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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Contemporaneous optical-radio observations of a fast radio burst in a close galaxy pair

ABSTRACT We present the MeerKAT discovery and MeerLICHT contemporaneous optical observations of the fast radio burst (FRB) 20230808F, which was found to have a dispersion measure of $\mathrm{DM}=653.2\pm 0.4\mathrm{\, pc\, cm^{-3}}$. FRB 20230808F has a scattering time-scale $\tau _{s}=3.1\pm 0.1\, \mathrm{ms}$ at 1563.6 MHz, a rotation measure $\mathrm{RM}=169.4\pm 0.2\, \mathrm{rad\, m^{-2}}$, and a radio fluence $F_{\mathrm{radio}}=1.72\pm 0.01\, \mathrm{Jy\, ms}$. We find no optical counterpart in the time immediately after the FRB, nor in the 3 months after the FRB during which we continued to monitor the field of the FRB. We set an optical upper flux limit in MeerLICHT’s q-band of $11.7\, \mathrm{\mu Jy}$ for a 60 s exposure which started ${\sim}3.4$ s after the burst, which corresponds to an optical fluence, $F_{\mathrm{opt}}$, of $0.039\, \mathrm{Jy\, ms}$ on a time-scale of ${\sim}3.4$ s. We obtain an estimate for the $q-$band luminosity limit of $vL_{v}\sim 1.3\times 10^{43}\, \mathrm{erg\, s^{-1}}$. We localize the burst to a close galaxy pair at a redshift of $z_{\mathrm{spec}}=0.3472\pm 0.0002$. Our time delay of ${\sim}3.4$ s between the FRB arrival time and the start of our optical exposure is the shortest ever for an as yet non-repeating FRB, and hence the closest to simultaneous optical follow-up that exists for such an FRB.

Hanmer, K. Y. (ORCID:0000000234757752)↗
DOE OSTI2015

On the merging cluster Abell 578 and its central radio galaxy 4C+67.13

Here we analyze radio, optical, and X-ray data for the peculiar cluster Abell 578. This cluster is not fully relaxed and consists of two merging sub-systems. The brightest cluster galaxy (BCG), CGPG 0719.8+6704, is a pair of interacting ellipticals with projected separation ∼10 kpc, the brighter of which hosts the radio source 4C+67.13. The Fanaroff–Riley type-II radio morphology of 4C+67.13 is unusual for central radio galaxies in local Abell clusters. Our new optical spectroscopy revealed that both nuclei of the CGPG 0719.8+6704 pair are active, albeit at low accretion rates corresponding to the Eddington ratio ∼10{sup −4} (for the estimated black hole masses of ∼3×10{sup 8} M{sub ⊙} and ∼10{sup 9} M{sub ⊙}). The gathered X-ray (Chandra) data allowed us to confirm and to quantify robustly the previously noted elongation of the gaseous atmosphere in the dominant sub-cluster, as well as a large spatial offset (∼60 kpc projected) between the position of the BCG and the cluster center inferred from the modeling of the X-ray surface brightness distribution. Detailed analysis of the brightness profiles and temperature revealed also that the cluster gas in the vicinity of 4C+67.13 is compressed (by a factor of about ∼1.4) and heated (from ≃2.0 keV up to 2.7 keV), consistent with the presence of a weak shock (Mach number ∼1.3) driven by the expanding jet cocoon. This would then require the jet kinetic power of the order of ∼10{sup 45} erg s{sup −1}, implying either a very high efficiency of the jet production for the current accretion rate, or a highly modulated jet/accretion activity in the system.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Influence of Time and Frequency Domain Wave Forcing on the Power Estimation of a Wave Energy Converter Array

Industry-specific tools for analyzing and optimizing the design of wave energy converters (WECs) and associated power systems are essential to advancing marine renewable energy. This study aims to quantify the influence of phase information on the device power output of a virtual WEC array. We run the phase-resolving wave model FUNWAVE-TVD (Total Variation Diminishing) to generate directional waves at the PacWave South site offshore from Newport, Oregon, where future WECs are expected to be installed for testing. The two broad cases presented correspond to mean wave climates during warm months (March–August) and cold months (September–February). FUNWAVE-TVD time series of sea-surface elevation are then used in WEC-Sim, a time domain numerical model, to simulate the hydrodynamic response of each device in the array and estimate their power output. For comparison, WEC-Sim is also run with wave energy spectra calculated from the FUNWAVE-TVD simulations, which do not retain phase information, and with wave spectra computed using the phase-averaged model Simulating WAves Nearshore (SWAN). The use of spectral data in WEC-Sim requires a conversion from frequency to time domain by means of random superposition of wave components, which are not necessarily consistent because of the linear assumption implicit in this method. Thus, power response is characterized by multiple realizations of the wave climates.

13 HYDRO ENERGY↗
DOE OSTI2021

The growth of intracluster light in XCS-HSC galaxy clusters from 0.1 < z < 0.5

ABSTRACT We estimate the intracluster light (ICL) component within a sample of 18 clusters detected in the XMM Cluster Survey (XCS) data using the deep (∼26.8 mag) Hyper Suprime-Cam Subaru Strategic Programme data release 1 i-band data. We apply a rest-frame μB = 25 mag arcsec−2 isophotal threshold to our clusters, below which we define light as the ICL within an aperture of RX,500 (X-ray estimate of R500) centred on the brightest cluster galaxy (BCG). After applying careful masking and corrections for flux losses from background subtraction, we recover ∼20 per cent of the ICL flux, approximately four times our estimate of the typical background at the same isophotal level (${\sim}5{{\ \rm per\ cent}}$). We find that the ICL makes up about ${\sim}24{{\ \rm per\ cent}}$ of the total cluster stellar mass on average (∼41 per cent including the flux contained in the BCG within 50 kpc); this value is well matched with other observational studies and semi-analytic/numerical simulations, but is significantly smaller than results from recent hydrodynamical simulations (even when measured in an observationally consistent way). We find no evidence for any links between the amount of ICL flux with cluster mass, but find a growth rate of 2–4 for the ICL between 0.1 < z < 0.5. We conclude that the ICL is the dominant evolutionary component of stellar mass in clusters from z ∼ 1. Our work highlights the need for a consistent approach when measuring ICL alongside the need for deeper imaging, in order to unambiguously measure the ICL across as broad a redshift range as possible (e.g. 10-yr stacked imaging from the Vera C. Rubin Observatory).

Furnell, Kate E.↗
DOE OSTI2025

Accurate shear estimation with fourth-order moments

ABSTRACT As imaging surveys progress in exploring the large-scale structure of the Universe through the use of weak gravitational lensing, achieving sub-per cent accuracy in estimating shape distortions caused by lensing, or shear, is imperative for precision cosmology. In this paper, we extend the Fourier power function shapelets (FPFS) shear estimator using fourth-order shapelet moments and combine it with the original second-order shear estimator to reduce galaxy shape noise. We calibrate this novel shear estimator analytically to a sub-per cent level-accuracy using the AnaCal framework. This higher order shear estimator is tested with realistic image simulations, and after analytical correction for the detection/selection bias and noise bias, the multiplicative shear bias $|m|$ is below $3\times 10^{-3}$ (99.7 per cent confidence interval) for both isolated and blended galaxies. Once combined with the second-order FPFS shear estimator, the shape noise is reduced by $\sim 35~{{\ \rm per\ cent}}$ for isolated galaxies in simulations with Hyper Suprime-Cam and Vera C. Rubin Observatory Legacy Survey of Space and Time observational conditions. However, for blended galaxies, the effective number density does not significantly improve with the combination of the two estimators. Based on these results, we recommend exploration of how this framework can further reduce the systematic uncertainties in shear due to point spread function leakage and modelling error, and potentially provide improved precision in shear inference in high-resolution space-based images.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Measuring Compositions in Organic Depth Profiling: Results from a VAMAS Interlaboratory Study

We report the results of a VAMAS (Versailles Project on Advanced Materials and Standards) interlaboratory study on the measurement of composition in organic depth profiling. Layered samples with known binary compositions of Irganox 1010 and either Irganox 1098 or Fmoc-pentafluoro-L-phenylalanine in each layer were manufactured in a single batch and distributed to more than 20 participating laboratories. The samples were analyzed using argon cluster ion sputtering and either X-ray Photoelectron Spectroscopy (XPS) or Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) to generate depth profiles. Participants were asked to estimate the volume fractions in two of the layers and were provided with the compositions of all other layers. Participants using XPS provided volume fractions within 0.03 of the nominal values. Participants using ToF-SIMS either made no attempt, or used various methods that gave results ranging in error from 0.02 to over 0.10 in volume fraction, the latter representing a 50% relative error for a nominal volume fraction of 0.2. Error was predominantly caused by inadequacy in the ability to compensate for primary ion intensity variations and the matrix effect in SIMS. Matrix effects in these materials appear to be more pronounced as the number of atoms in both the primary analytical ion and the secondary ion increase. Using the participants’ data we show that organic SIMS matrix effects can be measured and are remarkably consistent between instruments. We provide recommendations for identifying and compensating for matrix effects. Finally we demonstrate, using a simple normalization method, that virtually all ToF-SIMS participants could have obtained estimates of volume fraction that were at least as accurate and consistent as XPS.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2021

Numerical Modelling of a Two-Body Point Absorber Featuring Variable Geometry

This work presents a novel wave energy converter (WEC) device concept that incorporates variable geometry modules into a two-body point absorber type WEC. The variable geometry modules consist of air inflatable bags in the surface float and a water inflatable ring in the reaction body. The variable geometry floats are able to provide greater control over the device hydrodynamics; they can be inflated or deflated to emphasize either power absorption or load shedding. The device geometry is controlled in a quasi-static fashion, while the power take-off (PTO) unit is controlled on a wave-to-wave timescale. The surface float is tethered directly to the submerged reaction body through PTO tether lines. A linear time-domain analysis, conducted using open-source Wave Energy Converter (WEC-Sim) software, was used to estimate the absorbed power of the WEC in sea states defined by the Wave Energy Prize. WEC power performance was weighted against the expected capital cost of building the load bearing structure of the device, providing an estimated ACE value. The inclusion of the variable geometry modules was shown to be effective in altering the device geometry to improve power capture with a near proportional increase in expected costs, providing a nearly constant power-to-cost ratio.

cost of energy↗
DOE OSTI2024

Fate of supernova progenitors in massive binary systems

ABSTRACT How massive stars end their lives depends on the core mass, core angular momentum, and hydrogen envelopes at death. However, these key physical facets of stellar evolution can be severely affected by binary interactions. In turn, the effectiveness of binary interactions itself varies greatly depending on the initial conditions of the binaries, making the situation much more complex. We investigate systematically how binary interactions influence core–collapse progenitors and their fates. Binary evolution simulations are performed to survey the parameter space of supernova progenitors in solar metallicity binary systems and to delineate major evolutionary paths. We first study fixed binary mass ratios ($q=M_2/M_1$ = 0.5, 0.7, and 0.9) to elucidate the impacts of initial mass and initial separation on the outcomes, treating separately Type Ibc supernova, Type II supernova, accretion-induced collapse (AIC), rapidly rotating supernova (Ibc-R), black hole formation, and long gamma ray burst (long GRB). We then conduct 12 binary population synthesis model calculations, varying the initial condition distributions and binary evolution parameters, to estimate various supernova fractions. We obtain a Milky Way supernova rate $R_{\rm SN} = (1.78$–$2.47) \times 10^{-2} \, {\rm yr}^{-1}$ which is consistent with observations. We find the rates of AIC, Ibc-R, and long GRB to be $\sim 1/100$ the rate of regular supernovae. Our estimated long GRB rates are higher than the observed long GRB rate and close to the low luminosity GRB rate, although care must be taken considering our models are computed with solar metallicity. Furthering binary modelling and improving the inputs one by one will enable more detailed studies of these and other transients associated with massive stars.

Astronomy & Astrophysics↗
DOE OSTI2020

Computational modelling and experimental tank testing of the multi float WaveSub under regular wave forcing

A submerged wave device generates energy from the relative motion of floating bodies. In WaveSub, three floats are joined to a reactor; each connected to a spring and generator. Electricity generated damps the orbital movements of the floats. The forces are non-linear and each float interacts with the others. Tuning to the wave climate is achieved by changing the line lengths, so there is a need to understand the performance trade-offs for a large number of configurations. This requires an efficient, large displacement, multidirectional, multi-body numerical scheme. Results from a 1/25 scale wave basin experiment are described. Here, we show that a time domain linear potential flow formulation (Nemoh, WEC-Sim) can match the tank testing provided that suitably tuned drag coefficients are employed. Inviscid linear potential models can match some wave device experiments; however, additional viscous terms generally provide better accuracy. Scale experiments are also prone to mechanical friction, and we estimate friction terms to improve the correlation further. The resulting error in mean power between numerical and physical models is approximately 10%. Predicted device movement shows a good match. Overall, drag terms in time domain wave energy modelling will improve simulation accuracy in wave renewable energy device design. to understand the performance trade-offs for a large number of configurations. This requires an efficient, large displacement, multidirectional, multi-body numerical scheme. Results from a 1/25 scale wave basin experiment are described. Here, we show that a time domain linear potential flow formulation (Nemoh, WEC-Sim) can match the tank testing provided that suitably tuned drag coefficients are employed. Inviscid linear potential models can match some wave device experiments; however, additional viscous terms generally provide better accuracy. Scale experiments are also prone to mechanical friction, and we estimate friction terms to improve the correlation further. The resulting error in mean power between numerical and physical models is approximately 10%. Predicted device movement shows a good match. Overall, drag terms in time domain wave energy modelling will improve simulation accuracy in wave renewable energy device design.

16 TIDAL AND WAVE POWER↗
DOE OSTI2022

Jets from main sequence and white dwarf companions during common envelope evolution

ABSTRACT It has long been speculated that jet feedback from accretion on to the companion during a common envelope (CE) event could affect the orbital evolution and envelope unbinding process. We present global 3D hydrodynamical simulations of CE evolution (CEE) that include a jet subgrid model and compare them with an otherwise identical model without a jet. Our binary consists of a 2-M⊙ red giant branch primary and a 1- or 0.5-M⊙ main sequence (MS) or white dwarf (WD) secondary companion modelled as a point particle. We run the simulations for 10 orbits (40 d). Our jet model adds mass at a constant rate $\dot{M}_\mathrm{j}$ of the order of the Eddington rate, with maximum velocity vj of the order of the escape speed, to two spherical sectors with the jet axis perpendicular to the orbital plane. We explore the influence of the jet on orbital evolution, envelope morphology and envelope unbinding, and assess the dependence of the results on the jet mass-loss rate, launch speed, companion mass, opening angle, and accretion rate. In line with our theoretical estimates, jets are choked around the time of first periastron passage and remain choked thereafter. Subsequent to choking, but not before, jets efficiently transfer energy to bound envelope material. This leads to increases in unbound mass of up to $\sim 10{{\ \rm per\ cent}}$, as compared to the simulations without jets. We also estimate the cumulative effects of jets over a full CE phase, finding that jets launched by MS and WD companions are unlikely to dominate envelope unbinding.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Deep-field analytical calibration

The next generation of imaging surveys, including the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST), Euclid, and the Nancy Grace Roman Space Telescope, will provide unprecedented constraints on cosmology using weak gravitational lensing. To fully exploit this statistical power, shear measurement methods must achieve sub- per cent accuracy while mitigating systematic biases from noise, the point-spread function (PSF), blending, and shear-dependent detection. The analytical calibration framework (AnaCal) has demonstrated such accuracy but requires adding noise to images, reducing effective depth. We introduce Deep-Field Analytical Calibration (DEEP-FIELD AnaCal), an extension of AnaCal that uses deep-field images to compute shear responses while preserving the statistical power of wide-field data. We validate DEEP-FIELD AnaCal on isolated and blended galaxy image simulations with LSST-like conditions, finding it meets the stringent requirement of multiplicative bias $|m| < 3\times 10^{-3}$ at 99.7 per cent confidence. Compared to standard AnaCal applied to wide-field images, DEEP-FIELD AnaCal increases the effective galaxy number density from 17 to 30 arcmin$^{-2}$ for simulated 10-yr LSST data. With deep fields $10\times$ longer than the wide field, we find pixel noise variance in shear estimation is reduced by 30 per cent and overall uncertainty by $\sim 25~{{\ \rm per\ cent}}$. Finally, using the LSST Deep Drilling Fields strategy, we assess sample variance and find an equivalent calibration uncertainty of $\lesssim 0.3~{{\ \rm per\ cent}}$. These results demonstrate that DEEP-FIELD AnaCal offers a promising path to achieve the required shear calibration for upcoming weak lensing surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Discovery of the most luminous quasar of the last 9 Gyr

Abstract We report the discovery of a bright ( $g = 14.5$ mag (AB), $K = 11.9$ mag (Vega)) quasar at redshift $z=0.83$ — the optically brightest (unbeamed) quasar at $z>0.4$ . SMSS J114447.77-430859.3, at a Galactic latitude of $b=+18.1^{\circ}$ , was identified by its optical colours from the SkyMapper Southern Survey (SMSS) during a search for symbiotic binary stars. Optical and near-infrared spectroscopy reveals broad Mg ii , H $\unicode{x03B2}$ , H $\unicode{x03B1}$ , and Pa $\unicode{x03B2}$ emission lines, from which we measure a black hole mass of $\log_{10}\! (M_{\mathrm{BH}}/\mathrm{M}_{\odot}) = 9.4 \pm 0.5$ . With its high luminosity, $L_{\mathrm{bol}} = (4.7\pm1.0)\times10^{47}\,\mathrm{erg\,s}^{-1}$ or $M_{i}(z=2) = -29.74$ mag (AB), we estimate an Eddington ratio of $\approx1.4$ . As the most luminous quasar known over the last ${\sim}$ 9 Gyr of cosmic history, having a luminosity $8\times$ greater than 3C 273, the source offers a range of potential follow-up opportunities.

Astronomy & Astrophysics↗
DOE OSTI2022

Deep learning unresolved lensed light curves

ABSTRACT Gravitationally lensed sources may have unresolved or blended multiple images, and for time varying sources, the light curves from individual images can overlap. We use convolutional neural nets to both classify the light curves as due to unlensed, double, or quad lensed sources and fit for the time delays. Focusing on lensed supernova systems with time delays Δt ≳ 6 d, we achieve 100 per cent precision and recall in identifying the number of images and then estimating the time delays to σΔt ≈ 1 d, with a 1000× speedup relative to our previous Monte Carlo technique. This also succeeds for flux noise levels $\sim 10{{\ \rm per\ cent}}$. For Δt ∈ [2, 6] d, we obtain 94–98 per cent accuracy, depending on image configuration. We also explore using partial light curves where observations only start near maximum light, without the rise time data, and quantify the success.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

The XRISM first-light observation: Velocity structure and thermal properties of the supernova remnant N 132D

Abstract We present an initial analysis of the X-Ray Imaging and Spectroscopy Mission (XRISM) first-light observation of the supernova remnant (SNR) N 132D in the Large Magellanic Cloud. The Resolve microcalorimeter has obtained the first high-resolution spectrum in the 1.6–10 keV band, which contains K-shell emission lines of Si, S, Ar, Ca, and Fe. We find that the Si and S lines are relatively narrow, with a broadening represented by a Gaussian-like velocity dispersion of $\sigma _v \sim 450$ km s$^{-1}$. However, the Fe He$\alpha$ lines are substantially broadened with $\sigma _v \sim 1670$ km s$^{-1}$. This broadening can be explained by a combination of the thermal Doppler effect due to the high ion temperature and the kinematic Doppler effect due to the SNR expansion. Assuming that the Fe He$\alpha$ emission originates predominantly from the supernova ejecta, we estimate the reverse shock velocity at the time when the bulk of the Fe ejecta were shock heated to be $-1000 \lesssim V_{\rm rs}$ (km s$^{-1}$) $\lesssim 3300$ (in the observer frame). We also find that Fe Ly$\alpha$ emission is redshifted with a bulk velocity of $\sim 890$ km s$^{-1}$, substantially larger than the radial velocity of the local interstellar medium surrounding N 132D. These results demonstrate that high-resolution X-ray spectroscopy is capable of providing constraints on the evolutionary stage, geometry, and velocity distribution of SNRs.

individual objects↗
DOE OSTI2020

Deep XMM–Newton observations of the most distant SPT-SZ galaxy cluster

ABSTRACT We present results from a 577 ks XMM–Newton observation of SPT-CL J0459–4947, the most distant cluster detected in the South Pole Telescope 2500 square degree (SPT-SZ) survey, and currently the most distant cluster discovered through its Sunyaev–Zel’dovich effect. The data confirm the cluster’s high redshift, z = 1.71 ± 0.02, in agreement with earlier, less precise optical/IR photometric estimates. From the gas density profile, we estimate a characteristic mass of $M_{500}=(1.8\pm 0.2)\times 10^{14}\, {\rm M}_{\odot }$; cluster emission is detected above the background to a radius of $\sim \!2.2\, r_{500}$, or approximately the virial radius. The intracluster gas is characterized by an emission-weighted average temperature of 7.2 ± 0.3 keV and metallicity with respect to Solar of $Z/\, Z_{\odot }=0.37\pm 0.08$. For the first time at such high redshift, this deep data set provides a measurement of metallicity outside the cluster centre; at radii $r\gt 0.3\, r_{500}$, we find $Z/\, Z_{\odot }=0.33\pm 0.17$ in good agreement with precise measurements at similar radii in the most nearby clusters, supporting an early enrichment scenario in which the bulk of the cluster gas is enriched to a universal metallicity prior to cluster formation, with little to no evolution thereafter. The leverage provided by the high redshift of this cluster tightens by a factor of 2 constraints on evolving metallicity models, when combined with previous measurements at lower redshifts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Methods, systems, and devices for accurate signal timing of power component events

Disclosed herein are methods, systems, and devices for system event detection associated with power grid components. Methods include detecting, at a plurality of sensors, emissions from a system event associated with at least one winding of a power component. Methods also include determining, using a processor, a plurality of event parameters based, at least in part, on measurements made by the plurality of sensors, the event parameters identifying arrival times of the emissions at each of the plurality of sensors. Methods further include generating, using the processor, an output identifying an estimate of a position of the system event within the power component, the estimate being generated based, at least in part, on the arrival times identified by the plurality of event parameters.

Wu, Keshang↗
DOE OSTI2013

Estimation of Sorption Behavior of Europium(III) Using Biotite Flakes - 13272

The interaction of biotite and Eu(III) (europium (III)) was examined by using secondary ion-microprobe mass spectrometer (SIMS), fluorescence emission spectrum and decay behavior of fluorescence emission spectrum in addition to the time-changes of Eu(III) and potassium ions concentrations in a solution, using the flake form samples. The results of SIMS showed that the intensity of Eu was gradually decreasing with depth, while the intensity of Eu in the case shaken for 30 days exceeded that in the case for 1 day. Furthermore, the spatial distribution of Eu(III) and potassium ions in the flake of biotite suggested that Eu ions diffuse mainly from the edges of biotite flake, while Eu ions can slightly diffuse through some small cracks existing on the flake surface far from the edges. Besides, the elution amount of potassium from the biotite flakes into a solution was proportional to the sorption amount of Eu(III). The changes nearly revealed ion exchange between these ions, while muscovite flake sample did not show such ion exchange reaction. In addition, from the time-change of Eu(III) concentration, an apparent diffusion coefficient was estimated to be 8.0x10{sup -12} m{sup 2}/s, by using two-dimensional diffusion model coupled with a film between the solid phase and the liquid phase. Furthermore, the fluorescent intensity decreased with the shaking (contacting) time. This means that Eu(III) gradually diffuses into the inside of biotite edges of the biotite flakes, after the sorption of Eu(III) in the edges. This tendency was observed also in the powder samples. The observed fluorescence decay (at 592 nm in wave length) showed almost similar curve in any samples, indicating a certain sorption form of Eu(III) onto the edges of the biotite flakes. These results mentioned above suggest that the diffusion processes through internal layer in biotite mainly control the sorption behavior of multivalent ions. Such diffusion processes affect the retardation-effects on fracture surfaces in the rock matrix, depending on the fluid flow velocity of groundwater. That is, a more reliable model considering the mass transfer in the internal layer of biotite may be required to estimate the sorption behavior of RNs with biotite which controls the whole sorption behavior of granite. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Direct Characterization of Atomically Dispersed Catalysts: Nitrogen-Coordinated Ni Sites in Carbon-Based Materials for CO 2 Electroreduction

Metal, nitrogen-doped carbon materials have attracted interest as heterogenous catalysts that contain MN x active sites that are analogous to molecular catalysts. Of particular interest is Ni,N-doped carbon, a catalyst that is active for the electrochemical reduction of CO 2 to CO. Critical to the understanding of these materials is proof of single atomic sites and characterization of the environment surrounding the metal atom; however, directly probing this coordination remains challenging. This challenge is addressed in this study by combining scanning transmission electron microscopy (STEM), single atom electron energy loss spectroscopy (EELS), and time-of-flight secondary ion mass spectrometry (ToF-SIMS). Through STEM imaging, atomic dispersion of Ni in the carbon framework is confirmed and image analyses are utilized to give semiquantitative estimates of neighbor distance distributions and site densities of Ni atoms. Atomic resolution EELS demonstrates that N and Ni are colocated at the single Ni atom sites suggesting Ni–N coordination. ToF-SIMS reveals a distribution of NiN x C y - fragments that reflect the Ni–N bonding environments within Ni,N-doped carbon. The fragmentation from Ni,N-doped carbon is similar to Ni phthalocyanine, suggesting the existence of heterogenized, molecular-like NiN 4 active sites which motivates future studies that leverage insight from molecular catalysis design to develop next-generation heterogeneous catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗