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At least 1,117 records · Page 62

Spatial Progression of Polysulfide Reactivity with Lithium Nitrate in Li–Sulfur Batteries

LiNO 3 is a commonly used electrolyte additive in Li-S batteries, but the intricacies of its stabilizing effect on these batteries are not well-understood due to the complex chemical nature of Li-S electrolytes. This complexity often hampers clear characterization and interpretation of data. In this study, we explore the reactivity of LiNO 3 in Li-S batteries through in operando sulfur K-edge spectroscopy. To remove ambiguities, a sulfur-free electrolyte with LiNO 3 as the sole salt is used. This allows a precise elucidation of the reaction mechanism between LiNO 3 and polysulfides. Here, we observe that the reaction is chemical in nature and progresses spatially, influenced by the polysulfide concentration gradient across the electrolyte. Polysulfides are electrochemically generated in situ on the cathode side, leading to high local concentration. As a result, they cannot be fully oxidized by LiNO 3 and forms sulfites initially which are gradually further oxidized into sulfonates and sulfates. Conversely, polysulfides on the anode side have lower local concentration as they are not generated in situ but diffused from the cathode side. Their reaction with LiNO 3 leads to highly oxidized species like sulfonates and sulfates. These reaction products are not reduced during electrochemically cycling, suggesting their capabilities of passivating the electrodes and contributing to the cycle stabilities of Li-S batteries.

25 ENERGY STORAGE↗

Structural Dynamics in UV Curable Resins Resolved by In Situ 3D Printing X-ray Photon Correlation Spectroscopy

Additive manufacturing (AM) is a promising technique to rapidly produce polymeric materials into complex 3-dimensional (3D) geometries. While AM is widespread and relevant for a range of applications, implementation in industry has outpaced our fundamental understanding of polymer dynamics and structure development during the printing process. Characterization and quantification of such dynamics is necessary to optimize final material properties and design future materials and processes for 3D printing. Here, we utilize X-ray photon correlation spectroscopy (XPCS) to measure spatial and time-resolved, out-of-equilibrium dynamics during direct ink write (DIW) 3D printing. Specifically, we investigate the progression of structural dynamics in a dual cure (UV/thermal) nanocomposite during and directly after printing. As the filament is printed and cured in situ, the relaxation processes of the cross-linking network are measured through the dynamics of inorganic filler particles. The characteristic relaxation time of the dynamics is calculated through the intensity–intensity autocorrelation function g 2 and directly correlated to the printing process parameters, such as printhead velocity and UV light intensity. The time-resolved evolution of nanoscale dynamics follows a power-law dependence as the filament is cured. Additionally, bulk rheological characterizations reveal the macroscopic solidification of the resin, providing correlation of material properties across a wide range of length and time scales. Overall, the measurement of multiscale, out-of-equilibrium dynamics provides insight into the development of structure in polymer nanocomposite filaments during 3D printing and is used to further understand the influence of such parameters on the AM process.

36 MATERIALS SCIENCE↗

Simulation-based characterization of the variability of earthquake risk to buildings in the near-field

Recent advancements in high performance computing platforms and computational workflow for regional-scale simulations are enabling unprecedented modeling of fault-to-structure earthquake processes. Regional simulations resolving ground motions at frequencies relevant to engineered systems are becoming computationally viable and provide a new capability to improve understanding of the geographical distribution and intensity of risk to buildings and critical infrastructure. As computational capabilities advance, it is essential to move beyond illustrative single rupture realizations for scenario earthquake events towards the development of a full suite of rupture realizations that appropriately characterize the range of risk to building systems. The work described in this article investigates the application of a suite of fault rupture realizations with the objective of assessing near-fault, site-specific seismic demand variability for building structures. A representative high-performance regional-scale computational model is utilized to execute ground motion and building response simulations based on 18 kinematic rupture realizations of an M7 strike-slip scenario earthquake. The fault rupture models for the scenario earthquake are created by systematically perturbing the hypocenter location and stochastically generating rupture parameters (slip, rise time, rake angle) to represent a breadth of ground motion intensities resulting from the spatial and temporal variabilities of an earthquake rupture process. The resulting seismic demand variability for three-story (short period) and forty-story (long period) steel moment-resisting frame buildings is characterized in terms of the median and distribution of peak inter-story drift ratio for a range of near-fault sites. The full suite of 18 fault rupture realizations and approximately 280,000 nonlinear dynamic building simulations indicate that the three-story building undergoes higher median seismic demand and significantly greater variability of demand at a given site than the forty-story building, which has important implications for the level of certainty in predicting building performance during an earthquake. The simulations performed provide deeper insight into the relationship between fault rupture parameterization and building response, which is essential information for developing a representative suite of rupture realizations for specific earthquake scenarios.

58 GEOSCIENCES↗

Polynomial Chaos Characterization of Uncertainty in Multiscale Models and Behavior of Carbon Reinforced Composites

Design of non-crimp fabric (NCF) composites entails major challenges pertaining to (1) the complex fine-scale morphology of the constituents, (2) the manufacturing-produced inconsistency of this morphology spatially, and thus (3) the ability to build reliable, robust, and efficient computational surrogate models to account for this complex nature. Traditional approaches to construct computational surrogate models have been to average over the fluctuations of the material properties at different scale lengths. This fails to account for the fine-scale features and fluctuations in morphology, material properties of the constituents, as well as fine-scale phenomena such as damage and cracks. In addition, it fails to accurately predict the scatter in macroscopic properties, which is vital to the design process and behavior prediction. In this work, funded in part by the Department of Energy, we present an approach for addressing these challenges by relying on polynomial chaos representations of both input parameters and material properties at different scales. Moreover, we emphasize the efficiency and robustness of integrating the polynomial chaos expansion with multiscale tools to perform multiscale assimilation, characterization, propagation, and prediction, all of which are necessary to construct the data-driven surrogate models required to design under the uncertainty of composites. These data-driven constructions provide an accurate map from parameters (and their uncertainties) at all scales and the system-level behavior relevant for design. While this perspective is quite general and applicable to all multiscale systems, NCF composites present a particular hierarchy of scales that permits the efficient implementation of these concepts.

42 ENGINEERING↗

Multiscale experimental characterization of coatings on ceramics: A case study of tungsten on SiC

State-of-the-art transmission Kikuchi diffraction (TKD) and high-speed nano-indentation were combined with glow-discharge optical emission spectroscopy (GDOES), transmission electron microscopy (TEM) and micro-cantilever testing to characterize microstructures and mechanical properties of coatings on a ceramic substrate. The goal was to develop a multiscale experimental characterization method to assess the coating/substrate couple. A tungsten coated silicon carbide substrate was the system used for this development. The combination of GDOES, TEM and TKD enabled precise phase identification in the system, while TKD provided superior spatial resolution for phase identification. Here micro-cantilever tests were able to measure adhesion strength, with support from high-speed nano-indentation which enabled rapid modulus and hardness determination over relatively large areas.

36 MATERIALS SCIENCE↗

Properties of ionized outflows in MaNGA DR2 galaxies

ABSTRACT We present the results from a systematic search and characterization of ionized outflows in nearby galaxies using the data from the second Data Release of the Mapping Nearby Galaxies at Arecibo Point Observatory (MaNGA) Survey (DR2; >2700 galaxies, z ≤ 0.015). Using the spatially resolved spectral information provided by the MANGA data, we have identified ∼5200 H α-emitting regions across the galaxies and searched for signatures of ionized outflows. We find evidence for ionized outflows in 105 regions from 103 galaxies, roughly 7 per cent of all the H α-emitting galaxies identified in this work. Most of the outflows are nuclear, with only two cases detected in off-nuclear regions. Our analysis allows us to study ionized outflows in individual regions with star formation rates (SFRs) down to ∼0.01 M⊙ yr−1, extending the ranges probed by previous works. The kinematics of the outflowing gas is strongly linked to the type of ionization mechanism: regions characterized by low-ionization emission region emission (LIER) host the outflows with more extreme kinematics (FWHMbroad ∼ 900 km s−1), followed by those originated in active galactic nuclei (550 km s−1), ‘Intermediate’ (450 km s−1), and star-forming (350 km s−1) regions. Moreover, in most of the outflows we find evidence for gas ionized by shocks. We find a trend for higher outflow kinematics towards larger stellar masses of the host galaxies but no significant variation as a function of star formation properties within the SFR regime we probe (∼0.01–10 M⊙ yr−1). Our results also show that the fraction of outflowing gas that can escape from galaxies decreases towards higher dynamical masses, contributing to the preservation of the mass–metallicity relation by regulating the amount of metals in galaxies. Finally, assuming that the extensions of the outflows are significantly larger than the individual star-forming regions, as found in previous works, our results also support the presence of star formation within ionized outflows, as recently reported by Maiolino et al. (2017) and Gallagher et al. (2018).

Rodríguez del Pino, Bruno↗

Importance of Martensite Spatial Distribution at Large Volume Fractions in Imparting Ductility in High-Strength Dual-Phase Steel

Controlled austenite decomposition in a cold-rolled steel was carried out in a hot-dip process simulator with different inter-critical annealing process parameters to produce dual-phase steel consisting of martensite phase fraction above 50%. The evolving microstructure was characterized by using scanning electron microscope and electron backscattered diffraction techniques. Macro- and micro-texture was characterized by using x-ray diffraction and electron backscattered diffraction techniques, respectively. Uniaxial tensile deformation showed a very good combination of ultra-high strength above 900 MPa with uniform elongation of above 7%. An anomalous increase in ductility was observed for steel with high martensite volume fraction of 62.2% compared to that of lower fraction of 52.3%, indicating the influence of size and spatial distribution arrangement of ferrite and martensite phases. The enhancement in the ductility with high strength was attributed to the improved plastic deformability of hard fine martensite phase along with fine ferrite surrounding it. The nature of micro- and macro-texture was also found to affect strain partitioning compatibility between ferrite and martensite in this study.

36 MATERIALS SCIENCE↗

Spatially resolved phase transformation mapping in 410 stainless steel during additive manufacturing visualized via real-time infrared data

Here, in this study, we demonstrate that spatially resolved cooling curves derived from real-time infrared (IR) thermography during additive manufacturing (AM) can capture spatial variations in phase transformation temperatures through cooling curve analysis (CCA). Using this approach, we show that during laser hot-wire deposition of 410 stainless steel (410SS), the martensite start temperature (M s ) evolves dynamically throughout the build. The M s temperature is spatially nonuniform, ranging from 185 °C to 348 °C, with the lowest values toward the build center and higher values toward the upper region of the deposit. In the lower portion of the build, no M s inflection is detected via CCA, consistent with transformation occurring earlier during thermal cycling followed by tempering during subsequent thermal cycles. These trends in M s are corroborated by characterizing the microstructure by electron backscatter diffraction (EBSD). Traditionally, M s is assumed to be constant, and a single interpass temperature is applied during both deposition and residual stress modeling. Our results demonstrate that IR-derived cooling curves provide a route to spatially and temporally resolved transformation temperature tracking for dynamic interpass control and improved residual-stress modeling.

Additive manufacturing↗

INVESTIGATING THE MASS SEGREGATION PROCESS IN GLOBULAR CLUSTERS WITH BLUE STRAGGLER STARS: THE IMPACT OF DARK REMNANTS

We present the results of a set of N -body simulations aimed at exploring how the process of mass segregation (as traced by the spatial distribution of blue straggler stars, BSSs) is affected by the presence of a population of heavy dark remnants (as neutron stars and black holes (BHs)). To this end, clusters characterized by different initial concentrations and different fractions of dark remnants have been modeled. We find that an increasing fraction of stellar-mass BHs significantly delay the mass segregation of BSSs and the visible stellar component. In order to trace the evolution of BSS segregation, we introduce a new parameter ( A {sup +}), which can be easily measured when the cumulative radial distribution of these stars and a reference population are available. Our simulations show that A {sup +} might also be used as an approximate indicator of the time remaining to the core collapse of the visible component.

79 ASTRONOMY AND ASTROPHYSICS↗

MULTI-TECHNIQUE CHARACTERIZATION OF SUPERCONDUCTING MATERIALS FOR PARTICLE ACCELERATOR APPLICATIONS

We investigated the performance limitations of superconducting radio-frequency (SRF) cavities and materials using multiple experimental techniques. In particular, this study focuses on understanding the surface properties of nitrogen-doped Nb cavities and super?conducting thin films with higher Tc such as Nb3Sn. The main goal of this work is to use different techniques to better understand each aspect of the complex loss mechanism in superconductors to further improve the already highly efficient SRF cavities. Nitrogen doping applied to a Nb SRF cavity significantly improves the quality factor Q0 compared to a conventional Nb cavity, at an expense of reduced maximum accelerating gradient. The early quench mechanism was analyzed by using temperature maps before and during the quenching. The temperature maps revealed insignificant heating before the quench, and we concluded that nitrogen doping reduces critical magnetic fields in local regions, leading to premature quenching. To understand the origin of the increasing Q0 with the rf field, the density of states (DOS) of cold spots from nitrogen-doped and standard cavities were measured and analyzed using scanning tunneling microscopy. The results suggested that nitrogen doping reduces the spatial inhomogeneity of superconducting properties and shrinks the metallic suboxide layers, which tunes the DOS in such a way as to produce the field-induced reduction in the surface resistance. To characterize SRF thin films, an experimental setup for measuring a coplanar waveguide (CPW) resonator was developed and tested. A surface impedance measurement of the Nb film showed good agreement with the BCS calculation. The preliminary results from measurements of Nb3Sn and NbTiN films are also presented here. The nonlinear Meissner effect was investigated in Nb3Sn film CPW resonators by mea?suring the resonant frequency as a function of a parallel magnetic field. Contrary to a conventional quadratic dependence of the penetration depth ?(B) on the applied magnetic field B, as expected in s-wave superconductors, nearly a linear increase of ?(B) with B was observed. It was concluded that this behavior of ?(B) is due to weakly linked grain bound?aries on the polycrystalline Nb3Sn films, which can mimic the NLME expected in a clean d-wave superconductor.

Makita, Junki↗

Results from a controlled depleted uranium metal casting experiment designed to investigate nuclear Forensic Radiochronometry Signatures

The accurate interpretation of uranium metal 230 Th/ 234 U and 231 Pa/ 235 U radiochronometry model ages requires an understanding of how uranium parent nuclides and decay progeny ( 230 Th and 231 Pa) behave during uranium metal casting. In order to directly measure the spatial distribution of 230 Th and 231 Pa in uranium metal before and after vacuum induction melting (VIM), Los Alamos National Laboratory identified uranium metal feedstock, characterized the metal feedstock, conducted a controlled casting experiment of an approximately 120 kg uranium metal rod, and characterized the cast metal. Herein this study presents radiochronometry results and quantified 230 Th and 231 Pa VIM separation factors from bulk uranium.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

The Role of Chemistry in Fracture Pattern Development and Opportunities to Advance Interpretations of Geological Materials

Abstract Fracture pattern development has been a challenging area of research in the Earth sciences for more than 100 years. Much has been learned about the spatial and temporal complexity inherent to these systems, but severe challenges remain. Future advances will require new approaches. Chemical processes play a larger role in opening‐mode fracture pattern development than has hitherto been appreciated. This review examines relationships between mechanical and geochemical processes that influence the fracture patterns recorded in natural settings. For fractures formed in diagenetic settings (~50 to 200 °C), we review evidence of chemical reactions in fractures and show how a chemical perspective helps solve problems in fracture analysis. We also outline impediments to subsurface pattern measurement and interpretation, assess implications of discoveries in fracture history reconstruction for process‐based models, review models of fracture cementation and chemically assisted fracture growth, and discuss promising paths for future work. To accurately predict the mechanical and fluid flow properties of fracture systems, a processes‐based approach is needed. Progress is possible using observational, experimental, and modeling approaches that view fracture patterns and properties as the result of coupled mechanical and chemical processes. A critical area is reconstructing patterns through time. Such data sets are essential for developing and testing predictive models. Other topics that need work include models of crystal growth and dissolution rates under geological conditions, cement mechanical effects, and subcritical crack propagation. Advances in machine learning and 3‐D imaging present opportunities for a mechanistic understanding of fracture formation and development, enabling prediction of spatial and temporal complexity over geologic timescales. Geophysical research with a chemical perspective is needed to correctly identify and interpret fractures from geophysical measurements during site characterization and monitoring of subsurface engineering activities.

58 GEOSCIENCES↗

Accurate prediction of mega-electron-volt electron beam properties from UED using machine learning

To harness the full potential of the ultrafast electron diffraction (UED) and microscopy (UEM), we must know accurately the electron beam properties, such as emittance, energy spread, spatial-pointing jitter, and shot-to-shot energy fluctuation. Owing to the inherent fluctuations in UED/UEM instruments, obtaining such detailed knowledge requires real-time characterization of the beam properties for each electron bunch. While diagnostics of these properties exist, they are often invasive, and many of them cannot operate at a high repetition rate. Here, we present a technique to overcome such limitations. Employing a machine learning (ML) strategy, we can accurately predict electron beam properties for every shot using only parameters that are easily recorded at high repetition rate by the detector while the experiments are ongoing, by training a model on a small set of fully diagnosed bunches. Applying ML as real-time noninvasive diagnostics could enable some new capabilities, e.g., online optimization of the long-term stability and fine single-shot quality of the electron beam, filtering the events and making online corrections of the data for time-resolved UED, otherwise impossible. This opens the possibility of fully realizing the potential of high repetition rate UED and UEM for life science and condensed matter physics applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Simulated performance of the optical Thomson scattering diagnostic designed for the National Ignition Facility

An optical Thomson scattering diagnostic has been designed for the National Ignition Facility to characterize under-dense plasmas. We report on the design of the system and the expected performance for different target configurations. The diagnostic is designed to spatially and temporally resolve the Thomson scattered light from laser driven targets. The diagnostic will collect scattered light from a 50 × 50 × 200 μm volume. The optical design allows operation with different probe laser wavelengths. A deep-UV probe beam (λ{sub 0} = 210 nm) will be used to Thomson scatter from electron plasma densities of ∼5 × 10{sup 20} cm{sup −3} while a 3ω probe will be used for plasma densities of ∼1 × 10{sup 19} cm{sup −3}. The diagnostic package contains two spectrometers: the first to resolve Thomson scattering from ion acoustic wave fluctuations and the second to resolve scattering from electron plasma wave fluctuations. Expected signal levels relative to background will be presented for typical target configurations (hohlraums and a planar foil).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Optimization of the size and shape of the scanning aperture in autocollimator-based deflectometric profilometers

Deflectometric profilometers based on industrial electronic autocollimators (ACs), as the ELCOMAT-3000, have become indispensable tools for precision form measurements of optical surfaces. A growing number of labs at synchrotron and free electron laser x-ray facilities are going for BESSY-II NOM-like versions of the AC-based profilometers. These tools have proven capable of characterizing state-of-the-art aspherical x-ray optics with an accuracy on the level of 100 nrad (root-mean-square) over the spatial frequency range limited by the size of the aperture used in the profilometer. Normally, a round aperture with a diameter of about 2.5 mm is used. Previous investigations have shown that with the optimally aligned 2.5-mm aperture, the spatial resolution of a NOM-like profilometer corresponding to the first zero-crossing of the optical transform function (OTF) is ~1.2 mm. In this paper, we investigate the performance of an AC ELCOMAT-3000 for a slope profilometer with different aperture sizes and shapes. The results of angular calibration of the AC equipped with circular and rectangular apertures placed at different distances from the AC are discussed. The calibration was performed at the Physikalisch-Technische Bundesanstalt using the original experimental arrangements, also discussed in the paper. The OTF measurements with the specially developed test sample with chirped surface slope profiles were performed at the Advanced Light Source X-Ray Optics Laboratory (XROL) in application to a new optical surface measuring system under development at the XROL. In the OTF measurements, we have shown that application of a rectangular aperture with dimensions of 1.5 mm × 3 mm improves the spatial resolution in the tangential direction by a factor of ~1.4 compared to that of the standard circular aperture of 2.5-mm diameter. We postulate that the conclusions of our investigations are crucial for reaching fundamental metrological limits in deflectometric profilometry utilizing state-of-the-art electronic autocollimators.

47 OTHER INSTRUMENTATION↗

Invited article: X-ray phase contrast imaging in inertial confinement fusion and high energy density research

X-ray phase contrast imaging (XPCI) provides enhanced image contrast beyond absorption-based x-ray imaging alone due to refraction and diffraction from gradients in the object material density. It is sensitive to small variations in density, such as internal voids, cracks, grains, defects, and material flow, as well as to stronger density variations such as from a shock wave. Beyond its initial use in biology and materials science, XPCI is now routinely used in inertial confinement fusion (ICF) and high energy density (HED) research, first to characterize ICF capsules and targets, and later applied in dynamic experiments, where coherent x-ray sources, ultrafast x-ray pulses, and high temporal and spatial resolution are required. In this Review article, XPCI image formation theory is presented, its diverse use in ICF and HED research is discussed, the unique requirements for ultrafast XPCI imaging are given, as well as current challenges and issues in its use.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Modeling and observations of North Atlantic cyclones: Implications for U.S. Offshore wind energy

To meet the Biden-Harris administration's goal of deploying 30 GW of offshore wind power by 2030 and 110 GW by 2050, expansion of wind energy into U.S. territorial waters prone to tropical cyclones (TCs) and extratropical cyclones (ETCs) is essential. This requires a deeper understanding of cyclone-related risks and the development of robust, resilient offshore wind energy systems. Here, this paper provides a comprehensive review of state-of-the-science measurement and modeling capabilities for studying TCs and ETCs, and their impacts across various spatial and temporal scales. We explore measurement capabilities for environments influenced by TCs and ETCs, including near-surface and vertical profiles of critical variables that characterize these cyclones. The capabilities and limitations of Earth system and mesoscale models are assessed for their effectiveness in capturing atmosphere–ocean–wave interactions that influence TC/ETC-induced risks under a changing climate. Additionally, we discuss microscale modeling capabilities designed to bridge scale gaps from the weather scale (a few kilometers) to the turbine scale (dozens to a few meters). We also review machine learning (ML)-based, data-driven models for simulating TC/ETC events at both weather and wind turbine scales. Special attention is given to extreme metocean conditions like extreme wind gusts, rapid wind direction changes, and high waves, which pose threats to offshore wind energy infrastructure. Finally, the paper outlines the research challenges and future directions needed to enhance the resilience and design of next-generation offshore wind turbines against extreme weather conditions.

17 WIND ENERGY↗

Development of a broadband hard x-ray radiography platform for pulsed-power experiments

In this article, we develop and demonstrate a broadband hard x-ray radiography platform at the Zebra Pulsed Power Laboratory that integrates point-projection radiography, bremsstrahlung measurements, and hard x-ray pinhole imaging, designed to diagnose current-driven, cylindrically compressed matter. Initial laser-pulsed-power coupled experiments revealed that intense background radiation generated during 1 MA Zebra current shots overwhelmed laser-produced hard x-rays, obscuring radiographic images. Using combined spectral and spatial diagnostics, we identify energetic electrons accelerated by return currents as the dominant source of background hard x-rays, with electron energies inferred to be 3–4 MeV based on Monte Carlo simulations, and demonstrate mitigation through modifications to the radiation shielding and return-current configuration. The diagnostic platform was validated using a wire-pinch hard x-ray source, allowing radiographs of static 1-mm-diameter aluminum wires to be obtained while simultaneously measuring x-ray source spectra and spatial emission distributions within a single shot. Measured wire transmission profiles were quantitatively reconstructed using radiation transport simulations that incorporate an experimentally inferred two-temperature exponential x-ray spectrum from bremsstrahlung signal analysis and spatially distributed emission sources identified by pinhole imaging. Agreement between measured and simulated transmission profiles demonstrates the validity of the radiographic and x-ray source characterization approach, establishing this diagnostic platform as a promising tool for diagnosing magnetically driven, high-density plasmas relevant to warm dense matter and inertial fusion energy research.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗