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DOE OSTI2016

ALMA reveals weak [N ii] emission in “typical” galaxies and intense starbursts at z = 5-6

We report interferometric measurements of [N ii] 205 μm fine-structure line emission from a representative sample of three galaxies at z = 5–6 using the Atacama Large (sub)Millimeter Array (ALMA). These galaxies were previously detected in [C ii] and far-infrared continuum emission and span almost two orders of magnitude in star formation rate (SFR). Our results show at least two different regimes of ionized interstellar medium properties for galaxies in the first billion years of cosmic time, separated by their L{sub [CII]}/L{sub [NII]} ratio. We find extremely low [N ii] emission compared to [C ii] (L{sub [CII]}/L{sub [NII]}=68{sub −28}{sup +200}) from a “typical” ∼L{sub UV}{sup ∗} star-forming galaxy, likely directly or indirectly (by its effect on the radiation field) related to low dust abundance and low metallicity. The infrared-luminous modestly star-forming Lyman-break galaxy (LBG) in our sample is characterized by an ionized-gas fraction (L{sub [CII]}/L{sub [NII]}≲20) typical of local star-forming galaxies and shows evidence for spatial variations in its ionized-gas fraction across an extended gas reservoir. The extreme SFR, warm and compact dusty starburst AzTEC-3 shows an ionized fraction higher than expected given its SFR surface density (L{sub [CII]}/L{sub [NII]}=22±8) suggesting that [N ii] dominantly traces a diffuse ionized medium rather than star-forming H ii regions in this type of galaxy. This highest redshift sample of [N ii] detections provides some of the first constraints on ionized and neutral gas modeling attempts and on the structure of the interstellar medium at z = 5–6 in “normal” galaxies and starbursts.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Storage Futures Study - Distributed Solar and Storage Outlook: Methodology and Scenarios

This presentation discusses the fourth report in NREL’s Storage Futures Study (SFS) publications. The SFS is a multiyear research project that explores the role and impact of energy storage in the evolution and operation of the U.S. power sector. The SFS is designed to examine the potential impact of energy storage technology advancement on the deployment of utility-scale storage and the adoption of distributed storage, and the implications for future power system infrastructure investment and operations. This report describes the expanded capabilities of the Distributed Generation Market Demand (dGen) model to analyze the economics of distributed (behind-the-meter) PV paired with battery storage systems and presents projections of adoption for the contiguous United States out to 2050 under a range of scenarios. These scenarios use technology cost and performance assumptions consistent with the National Renewable Energy Laboratory’s 2020 Standard Scenarios paired with updated battery cost projections and existing policies. Additional scenarios evaluate sensitivities to the value of backup power and DER compensation mechanisms, collectively characterizing the future potential for behind-the-meter storage and identifying key drivers of adoption. Adoption projections of DER and battery storage at high spatial and temporal resolution, as presented in this report, can enable informed planning of technical infrastructure that can help planners capture the benefits and mitigate challenges to support the ongoing trend toward distributed electricity generation.

backup power↗

DOE OSTI2015

A Spatial-frequency Method for Analyzing Antenna-to-Probe Interactions in Near-field Antenna Measurements

The measurement of the radiation characteristics of an antenna on a near-field range requires that the antenna under test be located very close to the near-field probe. Although the direct coupling is utilized for characterizing the near field, this close proximity also presents the opportunity for significant undesired interactions (for example, reflections) to occur between the antenna and the near-field probe. When uncompensated, these additional interactions will introduce error into the measurement, increasing the uncertainty in the final gain pattern obtained through the near-field-to-far-field transformation. Quantifying this gain-uncertainty contribution requires quantifying the various additional interactions. A method incorporating spatial-frequency analysis is described which allows the dominant interaction contributions to be easily identified and quantified. In addition to identifying the additional antenna-to-probe interactions, the method also allows identification and quantification of interactions with other nearby objects within the measurement room. Because the method is a spatial-frequency method, wide-bandwidth data is not required, and it can be applied even when data is available at only a single temporal frequency. This feature ensures that the method can be applied to narrow-band antennas, where a similar time-domain analysis would not be possible.

47 OTHER INSTRUMENTATION↗

DOE OSTI2021

Europium-doped barium chloride storage phosphor plate synthesized by pulsed laser deposition

In computed radiography, scattering of the stimulation light by the storage phosphor crystals in the imaging plates negatively impacts spatial resolution. Storage phosphor plates with thinner phosphor layers have been developed to reduce scattering distance and increase spatial resolution, although at the expense of reduced x-ray absorption. The authors hypothesize that a transparent or translucent nanostructured film, containing a much higher percentage of storage phosphor crystals than achievable in bulk glass-ceramic materials made by conventional methods, may have acceptable photostimulated luminescence efficiency and imaging performance characteristics greater than commercial imaging plates. Films were produced via pulsed laser deposition by alternating target materials of the storage phosphor BaCl 2 :Eu 2+ and either silica or silicon. X-ray diffraction and photoluminescence characterization were conducted to confirm the presence of BaCl 2 :Eu 2+ crystallites. The films were able to store optical data and be read out to produce x-ray radiographs demonstrating 50-mu m spatial resolution. The performance of the experimental storage phosphor plates was compared to commercially available imaging plates. The authors demonstrate for the first time the synthesis of a glass-ceramic imaging plate for computed radiography by pulsed laser deposition.

36 MATERIALS SCIENCE↗

DOE OSTI2016

THE GINI COEFFICIENT AS A MORPHOLOGICAL MEASUREMENT OF STRONGLY LENSED GALAXIES IN THE IMAGE PLANE

Characterization of the morphology of strongly lensed galaxies is challenging because images of such galaxies are typically highly distorted. Lens modeling and source plane reconstruction is one approach that can provide reasonably undistorted images from which morphological measurements can be made, though at the expense of a highly spatially variable telescope point-spread function (PSF) when mapped back to the source plane. Unfortunately, modeling the lensing mass is a time- and resource-intensive process, and in many cases there are too few constraints to precisely model the lensing mass. If, however, useful morphological measurements could be made in the image plane rather than the source plane, it would bypass this issue and obviate the need for a source reconstruction process for some applications. We examine the use of the Gini coefficient as one such measurement. Because it depends on the cumulative distribution of the light of a galaxy, but not the relative spatial positions, the fact that surface brightness is conserved by lensing means that the Gini coefficient may be well preserved by strong gravitational lensing. Through simulations, we test the extent to which the Gini coefficient is conserved, including by effects due to PSF convolution and pixelization, to determine whether it is invariant enough under lensing to be used as a measurement of galaxy morphology that can be made in the image plane.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

COMPARING [C ii], H i, AND CO DYNAMICS OF NEARBY GALAXIES

The H i and CO components of the interstellar medium (ISM) are usually used to derive the dynamical mass M{sub dyn} of nearby galaxies. Both components become too faint to be used as a tracer in observations of high-redshift galaxies. In those cases, the 158 μm line of atomic carbon ([C ii]) may be the only way to derive M{sub dyn}. As the distribution and kinematics of the ISM tracer affects the determination of M{sub dyn}, it is important to quantify the relative distributions of H i, CO, and [C ii]. H i and CO are well-characterized observationally, however, for [C ii] only very few measurements exist. Here we compare observations of CO, H i, and [C ii] emission of a sample of nearby galaxies, drawn from the HERACLES, THINGS, and KINGFISH surveys. We find that within R {sub 25}, the average [C ii] exponential radial profile is slightly shallower than that of the CO, but much steeper than the H i distribution. This is also reflected in the integrated spectrum (“global profile”), where the [C ii] spectrum looks more like that of the CO than that of the H i. For one galaxy, a spectrally resolved comparison of integrated spectra was possible; other comparisons were limited by the intrinsic line-widths of the galaxies and the coarse velocity resolution of the [C ii] data. Using high-spectral-resolution SOFIA [C ii] data of a number of star forming regions in two nearby galaxies, we find that their [C ii] linewidths agree better with those of the CO than the H i. As the radial extent of a given ISM tracer is a key input in deriving M{sub dyn} from spatially unresolved data, we conclude that the relevant length-scale to use in determining M{sub dyn} based on [C ii] data, is that of the well-characterized CO distribution. This length scale is similar to that of the optical disk.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

First set of gated x-ray imaging diagnostics for the Laser Megajoule facility

The Laser Megajoule (LMJ) facility located at CEA/CESTA started to operate in the early 2014 with two quadruplets (20 kJ at 351 nm) focused on target for the first experimental campaign. We present here the first set of gated x-ray imaging (GXI) diagnostics implemented on LMJ since mid-2014. This set consists of two imaging diagnostics with spatial, temporal, and broadband spectral resolution. These diagnostics will give basic measurements, during the entire life of the facility, such as position, structure, and balance of beams, but they will also be used to characterize gas filled target implosion symmetry and timing, to study x-ray radiography and hydrodynamic instabilities. The design requires a vulnerability approach, because components will operate in a harsh environment induced by neutron fluxes, gamma rays, debris, and shrapnel. Grazing incidence x-ray microscopes are fielded as far as possible away from the target to minimize potential damage and signal noise due to these sources. These imaging diagnostics incorporate microscopes with large source-to-optic distance and large size gated microchannel plate detectors. Microscopes include optics with grazing incidence mirrors, pinholes, and refractive lenses. Spatial, temporal, and spectral performances have been measured on x-ray tubes and UV lasers at CEA-DIF and at Physikalisch-Technische Bundesanstalt BESSY II synchrotron prior to be set on LMJ. GXI-1 and GXI-2 designs, metrology, and first experiments on LMJ are presented here.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Driving and characterizing nucleation of urea and glycine polymorphs in water

Crystal nucleation is relevant across the domains of fundamental and applied sciences. However, in many cases, its mechanism remains unclear due to a lack of temporal or spatial resolution. To gain insights into the molecular details of nucleation, some form of molecular dynamics simulations is typically performed; these simulations, in turn, are limited by their ability to run long enough to sample the nucleation event thoroughly. To overcome the timescale limits in typical molecular dynamics simulations in a manner free of prior human bias, here, we employ the machine learning-augmented molecular dynamics framework “reweighted autoencoded variational Bayes for enhanced sampling (RAVE).” We study two molecular systems—urea and glycine—in explicit all-atom water, due to their enrichment in polymorphic structures and common utility in commercial applications. From our simulations, we observe multiple back-and-forth nucleation events of different polymorphs from homogeneous solution; from these trajectories, we calculate the relative ranking of finite-sized polymorph crystals embedded in solution, in terms of the free-energy difference between the finite-sized crystal polymorph and the original solution state. We further observe that the obtained reaction coordinates and transitions are highly nonclassical.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Characterization of core neutrals using passive measurements of the D α spectrum near the X -point in the DIII-D tokamak

New spectroscopic measurements of deuterium Balmer-α emission are used to infer the spatial distribution of neutral particles near the X-point in a diverted high confinement mode plasma. The charge exchange neutral spectroscopy (CENS) diagnostic—recently installed on the DIII-D tokamak—uses 15 lines of sight extending from the edge of the confined region (ρ ≈ 0.7) to the X-point in lower single-null plasmas. Each CENS line of sight is spectrally resolved around the deuterium Balmer-α wavelength (6561 Å) to measure the Doppler shift, line broadening, and intensity of Dα emission. Thermal line broadening is used to identify emission from neutrals undergoing charge-exchange (CX) with high temperature ions in the confined plasma. This spectral information allows a more accurate determination of the neutral density deeper inside the confined plasma compared to traditional filter-based diagnostics. We present two methods of analyzing CENS measurements: (1) fitting the spectrum from each view-chord separately, and (2) a tomographic method for inverting the neutral density over a 2D region of space using all CENS views collectively. The neutral density profile is found to decay exponentially in the radial direction with two scale-lengths. In the pedestal region the neutral density decays at a rate approximately equal to the local mean-free-path for CX collisions, $L_{n_\mathrm{D0}}\approx \lambda_\text{CX}$. Further inside the plasma the neutral density decays at a rate equal to the mean-free-path for ionization, $L_{n_\mathrm{D0}}\approx \lambda_\text{inz.}$. The separatrix $n_\mathrm{D0}$ value is found to be approximately $2\times10^{15}$ m−3. Based on results from the 2D inversion, the density of neutrals is found to increase along the separatrix approaching the X-point by a factor of $\approx 5\times$ over the region covered by the CENS diagnostic.

X-point neutrals↗

DOE OSTI2024

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↗

DOE OSTI2020

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↗

DOE OSTI2023

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↗

DOE OSTI2017

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↗

DOE OSTI2019

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↗

DOE OSTI2019

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↗

DOE OSTI2019

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↗

DOE OSTI2026

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↗

DOE OSTI2016

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↗