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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Deep Neural Network Based Convergence Classification for Computational Fluid Dynamics

A supervised deep learning approach is coupled with heuristic convergence criteria to construct a classification model for detecting the completion (convergence) of computational fluid dynamics (CFD) simulations. Heuristic convergence criteria alone are not always sufficient and more complex decisions are often left to a human analyst. The proposed approach leverages heuristic convergence criteria as well as two deep neural network (DNN) models, one binary and one multi-class, to improve the efficiency and consistency of convergence classification across a wide range of flight regimes. The DNN models presented are each trained on a subset of ascent aerodynamic CFD simulations for NASA’s Space Launch System and were produced using NASA’s unstructured Navier-Stokes solver FUN3D. Individual solutions are analyzed intermittently and are classified as sufficiently converged, further iterations required, or switch from steady Reynolds Averaged Navier-Stokes (RANS) to unsteady RANS CFD based on the iterative histories of four aerodynamic coefficients. The implemented classification model is shown to produce solutions that closely correlate to solutions produced by a human analyst. This work lays groundwork for expanding the capabilities of DNNs for automating and improving more of the CFD process.

SLS↗
NASA NTRS2005

GALEX Study of the UV Variability of Nearby Galaxies and a Deep Probe of the UV Luminosity Function

The proposal has two aims - a deep exposure of NGC 300, about a factor of 10 deeper than the GALEX all-sky survey; and an examination of the UV variability. The data were received just prior to a series of proposal deadlines in early spring. A subsequent analysis delay includes a move from SAO to the University of Texas - San Antonio. Nevertheless, we have merged the data into a single deep exposure as well as undertaking a preliminary examination of the variability. No UV halo is present as detected in the GALEX observation of M83. No UV bursts are visible; however a more stringent limit will only be obtained through a differencing of the sub-images. Papers: we expect 2 papers at about 12 pages/paper to flow from this project. The first paper will report on the time variability while the second will focus on the deep UV image obtained from stacking the individual observations.

Schlegel, Eric↗
DOE OSTI2025

Sound Velocity and Grüneisen Parameter in Shock‐Melted Silica at Deep Earth Pressures

Silica is a primary component of rocky planet interiors and its melt properties are important for understanding planetary formation and differentiation, magma oceans, and the deep mantle. Although well understood in the solid state, the high-pressure behavior of liquid silica is poorly constrained at lower mantle pressures. Using laser interferometry to measure shock wave profiles, we report measured stress-density states and longitudinal sound speeds in shock-synthesized stishovite, from fused silica staring material, and across the solid-liquid phase boundary up to 154 GPa. Our results constrain completion of melt at 80 GPa and show that at pressures relevant to the deep mantles of Earth-sized, rocky planets, the Grüneisen parameter for liquid silica increases with compression. This finding is consistent with a continuous increase in Si-O coordination above six for liquid silica at core-mantle boundary relevant pressures and temperatures.

Ocampo, I. K. [Princeton University, NJ (United St↗
NASA NTRS2006

Marshall Space Flight Center Autumn 2005

The East Test Area at Marshall Space Flight Center has five major test stands, each of which has two or more test positions, not counting the SSME and RD-180 engine test facilities in the West Test Area. These research and development facilities are capable of testing high pressure pumps, both fuel and oxidizer, injectors, chambers and sea-level engine assemblies, as well as simulating deep space environments in the 12, 15 and 20 foot vacuum chambers. Liquid propellant capabilities are high pressure hydrogen (liquid and gas), methane (liquid and gas), and RP-1 and high pressure LOX. Solid propellant capability includes thrust measurement and firing capability up to 1/6 scale Shuttle SRB segment. In the past six months MSFC supported multiple space access and exploration programs in the previous six months. Major programs were Space Exploration, Shuttle External Tank research, Reusable Solid Rocket Motor (RSRM) development, as well as research programs for NASA and other customers. At Test Stand 115 monopropellant ignition testing was conducted on one position. At the second position multiple ignition/variable burn time cycles were conducted on Vacuum Plasma Spatter (VPS) coated injectors. Each injector received fifty cycles; the propellants were LOX Hydrogen and the ignition source was TEA. Following completion of the monopropellant test series the stand was reconfigured to support ignition testing on a LOX Methane injector system. At TS 116 a thrust stand used to test Booster Separation Motors from the Shuttle SRB system was disassembled and moved from Chemical Systems Division s Coyote Canyon plant to MSFC. The stand was reassembled and readied for BSM testing. Also, a series of tests was run on a Pratt & Whitney Rocketdyne Low Element Density (LED) injector engine. The propellants for this engine are LOX and LH2. At TS 300 the 20 foot vacuum chamber was configured to support hydrogen testing in the Multipurpose Hydrogen Test Bed (MHTB) test article. This testing, which went 24/7 for fourteen consecutive days, demonstrated long duration storage methods intended to minimize losses of propellant in support of the Space Exploration Initiative. The facility is being converted to support similar research using liquid methane. The 12 foot chamber at TS 300 was used to create ascent profiles (both heat and altitude effects) for foam panel testing in support of the Shuttle External Tank program. At TS 500, one position was in build-up to support ATK Thiokol research into the gas dynamics associated with high pressure flow across the propellant joint in segmented solid rocket motors. The testing involves flowing high pressure gas through a 24 motor case. Initial tests will be conducted with simulated aluminum grain, followed by tests using actual propellant. The second position at TS 500 has been in build-up for testing a LOX methane thruster manufactured by KT Engineering. At the Solid Propulsion Test Area (SPTA), the first dual segment 24 solid rocket motor was fired for ATK Thiokol in support of the RSRM program. A new axial thrust measurement stand was designed and fabricated for this testing. Real Time Radiography (RTR) will be deployed to examine nozzle erosion on the next dual segment motor.

Allen, Mike↗
DOE OSTI2020

Epstein-Barr Virus Epitope–Major Histocompatibility Complex Interaction Combined with Convergent Recombination Drives Selection of Diverse T Cell Receptor α and β Repertoires

Recognition modes of individual T cell receptors (TCRs) are well studied, but factors driving the selection of TCR repertoires from primary through persistent human virus infections are less well understood. Using deep sequencing, we demonstrate a high degree of diversity of Epstein-Barr virus (EBV)-specific clonotypes in acute infectious mononucleosis (AIM). Only 9% of unique clonotypes detected in AIM persisted into convalescence; the majority (91%) of unique clonotypes detected in AIM were not detected in convalescence and were seeming replaced by equally diverse “de novo” clonotypes. The persistent clonotypes had a greater probability of being generated than nonpersistent clonotypes due to convergence recombination of multiple nucleotide sequences to encode the same amino acid sequence, as well as the use of shorter complementarity-determining regions 3 (CDR3s) with fewer nucleotide additions (i.e., sequences closer to germ line). Moreover, the two most immunodominant HLA-A2-restricted EBV epitopes, BRLF1 109 and BMLF1 280 , show highly distinct antigen-specific public (i.e., shared between individuals) features. In fact, TCRα CDR3 motifs played a dominant role, while TCRβ played a minimal role, in the selection of TCR repertoire to an immunodominant EBV epitope, BRLF1. This contrasts with the majority of previously reported repertoires, which appear to be selected either on TCRβ CDR3 interactions with peptide/major histocompatibility complex (MHC) or in combination with TCRα CDR3. Understanding of how TCR-peptide-MHC complex interactions drive repertoire selection can be used to develop optimal strategies for vaccine design or generation of appropriate adoptive immunotherapies for viral infections in transplant settings or for cancer.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Expected Gamma-Ray Burst Detection Rates and Redshift Distributions for the BlackCAT CubeSat Mission

We report the results of an extensive set of simulations exploring the sensitivity of the BlackCAT CubeSat to long-duration gamma-ray bursts (GRBs). BlackCAT is a NASA APRA-funded CubeSat mission for the detection and real-time subarcminute localization of high-redshift (z ≳ 3.5) GRBs. Thanks to their luminous and long-lived afterglow emissions, GRBs are uniquely valuable probes of high-redshift star-forming galaxies and the intergalactic medium. In addition, each detected GRB with a known redshift serves to localize a region of high-redshift star formation in three dimensions, enabling deep follow-on searches for host galaxies and associated local and large-scale structures. We explore two distinct models for the GRB redshift distribution and luminosity function, both consistent with Swift observations. We find that, for either model, BlackCAT is expected to detect a mean of 42 bursts per year on orbit, with 6.7% to 10% of these at z > 3.5. BlackCAT bursts will be localized to an r 90 ≲ 55'' precision and reported to the community within seconds. Due to the mission orbit and pointing scheme, bursts will be located in the night sky and well placed for deep multiwavelength follow-up observations. BlackCAT is on schedule to achieve launch readiness in 2025.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Toward the predictive discovery of ambipolarly dopable ultra-wide-band-gap semiconductors: The case of rutile GeO 2

Ultrawide-band-gap (UWBG) semiconductors are promising for fast, compact, and energy-efficient power-electronics devices. Their wider band gaps result in higher breakdown electric fields that enable high-power switching with a lower energy loss. Yet, the leading UWBG semiconductors suffer from intrinsic materials' limitations with regard to their doping asymmetry that impedes their adoption in CMOS technology. Improvements in the ambipolar doping of UWBG materials will enable a wider range of applications in power electronics as well as deep-UV optoelectronics. These advances can be accomplished through theoretical insights on the limitations of current UWBG materials coupled with the computational prediction and experimental demonstration of alternative UWBG semiconductor materials with improved doping and transport properties. As an example, we discuss the case of rutile GeO2 (r-GeO 2 ), a water-insoluble GeO 2 polytype, which is theoretically predicted to combine an ultra-wide gap with ambipolar dopability, high carrier mobilities, and a higher thermal conductivity than β-Ga 2 O 3 . The subsequent realization of single-crystalline r-GeO 2 thin films by molecular beam epitaxy provides the opportunity to realize r-GeO 2 for electronic applications. Future efforts toward the predictive discovery and design of new UWBG semiconductors include advances in first-principles theory and high-performance computing software, as well as the demonstration of controlled doping in high-quality thin films with lower dislocation densities and optimized film properties.

36 MATERIALS SCIENCE↗
DOE OSTI2021

In Situ X-ray Measurements to Follow the Crystallization of BaTiO 3 Thin Films during RF-Magnetron Sputter Deposition

Here, we report on adding an important dimension to the fundamental understanding of the evolution of the thin film micro structure evolution. Thin films have gained broad attention in their applications for electro-optical devices, solar-cell technology, as well storage devices. Deep insights into fundamental functionalities can be realized via studying crystallization microstructure and formation processes of polycrystalline or epitaxial thin films. Besides the fundamental aspects, it is industrially important to minimize cost which intrinsically requires lower energy consumption at increasing performance which requires new approaches to thin film growth in general. Here, we present a state of the art sputtering technique that allows for time-resolved in situ studies of such thin film growth with a special focus on the crystallization via small angle scattering and X-ray diffraction. Focusing on the crystallization of the example material of BaTiO 3 , we demonstrate how a prototypical thin film forms and how detailed all phases of the structural evolution can be identified. The technique is shaped to enable a versatile approach for understanding and ultimately controlling a broad variety of growth processes, and more over it demonstrate how to in situ investigate the influence of single high temperature sputtering parameters on the film quality. It is shown that the whole evolution from nucleation, diffusion adsorption and grain growth to the crystallization can be observed during all stages of thin film growth as well as quantitatively as qualitatively. This can be used to optimize thin-film quality, efficiency and performance.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Delineating Variabilities of Groundwater Level Prediction Across the Agriculturally Intensive Transboundary Aquifers of South Asia

We report the groundwater depletion in South Asia’s Himalayan, transboundary Indus-Ganges-Brahmaputra-Meghna (IGBM) rivers basin is among the highest globally. Given the high irrigation demand and population, groundwater sustainability requires an improved understanding of groundwater systems for the accurate prediction of groundwater levels (GWLs). However, the prediction of groundwater system behaviors is a significant challenge since it is dominated by spatiotemporal and subsurface depth-dependent drivers. Earlier studies that address the challenges are mainly based on the short spatial and temporal extent and/or do not separate the renewable (i.e., shallow) vs nonrenewable (i.e., deeper) groundwater signals. Here, we first identified the variable importance of spatial and depth-dependent drivers on GWL in the IGBM basin. Our results indicate a greater influence of anthropogenic factors (i.e., widespread pumping and increased population) in most parts of the IGBM basin, except in the precipitation-dominated basin of the Brahmaputra. Our next purpose was to delineate a multifactorial approach for GWL prediction using the two most used machine learning models (i.e., support vector machine and feed-forward neural network) in the literature. In general, the machine learning model outputs show a good match in comparison to the GWL from the observation wells (n = 2303 distributed across India and Bangladesh) with some limitations in areas with increased groundwater irrigation. We separately compared the results from shallow (<35 m) and deep (>35 m) observation wells, emphasizing the significance of deep groundwater pumping. Our approach highlights the importance of spatiotemporal to multidepth factors in GWL prediction and can be adopted in other parts of the globe to predict GWLs.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1992

Nucleation and growth of rolling contact failure of 440C bearing steel

A 'two-body' elasto-plastic finite element model of 2-dimensional rolling and rolling-plus-sliding was developed to treat the effect of surface irregularities. The model consists of a smooth cylinder in contact with a semi-infinite half-space that is either smooth or fitted with one of 0.4 microns deep or 7 microns deep groove, or a 0.4 microns high ridge-like asperity. The model incorporates elastic-linear-kinematic hardening-plastic (ELKP) and non-linear-kinematic hardening-plastic (NLKP) material constitutive relations appropriate for hardened bearing steel and the 440C grade. The calculated contact pressure distribution is Hertzian for smooth body contact, and it displays intense, stationary, pressure spikes superposed on the Hertzian pressure for contact with the grooved and ridged surface. The results obtained for the 0.4 microns deep groove compare well with those reported by Elsharkawy and Hamrock for an EHD lubricated contact. The effect of translating the counterface on the half space as opposed to indenting the half space with the counter face with no translation is studied. The stress and strain values near the surface are found to be similar for the two cases, whereas they are significantly different in the subsurface. It is seen that when tiny shoulders are introduced at the edge of the groove in the finite element model, the incremental plasticity and residual stresses are significantly higher in the vicinity of the right shoulder (rolling direction is from left to right) than at the left shoulder. This may explain the experimental observation that the spall nucleation occurs at the exit end of the artificially planted indents. Pure rolling calculations are compared with rolling + sliding calculations. For a coefficient of friction, mu = 0.1, the effect of friction is found to be small. Efforts were made to identify the material constitutive relations which best describe the deformation characteristics of the bearing steels in the initial few cycles. Elastic-linear-kinematic hardening-plastic (ELKP) material constitutive relations produce less net plastic deformation in the initial stages for a given stress, than seen in experiments. A new set of constitutive relations: non-linear-kinematic hardening-plastic (NLKP) was used. This material model produces more plasticity than the ELKP model and shows promise for treating the net distortions in the early stages. Techniques for performing experimental measurements that can be compared with the finite element calculations were devised. The measurements are being performed on 9mm-diameter, 440C steel cylindrical rolling elements in contact with 12.5 mm-diameter, 52100 steel balls in a 3-ball-rod fatigue test machine operating at 3600 RPM. Artificial, 7 microns deep, indents were inserted on the running track of the cylindrical rolling elements and profilometer measurements of these indents made, before and after the rolling. These preliminary measurements show that the indents are substantially deformed plastically in the process of rolling. The deformations of the groove calculated with the finite element model are comparable to those measured experimentally.

Gupta, V.↗
DOE OSTI2023

Effective climate sensitivity distributions from a 1D model of global ocean and land temperature trends, 1970–2021

Abstract Current theoretically based Earth system models (ESMs) produce Effective Climate Sensitivities (EffCS) that range over a factor of three, with 80% of those models producing stronger global warming trends for 1970–2021 than do observations. To make a more observationally based estimate of EffCS, a 1D time-dependent forcing-feedback model of temperature departures from energy equilibrium is used to match measured ranges of global-average surface and sub-surface land and ocean temperature trends during 1970–2021. In response to two different radiative forcing scenarios, a full range of three model free parameters are evaluated to produce fits to a range of observed surface temperature trends (± 2σ) from four different land datasets and three ocean datasets, as well as deep-ocean temperature trends and borehole-based trend retrievals over land. Land-derived EffCS are larger than over the ocean, and EffCS is lower using the newer Shared Socioeconomic Pathways (SSP245, 1.86 °C global EffCS, ± 34% range 1.48–2.15 °C) than the older Representative Concentration Pathway forcing (RCP6, 2.49 °C global average EffCS, ± 34% range 2.04–2.87 °C). The strongest dependence of the EffCS results is on the assumed radiative forcing dataset, underscoring the role of radiative forcing uncertainty in determining the sensitivity of the climate system to increasing greenhouse gas concentrations from observations alone. The results are consistent with previous observation-based studies that concluded EffCS during the observational period is on the low end of the range produced by current ESMs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Solving high-dimensional partial integral differential equations: The finite expression method

Partial integro-differential equations (PIDEs) have broad applications in the sciences, from electro-magnetism to options pricing. Here, in this paper, we introduce a new finite expression method (FEX) to solve PIDEs. This approach builds upon the original FEX and its inherent advantages with new advances: 1) A novel method of parameter grouping is proposed to reduce the number of coefficients in high-dimensional function approximation; 2) A Taylor series approximation method is implemented to significantly improve the computational efficiency and accuracy of the evaluation of the integral terms of PIDEs. The new FEX based method, denoted FEX-PG to indicate the addition of the parameter grouping (PG) step to the algorithm, provides both high accuracy and interpretable numerical solutions, with the outcome being an explicit equation that facilitates intuitive understanding of the underlying solution structures. These features are often absent in traditional methods, such as finite element methods (FEM) and finite difference methods, as well as in deep learning-based approaches. To benchmark our method against recent advances, we apply the new FEX-PG to solve benchmark PIDEs in the literature. In high-dimensional settings, FEX-PG exhibits strong and robust performance, achieving relative errors on the order of single precision machine epsilon, significantly outperforming existing approaches based on neural networks.

Combinatorial optimization↗
DOE OSTI2024

Prandtl number effects on extreme mixing events in forced stratified turbulence

Relatively strongly stratified turbulent flows tend to self-organise into a ‘layered anisotropic stratified turbulence’ (LAST) regime, characterised by relatively deep and well-mixed density ‘layers’ separated by relatively thin ‘interfaces’ of enhanced density gradient. Understanding the associated mixing dynamics is a central problem in geophysical fluid dynamics. It is challenging to study LAST mixing, as it is associated with Reynolds numbers $Re := UL/\nu \gg 1$ and Froude numbers $Fr :=(2{\rm \pi} U)/(L N) \ll 1$ ( $U$ and $L$ being characteristic velocity and length scales, $\nu$ the kinematic viscosity and $N$ the buoyancy frequency). Since a sufficiently large dynamic range (largely) unaffected by stratification and viscosity is required, it is also necessary for the buoyancy Reynolds number $Re_{b} := \epsilon /(\nu N^{2}) \gg 1$ , where $\epsilon$ is the (appropriately volume-averaged) turbulent kinetic energy dissipation rate. This requirement is exacerbated for oceanically relevant flows, as the Prandtl number $Pr := \nu /\kappa = {O}(10)$ in thermally stratified water (where $\kappa$ is the thermal diffusivity), thus leading (potentially) to even finer density field structures. We report here on four forced fully resolved direct numerical simulations of stratified turbulence at various Froude ( $Fr=0.5, 2$ ) and Prandtl ( $Pr=1, 7$ ) numbers forced so that $Re_{b}=50$ , with resolutions up to $30\,240 \times 30\,240 \times 3780$ . We find that, as $Pr$ increases, emergent ‘interfaces’ become finer and their contribution to bulk mixing characteristics decreases at the expense of the small-scale density structures populating the well-mixed ‘layers’. However, extreme mixing events (as quantified by significantly elevated local destruction rates of buoyancy variance $\chi _0$ ) are always preferentially found in the (statically stable) interfaces, irrespective of the value of $Pr$ .

Mechanics↗
DOE OSTI2021

Photoluminescence Dynamics Defined by Exciton Trapping Potential of Coupled Defect States in DNA-Functionalized Carbon Nanotubes

Chemical reactions between semiconducting single-wall carbon nanotubes (SWCNTs) and single-stranded DNA (ssDNA) achieve spatially patterned covalent functionalization sites and create coupled fluorescent quantum defects on the nanotube surface, tailoring SWCNT photophysics for applications such as single-photon emitters in quantum information technologies. The evaluation of relaxation dynamics of photoluminescence (PL) from those coupled quantum defects is essential for understanding the nanotube electronic structure and beneficial to the design of quantum light emitters. Here, we measured the PL decay for ssDNA-functionalized SWCNTs as a function of the guanine content of the ssDNA oligo that dictates the red-shifting of their PL emission peaks relative to the band-edge exciton. We then correlate the observed dependence of PL decay dynamics on energy red-shifts to the exciton potential energy landscape, which is modeled using first-principles approaches based upon the morphology of ssDNA-altered SWCNTs obtained by atomic force microscopy (AFM) imaging. In this work, our simulations illustrate that the multiple guanine defects introduced within a single ssDNA strand strongly interact to create a deep exciton trapping well, acting as a single hybrid trap. The emission decay from the distinctive trapping potential landscape is found to be biexponential for ssDNA-modified SWCNTs. We attributed the fast time component of the biexponential PL decay to the redistribution of exciton population among the lowest energy bright states and a manifold of dark states emerging from the coupling of multiple guanine defects. The long lifetime component in the biexponential decay, on the other hand, is attributed to the redistribution of exciton population among different exciton trapping sites that arise from the binding of multiple ssDNA strands along the nanotube axis. AFM measurements indicate that those trapping sites are separated on average by ~8 nm along the nanotube axis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Quantum reactive scattering calculations for the cold and ultracold Li + LiNa → Li 2 + Na reaction

A first-principles based quantum dynamics study of the Li + LiNa(ν = 0, j = 0) → Li 2 (ν', j') + Na reaction is reported for collision energies spanning the ultracold (1 nK) to cold (1 K) regimes. A full-dimensional ab initio potential energy surface for the ground electronic state of Li 2 Na is utilized that includes an accurate treatment of the long-range interactions. The Li + LiNa reaction is barrierless and exoergic and exhibits a deep attractive potential well that supports complex formation. Thus, significant reactivity occurs even for collision temperatures approaching absolute zero. The reactive scattering calculations are based on a numerically exact time-independent quantum dynamics methodology in hyperspherical coordinates. Total and rotationally resolved rate coefficients are reported at 56 collision energies and include all contributing partial waves. Several shape resonances are observed in many of the rotationally resolved rate coefficients and a small resonance feature is also reported in the total rate coefficient near 50 mK. Furthermore, of particular interest, the angular distributions or differential cross sections are reported as a function of both the collision energy and scattering angle. Unique quantum fingerprints (bumps, channels, and ripples) are observed in the angular distributions for each product rotational state due to quantum interference and shape resonance contributions. The Li + LiNa reaction is under active experimental investigation so that these intriguing features could be verified experimentally when sufficient product state resolution becomes feasible for collision energies below 1 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

An obscured quasar census with the 4MOST IR AGN survey: design, predicted properties, and scientific goals

ABSTRACT We present the 4MOST (4-metre Multi-Object Spectroscopic Telescope) infrared (IR) AGN survey, the first large-scale optical spectroscopic survey characterizing mid-infrared (MIR) selected obscured active galactic nuclei (AGNs). The survey targets $\approx 212\,000$ obscured IR AGN candidates over $\approx 10\,000 \rm \: deg^2$ down to a magnitude limit of $r_{\rm AB}=22.8 \, \rm mag$ and will be $\approx 100 \times$ larger than any existing obscured IR AGN spectroscopic sample. We select the targets using an MIR colour criterion applied to the unWISE catalogue from the WISE (Wide-field Infrared Survey Explorer) all-sky survey, and then apply a $r-W2\ge 5.9 \rm \: mag$ cut; we demonstrate that this selection will mostly identify sources obscured by $N_{\rm H}>10^{22} \rm \: cm^{-2}$. The survey complements the 4MOST X-ray survey, which will follow up $\sim 1\,\rm M$ eROSITA (extended ROentgen Survey with an Imaging Telescope Array)-selected (typically unobscured) AGN. We perform simulations to predict the quality of the spectra that we will obtain and validate our MIR–optical colour-selection method using X-ray spectral constraints and UV-to-far-IR spectral energy distribution (SED) modelling in four well-observed deep-sky fields. We find that: (1) $\approx 80-87{{\ \rm per\ cent}}$ of the WISE-selected targets are AGN down to $r_{\rm AB}=22.1-22.8 \: \rm mag$ of which $\approx 70{{\ \rm per\ cent}}$ are obscured by $N_{\rm H}>10^{22} \: \rm cm^{-2}$, and (2) $\approx 80{{\ \rm per\ cent}}$ of the 4MOST IR AGN sample will remain undetected by the deepest eROSITA observations due to extreme absorption. Our SED-fitting results show that the 4MOST IR AGN survey will primarily identify obscured AGN and quasars ($\approx 55{{\ \rm per\ cent}}$ of the sample is expected to have $L_{\rm AGN,IR}>10^{45} \rm \: erg \: s^{-1}$) residing in massive galaxies ($M_{\star }\approx 10^{10}-10^{12} \rm \: M_{\odot }$) at $z\approx 0.5-3.5$ with $\approx 33{{\ \rm per\ cent}}$ expected to be hosted by starburst galaxies.

Andonie, Carolina (ORCID:0000000255804298)↗
DOE OSTI2023

Comparing Mapper Graphs of Artificial Neuron Activations

The mapper graph is a popular tool from topological data analysis that provides a graphical summary of point cloud data. It has been used to study data from cancer research, sports analytics, neurosciences, and machine learning. In particular, mapper graphs have been used recently to visualize the topology of high-dimensional artificial neural activations from convolutional neural networks and large language models. However, a key question that arises from using mapper graphs across applications is how to compare mapper graphs to study their structural differences. In this paper, we introduce a distance between mapper graphs using tools from optimal transport. We demonstrate the utility of such a distance by studying the topological changes of neural activations across convolutional layers in deep learning, as well as by capturing the loss of structural information for multiscale mapper.

mapper graphs, computational topology, machine lea↗