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At least 523 records · Page 29

Nuclear kinetic density from ab initio theory

The nuclear kinetic density is one of many fundamental, nonobservable quantities in density functional theory (DFT) dependent on the nonlocal nuclear density. Often, approximations may be made when computing the density that may result in spurious contributions in other DFT quantities. With the ability to compute the nonlocal nuclear density from ab initio wave functions, it is now possible to estimate effects of such spurious contributions. Herein, we derive the kinetic density using ab initio nonlocal scalar one-body nuclear densities computed within the no-core shell model (NCSM) approach, utilizing two- and three-nucleon chiral interactions as the sole input. The ability to compute translationally invariant nonlocal densities allows us to gauge the impact of the spurious center-of-mass (c.m.) contributions in DFT quantities, such as the kinetic density, and provide ab initio insight into refining energy density functionals. The nonlocal nuclear densities are derived from the NCSM one-body densities calculated in second quantization. We present a review of c.m. contaminated and translationally invariant nuclear densities. We then derive an analytic expression for the kinetic density using these nonlocal densities, producing an ab initio kinetic density. The ground-state nonlocal densities of He 4 , 6 , 8 , C 12 , and O 16 are used to compute the kinetic densities of the aforementioned nuclei. The impact of c.m. removal techniques in the density are discussed and compared to a procedure applied in DFT. The results of this work can be extended to other fundamental quantities in DFT. The use of a general nonlocal density allows for the calculation of fundamental quantities taken as input in theories such as DFT. This allows benchmarking c.m. removal procedures and provides a bridge for comparison between ab initio and DFT many-body techniques.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Error Estimates for the Optimal Control of a Parabolic Fractional PDE

In this work, we consider the integral definition of the fractional Laplacian and analyze a linear-quadratic optimal control problem for the so-called fractional heat equation; control constraints are also considered. We derive existence and uniqueness results, first order optimality conditions, and regularity estimates for the optimal variables. To discretize the state equation we propose a fully discrete scheme that relies on an implicit finite difference discretization in time combined with a piecewise linear finite element discretization in space. We derive stability results and a novel $L^2(0,T;L^2(\Omega))$ a priori error estimate. On the basis of the aforementioned solution technique, we propose a fully discrete scheme for our optimal control problem that discretizes the control variable with piecewise constant functions, and we derive a priori error estimates for it. We illustrate the theory with one- and two-dimensional numerical experiments.

97 MATHEMATICS AND COMPUTING↗

Isopiestic Measurements of Water Adsorption on Uranium Bearing Solids - 1900w

The research focus was to investigate the stability of the multicomponent uranium-bearing precipitates mimicking those created in sediments as a result of alkaline ammonia gas treatment in the vadose zone. Gravimetric measurements of moisture uptake on uranium-bearing precipitates as a function of increasing relative humidity can provide reasonable estimates of the deliquescence point of solid phases or its components. Water moisture uptake by uranium-bearing precipitates as a function of increasing relative humidity was measured at 25 deg. C via the isopiestic method. The conditions for each isotherm were calculated by a division of the amount of adsorbed moisture by the amount of dry precipitate samples. This method can provide estimates of water quantity retained within precipitates conducted in the range of water activities. The desorption portion of the isotherm was obtained by progressively decreasing the water activity or relative pressure in the isopiestic chamber while monitoring the equilibrium amount of moisture sorbed at each relative pressure. The amount of water adsorbed by multicomponent precipitates at a{sub w} = 0.67 ranged between 0.63 and 0.77 g water/g precipitate. Higher water activities or relative humidity values eventually lead to the deliquescence of the solid or its components and the formation of a liquid phase. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Features of ZnO Nanocrystal Size Distribution in a Polymer Matrix

X-ray diffraction patterns of a photocurable epoxy acryl-based polymer composite with addition of ZnO nanocrystals are analyzed. We recover the size distribution function of the ZnO nanocrystals and estimate the median size of the nanocrystals (∼40–50 nm) from a detailed analysis of the most intensive peak in the X-ray diffraction pattern.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

On the induced gravitational collapse scenario of gamma-ray bursts associated with supernovae

Following the induced gravitational collapse (IGC) paradigm of gamma-ray bursts (GRBs) associated with type Ib/c supernovae, we present numerical simulations of the explosion of a carbon–oxygen (CO) core in a binary system with a neutron-star (NS) companion. The supernova ejecta trigger a hypercritical accretion process onto the NS thanks to a copious neutrino emission and the trapping of photons within the accretion flow. We show that temperatures of 1–10 MeV develop near the NS surface, hence electron–positron annihilation into neutrinos becomes the main cooling channel leading to accretion rates of 10{sup −9}–10{sup −1} M{sub ⊙} s{sup −1} and neutrino luminosities of 10{sup 43}–10{sup 52} erg s{sup −1} (the shorter the orbital period the higher the accretion rate). We estimate the maximum orbital period, P{sub max}, as a function of the NS initial mass, up to which the NS companion can reach by hypercritical accretion the critical mass for gravitational collapse leading to black hole formation. We then estimate the effects of the accreting and orbiting NS companion onto a novel geometry of the supernova ejecta density profile. We present the results of a 1.4×10{sup 7} particle simulation which show that the NS induces accentuated asymmetries in the ejecta density around the orbital plane. We elaborate on the observables associated with the above features of the IGC process. We apply this framework to specific GRBs: we find that X-ray flashes (XRFs) and binary-driven hypernovae are produced in binaries with P>P{sub max} and P<P{sub max}, respectively. We analyze in detail the case of XRF 060218.

79 ASTRONOMY AND ASTROPHYSICS↗

A numerical approach for solving a class of variable-order fractional functional integral equations

This paper proposes new discretization techniques to estimate variable-order fractional integral operators based on the piecewise integro quadratic spline interpolation. The proposed methods are modified to solve a class of variable-order fractional functional integral equations. Moreover, we investigate the performance of the proposed methods by solving the variable-order fractional pantograph and Emden–Fowler functional integral equations.

97 MATHEMATICS AND COMPUTING↗

Fundamental Properties of Co-moving Stars Observed by Gaia

We have estimated fundamental parameters for a sample of co-moving stars observed by Gaia and identified by Oh et al. We matched the Gaia observations to the 2MASS and Wide-Field Infrared Survey Explorer catalogs and fit MIST isochrones to the data, deriving estimates of the mass, radius, [Fe/H], age, distance, and extinction to 9754 stars in the original sample of 10606 stars. We verify these estimates by comparing our new results to previous analyses of nearby stars, examining fiducial cluster properties, and estimating the power-law slope of the local present-day mass function. A comparison to previous studies suggests that our mass estimates are robust, while metallicity and age estimates are increasingly uncertain. We use our calculated masses to examine the properties of binaries in the sample and show that separation of the pairs dominates the observed binding energies and expected lifetimes.

79 ASTRONOMY AND ASTROPHYSICS↗

On the geometric dependence of the molecular dipole polarizability in water: A benchmark study of higher-order electron correlation, basis set incompleteness error, core electron effects, and zero-point vibrational contributions

In this work, we investigate how geometric changes influence the static dipole polarizability ($α$) of a water molecule by explicitly computing the corresponding dipole polarizability surface (DPS) across 3125 total (1625 symmetry-unique) geometries using linear response coupled cluster theory including single, double, and triple excitations (LR-CCSDT) and the doubly augmented triple-$ζ$ basis set (d-aug-cc-pVTZ). Analytical formulae based on power series expansions of this $ab initio$ surface are generated using linear least-squares analysis and provide highly accurate estimates of this quantity as a function of molecular geometry (i.e., bond and angle variations) in a computationally tractable manner. An additional database, which consists of 25 representative molecular geometries and incorporates a more thorough treatment of both basis sets and core electron effects, is provided as a current benchmark for this quantity and the corresponding leading-order $C_6$ dispersion coefficient. This database has been utilized to assess the importance of these effects as well as the relative accuracy that can be obtained using several quantum chemical methods and a library of density functional approximations. In addition to high-level electron correlation methods (like CCSD) and our analytical least-squares formulae, we find that the SCAN0, PBE0, MN15, and B97-2 hybrid functionals yield the most accurate descriptions of the molecular polarizability tensor in H 2 O. Using first-order perturbation theory, we compute the zero-point vibrational correction to $α$ at the CCSDT/d-aug-cc-pVTZ level and find that this correction contributes approximately 3% to the isotropic ($α$ iso ) and nearly 50% to the anisotropic ($α$ aniso ) polarizability values. In doing so, we find that $α$ iso = 9.8307 bohr 3 , which is in excellent agreement with the experimental value of 9.83 ± 0.02 bohr 3 provided by Russell and Spackman. The DPS reported herein provides a benchmark-quality quantum mechanical estimate of this fundamental quantity of interest and should find extensive use in the development (and assessment) of next-generation force fields and machine-learning based approaches for modeling water in complex condensed-phase environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Likelihood Methods for CMB Experiments

A great deal of experimental effort is currently being devoted to the precise measurements of the cosmic microwave background (CMB) sky in temperature and polarization. Satellites, balloon-borne, and ground-based experiments scrutinize the CMB sky at multiple scales, and therefore enable to investigate not only the evolution of the early Universe, but also its late-time physics with unprecedented accuracy. The pipeline leading from time ordered data as collected by the instrument to the final product is highly structured. Moreover, it has also to provide accurate estimates of statistical and systematic uncertainties connected to the specific experiment. In this paper, we review likelihood approaches targeted to the analysis of the CMB signal at different scales, and to the estimation of key cosmological parameters. We consider methods that analyze the data in the spatial (i.e., pixel-based) or harmonic domain. We highlight the most relevant aspects of each approach and compare their performance.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Simulating the dust content of galaxies: successes and failures

We present full-volume cosmological simulations, using the moving-mesh code AREPO to study the coevolution of dust and galaxies. We extend the dust model in AREPO to include thermal sputtering of grains and investigate the evolution of the dust mass function, the cosmic distribution of dust beyond the interstellar medium and the dependence of dust-to-stellar mass ratio on galactic properties. The simulated dust mass function is well described by a Schechter fit and lies closest to observations at z = 0. The radial scaling of projected dust surface density out to distances of 10 Mpc around galaxies with magnitudes 17 < i < 21 is similar to that seen in Sloan Digital Sky Survey data, albeit with a lower normalization. At z = 0, the predicted dust density of Ωdust ≈ 1.3 × 10 -6 lies in the range of Ωdust values seen in low-redshift observations. We find that the dust-to-stellar mass ratio anticorrelates with stellar mass for galaxies living along the star formation main sequence. Moreover, we estimate the 850 μm number density functions for simulated galaxies and analyse the relation between dust-to-stellar flux and mass ratios at z = 0. At high redshift, our model fails to produce enough dust-rich galaxies, and this tension is not alleviated by adopting a top-heavy initial mass function. We do not capture a decline in Ωdust from z = 2 to 0, which suggests that dust production mechanisms more strongly dependent on star formation may help to produce the observed number of dusty galaxies near the peak of cosmic star formation.

79 ASTRONOMY AND ASTROPHYSICS↗

The use of atmospheric prediction models to invert infrasound for linear-equivalent time domain moment tensors: Source Physics Experiment, Phase 1

We invert far field infrasound data for the equivalent seismo-acoustic time domain moment tensor to assess the effects of variable atmospheric models as well as to quantify the relative contributions of two presumed source phenomena. The infrasound data was produced by a series of underground chemical explosions that were conducted during the Source Physics Experiment, (SPE) which was originally designed to study explosion-generated seismo-acoustic signal phenomena. The goal of the work presented herein is two-fold: the first goal is to investigate the sensitivity of the estimated time domain moment tensors to variability of the estimated atmospheric model. The second goal is to determine the relative contribution of two possible source mechanisms to the observed infrasonic wave field. Rather than using actual atmospheric observations to estimate the necessary atmospheric Green's functions, we build a series of atmospheric models that rely on publicly available, regional atmospheric observations and the assumption that the acoustic energy results from a linear combination of an underground isotropic explosion and surface spall. The atmospheric observations are summarized and interpolated onto a 3D grid to produce a model of sound speed at the time of the experiment. For each of four SPE acoustic datasets that we invert, we produced a suite of three atmospheric models, based on ten years of regional meteorological observations: an average model, which averages the atmospheric conditions for ten years prior to each SPE event, as well as two extrema models. We find that the inversion yields relatively repeatable results for the estimated spall source. Conversely, the estimated isotropic explosion source is highly variable. This suggests that the majority of the observed acoustic energy is produced by the spall source and/or our modeling of the elastic energy propagation, and it's subsequent conversion to acoustic energy via linear elastic-to-acoustic coupling at the free surface, is too simplistic.

58 GEOSCIENCES↗

Estimation of micro-Hall-Petch coefficients for prismatic slip system in Mg-4Al as a function of grain boundary parameters

Grain size strengthening, referred to as the Hall-Petch effect, is a common strategy to improve the yield strength of magnesium (Mg) alloys. Several experimental studies have reported that the Hall-Petch slope strongly depends on the texture of the alloy. This effect arises from altering grain boundaries (GBs) resistance to different slip systems to transfer across adjacent grains. The grain boundary barrier strength of certain grain boundaries to basal slip, referred to as basal micro-Hall-Petch, was investigated in the previous work. Here in this study, the micro-Hall-Petch coefficient values for the prismatic slip $(k^{prismatic}_{μ})$ in Mg-4Al and their correlation with the grain boundary parameters were investigated. An experimental method was developed to initiate the prismatic slip band at low-stress levels. High-resolution electron backscatter diffraction (HR-EBSD) was used to measure the residual stress tensor, from which the resolved shear stress ahead of blocked prismatic slip bands was computed for seven different grain boundaries. $(k^{prismatic}_{μ})$ values for each individual GB were calculated by coupling the stress profile information with a continuum dislocation pile-up model. The $(k^{prismatic}_{μ})$ values vary from 0.138 MPa.m 1/2 to 0.685 MPa. m 1/2 which are almost three times larger than the calculated values for the basal micro-Hall-Petch. The $(k^{prismatic}_{μ})$ values were correlated with the GB parameters, and a functional relationship depending on the two most effective angles, the angle between the traces of the slip planes on the GB plane ($\phi$) and the angle between incoming and outgoing slip directions (κ), was proposed to estimate the Hall-Petch barrier for prismatic slip system. The work provides coefficients that can be supplied as input to crystal plasticity models to couple the effect of texture and grain size effectively.

36 MATERIALS SCIENCE↗

Fixed-node diffusion Monte Carlo description of nitrogen defects in zinc oxide

Using the fixed-node diffusion Monte Carlo (FN-DMC) method, we evaluate the formation energies and charge transition levels of substitutional nitrogen defects in the wide-band-gap semiconductor zinc oxide. The use of a direct-solution, many-body approach inherently secures a good description of electron-electron interactions, achieving high accuracy without adjustable parameters. According to FN-DMC nitrogen is a deep acceptor with a charge transition level 1.0(3) eV above the valence-band maximum when 72-atom supercells are used. This result falls on the lower end of typically reported hybrid density functional results for the same size supercells, which range from 1.0 to 1.8 eV. Further, residual finite-size effects due to charged defect image interactions in the 72-atom supercells are estimated by supercell extrapolation within hybrid density functional theory. When the finite-size correction is included, we obtain a deep acceptor at 1.6(3) eV. This result is in good agreement with recent experimental measurements. We also analyze the local compressibility of charge according to FN-DMC and common density functionals and find that the use of hybrid functionals obtains compressibilities in better agreement with the many-body theory. Our work illustrates the application of the FN-DMC method to a challenging point defect problem, demonstrating that uncertainties and approximations can be well controlled.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

flat10MIP: an emissions-driven experiment to diagnose the climate response to positive, zero and negative CO2 emissions

Abstract. The proportionality between global mean temperature and cumulative emissions of CO2 predicted in Earth system models (ESMs) is the foundation of carbon budgeting frameworks. Deviations from this behavior could impact estimates of required net-zero timings and negative emissions requirements to meet the Paris Agreement climate targets. However, existing ESM diagnostic experiments do not allow for direct estimation of these deviations as a function of defined emissions pathways. Here, we perform a set of climate model diagnostic experiments for the assessment of transient climate response to cumulative CO2 emissions (TCRE), the Zero Emissions Commitment (ZEC), and climate reversibility metrics in an emissions-driven framework. The emissions-driven experiments provide consistent independent variables simplifying simulation, analysis and interpretation, with emissions rates more comparable to recent levels than existing protocols using model-specific compatible emissions from the CMIP DECK 1pctCO2 experiment, where emissions rates tend to increase during the experiment, such that at the time of CO2 doubling in year 70, emissions are much greater than present-day values. A base experiment, “esm-flat10”, has constant emissions of CO2 of 10 GtC per year (near-present-day values), and initial results show that the TCRE estimated in this experiment is about 0.1 K less than that obtained using 1pctCO2. A subset of ESMs exhibit land carbon sinks that saturate during this experiment. A branch experiment, esm-flat10-zec, illustrates that both positive and negative ZEC effects are less pronounced under esm-flat10 than under 1pctCO2 – the magnitude of ZEC50 in ESMs is, on average, reduced by 30 % compared with 1pctCO2 branch experiments. A final experiment, esm-flat10-cdr, assesses climate reversibility under negative emissions, where we find that peak warming may occur before or after net zero and that the asymmetry in temperature at a given level of cumulative emissions between the positive and negative emissions phases is well described by ZEC in most models. Further, we find that existing probabilistic simple climate model (SCM) ensembles tend to overestimate temperature reversibility compared with ESMs, highlighting the need for additional constraints. We propose a set of climate diagnostic indicators to quantify various aspects of climate reversibility. These experiments were suggested as potential candidates in CMIP7 and have since been adopted as “fast track” simulations.

Sanderson, Benjamin M↗

WIPP PA Sensitivity Studies in Support of CRA-2014 Completeness Determination and Compliance Decision - 18209

The Waste Isolation Pilot Plant (WIPP) has been developed by the U.S. Department of Energy (DOE) for the geologic (deep underground) disposal of transuranic (TRU) waste. Containment of TRU waste at the WIPP is regulated by the U.S. Environmental Protection Agency (EPA). The DOE demonstrates compliance with the containment requirements by means of performance assessment (PA) calculations. WIPP PA calculations estimate the probability and consequence of potential radionuclide releases from the repository to the accessible environment for a regulatory period of 10,000 years after facility closure. Since TRU waste was first received at the WIPP in 1999, compliance recertification applications (CRAs) have been required by the EPA on five-year cycle. The latest CRA (CRA-2014) was submitted by the DOE to the EPA in 2014. As part of the application, a formal set of PA calculations (CRA-2014 PA) was performed and results were documented in detail. The CRA-2014 PA incorporated several parameter updates based on new data, as well as the implementation of a different model for panel closures, barriers planned for the opening of each waste panel. The results presented as part of the CRA-2014 showed via the required complementary cumulative distribution function (CCDF) release curves that the estimated releases were within compliance limits. As part of their process for reviewing the completeness of the CRA-2014 [1], the EPA formally requested that the DOE perform sensitivity studies based on EPA-requested changes to model parameters. The DOE performed and documented the results of three sensitivity studies described below: CRA14-SEN2 [2], CRA14-SEN3 [3], and CRA14-SEN4 [4]. In each case, the new analysis results were compared to CRA- 2014 PA (CRA14) results to determine the impact of the EPA-requested changes. CRA14-SEN2: the application of EPA-requested modified parameters in the operations and experimental (non-waste) areas of the repository to simulate an accelerated (instantaneous) creep closure, the inclusion of capillary pressure effects on relative permeability, and an increase in initial/residual brine saturation and residual gas saturation. The modifications to the repository model resulted in increased pressures and decreased brine saturations in waste areas and increased pressures and brine saturations in the operations and experimental areas. However, the overall effects on total high-probability mean releases from the repository were entirely insignificant. It was concluded that the modeling assumptions associated with the operations and experimental areas of the repository have an insignificant effect on the prediction of total releases from the repository and/or adequacy of the current (CRA14) model to demonstrate compliance with the regulatory limits. CRA14-SEN3: the application of EPA-requested modified parameters in the panel closure areas and operations and experimental (non-waste) areas of the repository to simulate an accelerated (instantaneous) creep closure, the inclusion of capillary pressure effects on relative permeability, and an increase in initial/residual brine saturation and residual gas saturation. The modifications to the repository model predominantly result in increased pressures and decreased brine saturations in waste areas, increased pressures and brine saturations in the operations and experimental areas, and decreased brine and gas flows across all panel closures. The pressure increases in repository waste regions yielded slightly decreased brine saturations (on average) in those areas. However, the overall effects on total high-probability mean releases from the repository are entirely insignificant. It was concluded that the modeling assumptions made for this sensitivity study which were associated with the panel closures and north end areas of the repository have only a small effect on the prediction of total releases from the repository and/or adequacy of the current (CRA14) model to demonstrate compliance with the regulatory limits. CRA14-SEN4: the application of several changes to the current WIPP PA model (CRA14), including: parameter changes, use of an updated code, and a revised computational grid for the BRAGFLO code. The modifications to the repository model resulted in increased releases in all primary release mechanisms. The impacts of each EPA-requested change to CRA14 were analyzed with respect to each release mechanism in the CRA14-SEN4 study. Overall, total high-probability predicted mean releases from the repository were increased by about 15%. Total low-probability predicted mean releases were increased by about 107%. It was concluded that the EPA-requested changes to the CRA14 result in increases to the predicted total releases from the repository. However, releases calculated in the CRA14-SEN4 analysis remained below regulatory limits, demonstrating continued compliance of the WIPP. In January 2017, the EPA determined that CRA-2014 was complete and then began a technical evaluation of CRA-2014 to determine whether the WIPP continued to comply with the radiation protection standards for disposal. During their evaluation, the EPA utilized the sensitivity study results to inform their ultimate determination in July 2017 that the WIPP continues to comply with regulatory standards. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The Chandra cosmos legacy survey: clustering of X-ray-selected AGNs at 2.9 ≤ z ≤ 5.5 using photometric redshift probability distribution functions

We present the measurement of the projected and redshift-space two-point correlation function (2pcf) of the new catalog of Chandra COSMOS-Legacy active galactic nucleus (AGN) at 2.9 ≤ z ≤ 5.5 (〈L{sub bol}〉 ∼ 10{sup 46} erg s{sup −1}) using the generalized clustering estimator based on phot-z probability distribution functions in addition to any available spec-z. We model the projected 2pcf, estimated using π {sub max} = 200 h{sup −1} Mpc with the two-halo term and we derive a bias at z ∼ 3.4 equal to b = 6.6{sub −0.55}{sup +0.60}, which corresponds to a typical mass of the hosting halos of log M {sub h} = 12.83{sub −0.11}{sup +0.12} h{sup −1} M {sub ⊙}. A similar bias is derived using the redshift-space 2pcf, modeled including the typical phot-z error σ {sub z} = 0.052 of our sample at z ≥ 2.9. Once we integrate the projected 2pcf up to π {sub max} = 200 h{sup −1} Mpc, the bias of XMM and Chandra COSMOS at z = 2.8 used in Allevato et al. is consistent with our results at higher redshifts. The results suggest only a slight increase of the bias factor of COSMOS AGNs at z ≳ 3 with the typical hosting halo mass of moderate-luminosity AGNs almost constant with redshift and equal to log M {sub h} = 12.92{sub −0.18}{sup +0.13} at z = 2.8 and log M {sub h} = 12.83{sub −0.11}{sup +0.12} at z ∼ 3.4, respectively. The observed redshift evolution of the bias of COSMOS AGNs implies that moderate-luminosity AGNs still inhabit group-sized halos at z ≳ 3, but slightly less massive than observed in different independent studies using X-ray AGNs at z ≤ 2.

79 ASTRONOMY AND ASTROPHYSICS↗

The Relative Importance of Assumed Infrasound Source Terms and Effects of Atmospheric Models on the Linear Inversion of Infrasound Time Series at the Source Physics Experiment

We invert far-field infrasound data for the equivalent seismoacoustic time-domain moment tensor to assess the effects of variable atmospheric models and source phenomena. The infrasound data were produced by a series of underground chemical explosions that were conducted during the Source Physics Experiment (SPE), which was originally designed to study seismoacoustic signal phenomena. The first goal is to investigate the sensitivity of the inversion to the variability of the estimated atmospheric model. The second goal is to determine the relative contribution of two presumed source mechanisms to the observed infrasonic wavefield. Rather than using actual atmospheric observations to estimate the necessary atmospheric Green’s functions, we build a series of atmospheric models that rely on publicly available, regional-scale atmospheric observations. The atmospheric observations are summarized and interpolated onto a 3D grid to produce a model of sound speed at the time of the experiment. For each of four SPE acoustic datasets that we invert, we produced a suite of three atmospheric models for each chemical explosion event, based on 10 yrs of meteorological data: an average model, which averages the atmospheric conditions for 10 yrs prior to each SPE event, as well as two extrema models. To parameterize the inversion, we assume that the source of infrasonic energy results from the linear combination of explosion-induced surface spall and linear seismic-to-elastic mode conversion at the Earth’s free surface. We find that the inversion yields relatively repeatable results for the estimated spall source. Conversely, the estimated isotropic explosion source is highly variable. This suggests that 1) the majority of the observed acoustic energy is produced by the spall and/or 2) our modeling of the elastic energy, and the subsequent conversion to acoustic energy, is too simplistic.

58 GEOSCIENCES↗

Evaluation of probabilistic photometric redshift estimation approaches for The Rubin Observatory Legacy Survey of Space and Time (LSST)

Many scientific investigations of photometric galaxy surveys require redshift estimates, whose uncertainty properties are best encapsulated by photometric redshift (photo-z) posterior probability density functions (PDFs). A plethora of photo-z PDF estimation methodologies abound, producing discrepant results with no consensus on a preferred approach. We present the results of a comprehensive experiment comparing twelve photo-z algorithms applied to mock data produced forLarge Synoptic Survey Telescope The Rubin Observatory Legacy Survey of Space and Time (lsst) Dark Energy Science Collaboration (desc). By supplying perfect prior information, in the form of the complete template library and a representative training set as inputs to each code, we demonstrate the impact of the assumptions underlying each technique on the output photo-z PDFs. In the absence of a notion of true, unbiased photo-z PDFs, we evaluate and interpret multiple metrics of the ensemble properties of the derived photo-z PDFs as well as traditional reductions to photo-z point estimates. Additionally, we report systematic biases and overall over/under-breadth of the photo-z PDFs of many popular codes, which may indicate avenues for improvement in the algorithms or implementations. Furthermore, we raise attention to the limitations of established metrics for assessing photo-z PDF accuracy; though we identify the conditional density estimate (CDE) loss as a promising metric of photo-z PDF performance in the case where true redshifts are available but true photo-z PDFs are not, we emphasize the need for science-specific performance metrics.

79 ASTRONOMY AND ASTROPHYSICS↗