in turbulent flows near cutout speed, LEMS could reduce the tip deflection spikes toward the tower by over 50% and keep flapwise root bending moments below normal operating conditions, thus eliminating these as design-driving load cases. In power producing load cases, deploying LEMS for a short period of time during a load spike can be effective to reduce toward-tower tip deflections without significantly impacting power produced, assuming these load spikes can be identified by a controller. Leveraging this technology could allow for lower specific power machines to be designed.

17 WIND ENERGY↗
DOE OSTI2022

Development of a Flotation Simulator That Can Predict Grade vs. Recovery Curves from Mineral Liberation Data

Flotation is a kinetic process designed to separate mineral fines by control of hydrophobicity. In general, both the recovery and selectivity of a flotation process increase with contact angle. It is difficult, however, to model flotation kinetics using the thermodynamic parameter. In the present work, we consider flotation as heterocoagulation so that the bubble-particle interactions occurring in the pulp phase of a flotation cell can be modeled using the hydrophobic force as a kinetic parameter that can represent the role of contact angles in flotation. Here, the pulp-phase model developed in this manner has been combined with a froth-phase model developed earlier by considering the effect of particles in film thinning kinetics and bubble coarsening (Park et al, 2018). The combined model has been used to develop a flotation simulator that can be used to construct grade vs. recovery curves from feed characteristics (e.g., mineral liberation and particle size) and various operating parameters. The simulator has been tested successfully against a set of bench-scale continuous flotation test results reported in the literature (dos Santos and Galery, 2018).

58 GEOSCIENCES↗
DOE OSTI2022

Spontaneous time-reversal symmetry breaking in twisted double bilayer graphene

Twisted double bilayer graphene (tDBG) comprises two Bernal-stacked bilayer graphene sheets with a twist between them. Gate voltages applied to top and back gates of a tDBG device tune both the flatness and topology of the electronic bands, enabling an unusual level of experimental control. Metallic states with broken spin and valley symmetries have been observed in tDBG devices with twist angles in the range 1.2–1.3°, but the topologies and order parameters of these states have remained unclear. We report the observation of an anomalous Hall effect in the correlated metal state of tDBG, with hysteresis loops spanning hundreds of mT in out-of-plane magnetic field (B ⊥ ) that demonstrate spontaneously broken time-reversal symmetry. The B ⊥ hysteresis persists for in-plane fields up to several Tesla, suggesting valley (orbital) ferromagnetism. At the same time, the resistivity is strongly affected by even mT-scale values of in-plane magnetic field, pointing to spin-valley coupling or to a direct orbital coupling between in-plane field and the valley degree of freedom.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Voltage waveform tailoring for high aspect ratio plasma etching of SiO 2 using Ar/CF 4 /O 2 mixtures: Consequences of ion and electron distributions on etch profiles

The quality of high aspect ratio (HAR) features etched into dielectrics for microelectronics fabrication using halogen containing low temperature plasmas strongly depends on the energy and angular distribution of the incident ions (IEAD) onto the wafer, as well as potentially that of the electrons (EEAD). Positive ions, accelerated to high energies by the sheath electric field, have narrow angular spreads and can penetrate deeply into HAR features. Electrons typically arrive at the wafer with nearly thermal energy and isotropic angular distributions and so do not directly penetrate deeply into features. These differences can lead to positive charging of the insides of the features that can slow etching rates and produce geometric defects such as twisting. In this work, we computationally investigated the plasma etching of HAR features into SiO 2 using tailored voltage waveforms in a geometrically asymmetric capacitively coupled plasma sustained in an Ar/CF 4 /O 2 mixture at 40 mTorr. The tailored waveform consisted of a sinusoidal wave and its higher harmonics with a fundamental frequency of 1 MHz. We found that some degree of control of the IEADs and EEADs is possible by adjusting the phase of higher harmonics φ through the resulting generation of electrical asymmetry and electric field reversal. However, the IEADs and EEADs cannot easily be separately controlled. The control of IEADs and EEADs is inherently linked. The highest quality feature was obtained with a phase angle φ = 0° as this value generated the largest (most negative) DC self-bias and largest electric field reversal for accelerating electrons into the feature. That said, the consequences of voltage waveform tailoring (VWT) on etched features are dominated by the change in the IEADs. Although VWT does produce EEADs with higher energy and narrower angular spread, the effect of these electrons on the feature compared to thermal electrons is not large. Finally, this smaller impact of VWT produced EEADs is attributed to thermal electrons being accelerated into the feature by electric fields produced by the positive in-feature charging.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Synchrophasors-based Master State Awareness Estimator for Cybersecurity in Power Grid: Testbed Implementation & Field Demonstration

The integration of distributed energy resources(DERs) and expansion of complex network in the distribution grid requires an advanced distributed state estimator to monitor the grid health at micro-level. The distribution state estimator will improve the situational awareness and resiliency of distributed power system. This paper proposes a synchrophasors-based master state awareness (MSA) estimator to enhance the cybersecurity in distribution grid by providing a real-time estimation of system operating states to control center operators. In this paper, the proposed MSA estimator utilizes only phasor measurements, bus magnitudes and angles, from phasor measurement units (PMUs),deployed in local substations, to estimate the system states and also detects data integrity attacks, such as load tripping attack that disconnects the load. To validate the proof of concept, we implement the proposed methodology in cyber-physical testbed environment at the Idaho National Laboratory (INL) Electric Grid Security Testbed. Further, to address the “valley of death” and support technology commercialization, field demonstration is also performed at the Critical Infrastructure Test Range Complex(CITRC) at the INL. Our experimental results reveal a promising performance in detecting load tripping attack and providing an accurate situational awareness through an alert visualization dashboard in real-time

42 ENGINEERING↗
DOE OSTI2022

Chapter 38: Aerodynamics of Wake Steering

This chapter discusses the mechanisms that enable wake steering within a wind farm with a focus on wake steering performed using yaw misaligned turbines as this is the most popular approach to wake steering, although there are others. Wake steering is a type of wind farm control in which wind turbines in a wind farm operate with an intentional yaw misalignment to mitigate the effects of its wake on downstream turbines in order to increase overall combined wind farm energy production. This chapter goes into detail regarding the dominant aerodynamic characteristics that are present when a turbine operates in yaw misaligned conditions and suggests analytical models that can capture these effects. A detailed analysis of large-scale flow structures generated in wind farm control through yaw misalignment is presented. A collection of counter-rotating vortices, produced from a misaligned turbine, deforms the shape of the wake and produces asymmetric effects with oppositely signed yaw angles. These vortices generated by an upstream misaligned turbine can also deflect wakes of downstream non-misaligned turbines. This chapter also addresses the importance of modeling these counter-rotating vortices in analytical models for wind farm control design and for accurately quantifying the impacts of wake steering on gains in power production in larger wind farms.

modeling↗
DOE OSTI2021

Synthesis and Advanced Characterization of Polymer–Protein Core–Shell Nanoparticles

Enzyme immobilization techniques are widely researched due to their wide range of applications. Polymer–protein core–shell nanoparticles (CSNPs) have emerged as a promising technique for enzyme/protein immobilization via a self-assembly process. Based on the desired application, different sizes and distribution of the polymer–protein CSNPs may be required. This work systematically studies the assembly process of poly(4-vinyl pyridine) and bovine serum albumin CSNPs. Average particle size was controlled by varying the concentrations of each reagent. Particle size and size distributions were monitored by dynamic light scattering, ultra-small-angle X-ray scattering, small-angle X-ray scattering and transmission electron microscopy. Results showed a wide range of CSNPs could be assembled ranging from an average radius as small as 52.3 nm, to particles above 1 µm by adjusting reagent concentrations. In situ X-ray scattering techniques monitored particle assembly as a function of time showing the initial particle growth followed by a decrease in particle size as they reach equilibrium. The results outline a general strategy that can be applied to other CSNP systems to better control particle size and distribution for various applications.

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

X-Ray Diffraction and Electron Microscopy Studies of the Size Effects on Pressure-Induced Phase Transitions in CdS Nanocrystals

In recent years, investigations of the phase transition behavior of semiconducting nanoparticles under high pressure has attracted increasing attention due to their potential applications in sensors, electronics, and optics. However, current understanding of how the size of nanoparticles influences this pressure-dependent property is somewhat lacking. In particular, phase behaviors of semiconducting CdS nanoparticles under high pressure have not been extensively reported. Therefore, in this work, CdS nanoparticles of different sizes are used as a model system to investigate particle size effects on high-pressure-induced phase transition behaviors. In particular, 7.5, 10.6, and 39.7 nm spherical CdS nanoparticles are synthesized and subjected to controlled high pressures up to 15 GPa in a diamond anvil cell. Analysis of all three nanoparticles using in-situ synchrotron wide-angle X-ray scattering (WAXS) data shows that phase transitions from wurtzite to rocksalt occur at higher pressures than for bulk material. Bulk modulus calculations not only show that the wurtzite CdS nanomaterial is more compressible than rocksalt, but also that the compressibility of CdS nanoparticles depends on their particle size. Furthermore, sintering of spherical nanoparticles into nanorods was observed for the 7.5 nm CdS nanoparticles. Our results provide new insights into the fundamental properties of nanoparticles under high pressure that will inform designs of new nanomaterial structures for emerging applications.

Meng, Lingyao↗
DOE OSTI2024

Soft matter approach for creating novel protein hydrogels using fractal whey protein assemblies as building blocks

In this study, mesoscopic sized fractal assembly (FA) particles were prepared using whey protein isolate; the coldset gelation properties of FA particles were investigated in-depth. Two types of FA particles (FA -62 and FA -90) with different mean sizes were synthesized through controlled thermal treatment of whey protein solutions at two concentrations (62 g/L and 90 g/L). Particle characteristics e.g. hydrodynamic radius, ζ-potential and surface hydrophobicity were dependent on pH and structure of FA. Transmission electron microscopy (TEM) observation confirmed the fractal morphology and small-angle X-ray scattering (SAXS) analysis suggested an internal fractal structure for the obtained FA particles. Eight cold-set FA protein gels (2 % w/v) were manufactured by controlling two gelling factors at two levels: pH (5.8 and 7.0) and Ca 2+ content (5 mM and 10 mM). Rheological characteristics in the large amplitude oscillatory shear regime revealed that pH 7.0 gels were softer and elastic while pH 5.8 gels were harder and brittle. Rheology Pipkin diagrams demonstrated that the strain softening/stiffening and the shear-thinning/thickening behaviors may be fine-tuned by manipulating the key gelation factors: e.g. FA structure, pH, and Ca 2+ . The entrainment speed-dependent friction coefficient curves showed that at an intermediate velocity regime (6-250 mm s -1 ), FA -90 particles induced hydrogels had superior lubrication effect compared to FA -62 gels. Further, this work demonstrated a food structure design approach regarding tuning texture and lubrication properties of protein gels without changing protein content and protein composition. The optimized protein hydrogels may be used as texturizer for "cleaner label" food formulas and/or as delivery system for carrying micronutrients.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Optimizing LSST observing strategy for weak lensing systematics

ABSTRACT The Legacy Survey of Space and Time (LSST) survey will provide unprecedented statistical power for measurements of dark energy. Consequently, controlling systematic uncertainties is becoming more important than ever. The LSST observing strategy will affect the statistical uncertainty and systematics control for many science cases; here, we focus on weak lensing (WL) systematics. The fact that the LSST observing strategy involves hundreds of visits to the same sky area provides new opportunities for systematics mitigation. We explore these opportunities by testing how different dithering strategies (pointing offsets and rotational angle of the camera in different exposures) affect additive WL shear systematics on a baseline operational simulation, using the ρ-statistics formalism. Some dithering strategies improve systematics control at the end of the survey by a factor of up to ∼3–4 better than others. We find that a random translational dithering strategy, applied with random rotational dithering at every filter change, is the most effective of those strategies tested in this work at averaging down systematics. Adopting this dithering algorithm, we explore the effect of varying the area of the survey footprint, exposure time, number of exposures in a visit, and exposure to the Galactic plane. We find that any change that increases the average number of exposures (in filters relevant to WL) reduces the additive shear systematics. Some ways to achieve this increase may not be favorable for the WL statistical constraining power or for other probes, and we explore the relative trade-offs between these options given constraints on the overall survey parameters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Conformational and oligomeric states of SPOP from small-angle X-ray scattering and molecular dynamics simulations

Speckle-type POZ protein (SPOP) is a substrate adaptor in the ubiquitin proteasome system, and plays important roles in cell-cycle control, development, and cancer pathogenesis. SPOP forms linear higher-order oligomers following an isodesmic self-association model. Oligomerization is essential for SPOP’s multivalent interactions with substrates, which facilitate phase separation and localization to biomolecular condensates. Structural characterization of SPOP in its oligomeric state and in solution is, however, challenging due to the inherent conformational and compositional heterogeneity of the oligomeric species. Here, we develop an approach to simultaneously and self-consistently characterize the conformational ensemble and the distribution of oligomeric states of SPOP by combining small-angle X-ray scattering (SAXS) and molecular dynamics (MD) simulations. We build initial conformational ensembles of SPOP oligomers using coarse-grained molecular dynamics simulations, and use a Bayesian/maximum entropy approach to refine the ensembles, along with the distribution of oligomeric states, against a concentration series of SAXS experiments. Our results suggest that SPOP oligomers behave as rigid, helical structures in solution, and that a flexible linker region allows SPOP’s substrate-binding domains to extend away from the core of the oligomers. Additionally, our results are in good agreement with previous characterization of the isodesmic self-association of SPOP. In the future, the approach presented here can be extended to other systems to simultaneously characterize structural heterogeneity and self-assembly.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Measurements of the groomed and ungroomed jet angularities in pp collisions at $ \sqrt{s}$ = 5.02 TeV

The jet angularities are a class of jet substructure observables which characterize the angular and momentum distribution of particles within jets. These observables are sensitive to momentum scales ranging from perturbative hard scatterings to nonperturbative fragmentation into final-state hadrons. We report measurements of several groomed and ungroomed jet angularities in pp collisions at $\sqrt{s}$ = 5.02 TeV with the ALICE detector. Jets are reconstructed using charged particle tracks at midrapidity (|η| < 0.9). The anti-$k_T$ algorithm is used with jet resolution parameters R = 0.2 and R = 0.4 for several transverse momentum $p^{ch jet}_{T}$ intervals in the 20–100 GeV/c range. Using the jet grooming algorithm Soft Drop, the sensitivity to softer, wide-angle processes, as well as the underlying event, can be reduced in a way which is well-controlled in theoretical calculations. We report the ungroomed jet angularities, λ α , and groomed jet angularities, λ α,g , to investigate the interplay between perturbative and nonperturbative effects at low jet momenta. Various angular exponent parameters α = 1, 1.5, 2, and 3 are used to systematically vary the sensitivity of the observable to collinear and soft radiation. Results are compared to analytical predictions at next-to-leading-logarithmic accuracy, which provide a generally good description of the data in the perturbative regime but exhibit discrepancies in the nonperturbative regime. Moreover, these measurements serve as a baseline for future ones in heavy-ion collisions by providing new insight into the interplay between perturbative and nonperturbative effects in the angular and momentum substructure of jets. They supply crucial guidance on the selection of jet resolution parameter, jet transverse momentum, and angular scaling variable for jet quenching studies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

High-power non-perturbative laser delivery diagnostics at the final focus of 100-TW-class laser pulses

Controlling the delivery of multi-terawatt and petawatt laser pulses to final focus, both in position and angle, is critical to many laser applications such as optical guiding, laser–plasma acceleration, and laser-produced secondary radiation. We present an online, non-destructive laser diagnostic, capable of measuring the transverse position and pointing angle at focus. The diagnostic is based on a unique double-surface-coated wedged-mirror design for the final steering optic in the laser line, producing a witness beam highly correlated with the main beam. By propagating low-power kilohertz pulses to focus, we observed spectra of focus position and pointing angle fluctuations dominated by frequencies below 70 Hz. The setup was also used to characterize the excellent position and pointing angle correlation of the 1 Hz high-power laser pulses to this low-power kilohertz pulse train, opening a promising path to fast non-perturbative feedback concepts even on few-hertz-class high-power laser systems.

47 OTHER INSTRUMENTATION↗