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At least 1,765 records · Page 98

A geospatial model for the analysis of time-dependent land subsidence induced by reservoir depletion

Land subsidence due to fluid depletion is an outcome of physical processes operating across a wide range of time and length scales. Although geomechanical models are crucial to simulate reservoir compaction and predict its long-term fate, their use across large regions often bears prohibitive computational costs. To overcome this obstacle, this paper proposes a simplified modelling framework consisting of (i) a near-field numerical solver simulating the coupling between fluid flow and rock deformation with reference to a simplified one-dimensional geometry and (ii) a far-field geospatial algorithm mapping ground settlements across a region through the superposition of poroelastic computations at multiple wells. The model computes the delay between depletion history and reservoir compaction in proximity of a producing well by assuming basal depletion of a fluid-saturated deformable disk, while the Geertsma solution of nucleus of strain is used to extrapolate the impact of such time-varying reservoir compaction around the well. This approach has been used to back-analyze the spatio-temporal progression of subsidence at the Groningen gas field. The results are compared against measurements collected over 50 year of production at 25 benchmark locations scattered over an area of 900 km 2 . It is shown that coupled simulations based on average values of rock compressibility and permeability lead to nonlinear trends of subsidence evolution in good agreement with field measurements, while uncoupled analyses overpredict settlements by more than 70%. Lastly, synthetic forecasts based on different rates of depletion were provided. The results suggest that slower depletion rates lead to lower subsidence at a given time, and that residual subsidence may continue to develop for several decades after interruption of production activities.

58 GEOSCIENCES↗

Mesh-based multiphysics coupling acceleration for fusion neutronics through clustering for fusion blanket applications

Accurate modeling of particle transport within fusion blankets is essential for predicting performance metrics such as heat deposition and the tritium breeding ratio (TBR). However, high-fidelity coupling of thermal fluids from computational fluid dynamics (CFD) to neutronics simulations often incurs significant computational costs due to the complexity of surface intersection calculations in Monte Carlo codes. This paper presents an accelerated multiphysics coupling method for neutronics that utilizes hierarchical agglomerative clustering to map complex material property distributions to a neutronics model. Implemented within the fusion reactor design and assessment (FREDA) framework, the method leverages existing Python packages to automate the creation of clustered geometries for OpenMC. The approach is demonstrated on a sector model of an ARC-class tokamak with an immersion molten salt blanket, and an simple geometry with varying isotopic concentrations. Results show that the clustering method significantly reduces computational burden without compromising fidelity, providing a foundation for agile iteration of neutronics simulations involving multiple coupled material properties.

Bae, Jin Whan [ORNL] (ORCID:0000000326548907)↗

Transforming microseismic clouds into near real-time visualization of the growing hydraulic fracture

SUMMARY Microseismic observations during unconventional reservoir stimulation are typically seen as a proxy for clusters of hydraulic fractures and the extent of the stimulated reservoir. Such straightforward interpretation is often misleading and fails to provide a physically reasonable image of the fracturing process. This paper demonstrates the application of a physics-based machine learning algorithm which enables a rapid and accurate fracture mapping from the microseismic data. Our training and validation data set relies on a history-matched geomechanical modelling workflow implemented in GEOS software for the Hydraulic Fracturing Test Site 1 (HFTS-1) project. For this study we augmented the simulated fracture growth through geostatistical modelling of induced seismicity, so that the synthetic microseismic catalogue matches the main statistical properties of the field observations. We formulated the problem of mapping the actual fracture in the clutter of events to parallel common video segmentation workflows: several past video frames (microseismic density snapshots) are passed through a deep convolutional network to classify whether a given voxel is associated with a fracture or intact rock. We found that for accurate fracture mapping, the network’s input and architecture must be augmented to incorporate the fluid injection parameters (pressure, rate, concentration of proppant, and location of the perforation within the cluster). The error rate for the network reached as little as 10 per cent of the fracture area, while a conventional microseismic interpretation approach yielded ∼300 per cent. Our approach also yields must faster predictions than conventional methods (minutes instead of weeks), and could enable engineers to make rapid decisions regarding engineering parameters (pumping rate, viscosity) in real time during stimulation.

58 GEOSCIENCES↗

Learning nuclear cross sections across the chart of nuclides with graph neural networks

We explore the use of deep learning techniques to learn how nuclear cross sections change as we add or remove protons and neutrons. As a proof of principle, we focus on the neutron-induced reactions in the fast energy regime. Our approach follows a two-stage learning framework. First, we apply representation learning to encode cross section data into a latent space using either variational autoencoders (VAEs) or implicit neural representations (INRs). Then, we train graph neural networks (GNNs) on the resulting embeddings to predict missing values across the nuclear chart by leveraging the topological structure of neighboring isotopes. We demonstrate accurate cross section predictions within a 9 × 9 block of missing nuclei. We also find that the optimal GNN training strategy depends on the type of latent representation used, with VAE embeddings performing best under end-to-end optimization in the original space, while INR embeddings achieve better results when the GNN is trained only in the latent space. Furthermore, using clustering algorithms, we map groups of latent vectors into regions of the nuclear chart and show that VAEs and INRs can discover some of the neutron magic numbers. These findings suggest that deep-learning models based on the representation encoding of cross sections combined with graph neural networks hold significant potential in augmenting nuclear theory models, e.g., by providing reliable estimates of covariances of cross sections, including cross-material covariances.

Machine learning↗

The Atacama Cosmology Telescope: Probing the baryon content of SDSS DR15 galaxies with the thermal and kinematic Sunyaev-Zel’dovich effects

We present high signal-to-noise measurements (up to 12$\sigma$) of the average thermal Sunyaev Zel'dovich (tSZ) effect from optically selected galaxy groups and clusters and estimate their baryon content within a 2.1$^\prime$ radius aperture. Sources from the Sloan Digital Sky Survey (SDSS) Baryon Oscillation Spectroscopic Survey (BOSS) DR15 catalog overlap with 3,700 sq. deg. of sky observed by the Atacama Cosmology Telescope (ACT) from 2008 to 2018 at 150 and 98 GHz (ACT DR5), and 2,089 sq. deg. of internal linear combination component-separated maps combining ACT and $\it{Planck}$ data (ACT DR4). The corresponding optical depths, $\bar{\tau}$, which depend on the baryon content of the halos, are estimated using results from cosmological hydrodynamic simulations assuming an AGN feedback radiative cooling model. We estimate the mean mass of the halos in multiple luminosity bins, and compare the tSZ-based $\bar{\tau}$ estimates to theoretical predictions of the baryon content for a Navarro-Frenk-White profile. We do the same for $\bar{\tau}$ estimates extracted from fits to pairwise baryon momentum measurements of the kinematic Sunyaev-Zel'dovich effect (kSZ) for the same data set obtained in a companion paper. We find that the $\bar{\tau}$ estimates from the tSZ measurements in this work and the kSZ measurements in the companion paper agree within $1\sigma$ for two out of the three disjoint luminosity bins studied, while they differ by 2-3$\sigma$ in the highest luminosity bin. The optical depth estimates account for one third to all of the theoretically predicted baryon content in the halos across luminosity bins. Potential systematic uncertainties are discussed. The tSZ and kSZ measurements provide a step towards empirical Compton-$\bar{y}$-$\bar{\tau}$ relationships to provide new tests of cluster formation and evolution models.

79 ASTRONOMY AND ASTROPHYSICS↗

Finite-Time Teleportation Phase Transition in Random Quantum Circuits

How long does it take to entangle two distant qubits in a quantum circuit evolved by generic unitary dynamics? Here, we show that if the time evolution is followed by measurements of all but two infinitely separated test qubits, then the entanglement between them can undergo a phase transition and become nonzero at a finite critical time t c . The fidelity of teleporting a quantum state from an input qubit to an infinitely distant output qubit shows the same critical onset. Specifically, these finite-time transitions occur in short-range interacting two-dimensional random unitary circuits and in sufficiently long-range interacting one-dimensional circuits. The phase transition is understood by mapping the random continuous-time evolution to a finite-temperature thermal state of an effective spin Hamiltonian, where the inverse temperature equals the evolution time in the circuit. In this framework, the entanglement between two distant qubits at times t > t c corresponds to the emergence of long-range ferromagnetic spin correlations below the critical temperature. We verify these predictions using numerical simulation of Clifford circuits and propose potential realizations in existing platforms for quantum simulation.

36 MATERIALS SCIENCE↗

Picasso: Memory-Efficient Graph Coloring Using Palettes With Applications in Quantum Computing

A coloring of a graph is an assignment of colors to vertices such that no two neighboring vertices have the same color. The need for memory-efficient coloring algorithms is motivated by their application in computing clique partitions of graphs arising in quantum computations where the objective is to map a large set of Pauli strings into a compact set of unitaries. We present Picasso, a randomized memory-efficient iterative parallel graph coloring algorithm with theoretical sublinear space guarantees under practical assumptions. The parameters of our algorithm provide a trade-off between coloring quality and resource consumption. To assist the user, we also propose a machine learning model to predict the coloring algorithm’s parameters considering these trade-offs. We provide a sequential and a parallel implementation of the proposed algorithm. We perform an experimental evaluation on a 64-core AMD CPU equipped with 512 GB of memory and an Nvidia A100 GPU with 40GB of memory. For a small dataset where existing coloring algorithms can be executed within the 512 GB memory budget, we show up to 68× memory savings. On massive datasets we demonstrate that GPU-accelerated Picasso can process inputs with 49.5× more Pauli strings (vertex set in our graph) and 2,478× more edges than state-of-the-art parallel approaches.

artificial intelligence, quantum computing↗

Assessing the Role of Hydrodynamics in Enhancing Height-Above-the-Nearest-Drainage Derived Synthetic Rating Curves: A Comparative Study in the Wu River Basin, Taiwan

The conventional approach to generating synthetic rating curves (SRC) using the Height-Above-the-Nearest-Drainage (HAND) method typically relies on the assumption of uniform flow, such as Manning's equation, to establish stage-discharge ratings. The zero-physics application of the uniform flow equation is insufficient for capturing detailed hydraulic features (e.g., backwater effect) and neglects the hydraulic effects from adjacent channels. This lack of hydrodynamic computation can impact the accuracy and effectiveness of riverine flood risk estimation and management. To reduce this foreseeable error, we introduce the HAND-hd workflow, which integrates sophisticated hydrodynamic computations in the production of HAND-based SRC with hydrodynamic features (SRC hd ). The results indicate that SRC hd demonstrates consistent agreement with both gauge observations and benchmark solutions. Additionally, the comparative analysis suggests that SRC hd provides notable improvements in stage-discharge ratings over conventional HAND-based SRCs, particularly in channels with mild bed gradients, where it reduces water stage prediction errors and percent biases. In steeper channel segments, SRC hd maintains comparable accuracy to conventional methods. The comprehensive evaluation in this study emphasizes the potential discrepancies and inaccuracies associated with the adoption of the uniform flow assumption in the conventional HAND-SRCs and addresses the necessity of including hydrodynamic physics in the application of HAND-based SRC (e.g., inundation map) in channels with mild gradients.

54 ENVIRONMENTAL SCIENCES↗

Observations of He I 584 A nighttime radiation - Evidence for an interstellar source of neutral helium

The intensity and spatial variations of the He I 584 A radiation in the night sky were measured to an altitude of 264 km from a sounding rocket launched from Thumba, India. The flux varied in intensity with look angle from a high of 16 plus or minus 5 rayleighs to a low of less than 1 rayleigh. The data obtained are presented in the form of an all-sky map. Since the peak flux levels observed are approximately two orders of magnitude larger than that expected from geocoronal resonant scattering, we have compared our results with those expected from two interplanetary sources of neutral helium: the penetration of the local interstellar medium into the solar neighborhood and the dust deionization of solar-wind alpha particles. The dust deionization-model predictions using currently accepted input parameters appear to be inconsistent with the observations. The interstellar helium source is compatible with the data to within the uncertainties of the models.

Paresce, F.↗

Remotely piloted aircraft in the civil environment

Improved remotely piloted aircraft (RPAs), i.e., incorporating reductions in size, weight, and cost, are becoming available for civilian applications. Existing RPA programs are described and predicted into the future. Attention is given to the NASA Mini-Sniffer, which will fly to altitudes of more than 20,000 m, sample the atmosphere behind supersonic cruise aircraft, and telemeter the data to ground stations. Design and operating parameters of the aircraft are given, especially the optical sensing systems, and civilian RPA uses are outlined, including airborne research, remote mapping, rescue, message relay, and transportation of need materials. Civil regulatory factors are also dealt with.

Gregory, T. J.↗

The parsec-scale jets in 3C 273 and 3C 345

We present recent centimeter-wavelength 'global-array' VLBI images of the quasars 3C 273 and 3C 345 with dynamic ranges in excess of 3000:1. They trace the jet emission on scales from r about 5 parsecs out to about 200 parsecs. The maps of 3C273 at 18 cm wavelength show a well-collimated one-sided jet with a wavy ridge line; these wiggles exist on size scales ranging from about 1 pc to over 10 kpc. We show that the well-known superluminal flow extends to r about 120 pc. Images of 3C 345 at 6 cm wavelength from data taken in 1989 and 1990 show surprising features not seen in lower dynamic-range maps of this otherwise well-studied quasar: the inner part of the jet shows edge-brightening, which is important for modeling of jet confinement. The jet fades out very abruptly at r about 40 pc, then reappears at about 70 pc; beyond 70 pc, the resumed jet flares and is more diffuse than an extrapolation of the inner jet would predict. This morphology is reminiscent of M 87, and is suggestive of a shock wave.

Unwin, Stephen C.↗

The Rapid Response Radiation Survey (R3S) Mission Using the HiSat Conformal Satellite Architecture

The Rapid Response Radiation Survey (R3S) experiment, designed as a quick turnaround mission to make radiation measurements in Low Earth Orbit (LEO), will fly as a hosted payload in partnership with NovaWurks using their Hyper-integrated Satlet (HISat) architecture. The need for the mission arises as the Nowcast of Atmospheric Ionization Radiation for Aviation Safety (NAIRAS) model moves from a research effort into an operational radiation assessment tool. Currently, airline professionals are the second largest demographic of radiation workers and to date their radiation exposure is undocumented in the USA. The NAIRAS model seeks to fill this information gap. The data collected by R3S, in addition to the complementary data from a NASA Langley Research Center (LaRC) atmospheric balloon mission entitled Radiation Dosimetry Experiment (RaD-X), will validate exposure prediction capabilities of NAIRAS. The R3S mission collects total dose and radiation spectrum measurements using a Teledyne μDosimeter and a Liulin-6SA2 LED spectrometer. These two radiation sensors provide a cross correlated radiometric measurement in combination with the Honeywell HMR2300 Smart Digital Magnetometer. The magnetometer assesses the Earth's magnetic field in the LEO environment and allows radiation dose to be mapped as a function of the Earth's magnetic shielding. R3S is also unique in that the radiation sensors will be exposed on the outer surface of the spacecraft, possibly making this the first measurements of the LEO radiation environment with bare sensors. Viability of R3S as an extremely fast turnaround mission is due, in part, to the nature of the robust, well-defined interfaces of the conformal satellite HiSat Architecture. The HiSat architecture, which was developed with the support of the Defense Advanced Research Projects Agency's (DARPA's) Phoenix Program, enabled the R3S system to advance from the first concept to delivery of preliminary design review (PDR) level documents in 29 calendar days. The architecture allows for interface complexities between the specific devices and the satellite bus to be resolved in a standardized interface control document (ICD). The ICD provided a readymade framework to interface to the modular satellite bus. This modularity allowed for approximately 90% of the R3S system to be designed and fabricated in two months without constraint of the hosting satellite's development cycle. This paper discusses the development of the R3S experiment as made possible by use of the HiSat architecture. The system design and operational modes of the experiment are described, as well as the experiment interfaces to the HiSat satellite via the user defined adapter (UDA) provided by NovaWurks. This paper outlines the steps taken by the project to execute the R3S mission in the 4 months of design, build, and test. Additionally portrayed is the ground work done at LaRC to posture the organization for a fast response and the process by which the opportunity was identified as aligning with key strategic goals. Finally, a description of the engineering process is provided, including the use of facilitated rapid/concurrent engineering sessions, the associated documentation, and the review process employed.

Miller, Nathanael A.↗

Evaluating Combinations of Sentinel-2 Data and Machine-Learning Algorithms for Mangrove Mapping in West Africa

Creating a national baseline for natural resources, such as mangrove forests, and monitoring them regularly often requires a consistent and robust methodology. With freely available satellite data archives and cloud computing resources, it is now more accessible to conduct such large-scale monitoring and assessment. Yet, few studies examine the reproducibility of such mangrove monitoring frameworks, especially in terms of generating consistent spatial extent. Our objective was to evaluate a combination of image processing approaches to classify mangrove forests along the coast of Senegal and The Gambia. We used freely available global satellite data (Sentinel-2), and cloud computing platform (Google Earth Engine) to run two machine learning algorithms, random forest (RF), and classification and regression trees (CART). We calibrated and validated the algorithms using 800 reference points collected using high-resolution images. We further re-ran 10 iterations for each algorithm, utilizing unique subsets of the initial training data. While all iterations resulted in thematic mangrove maps with over 90% accuracy, the mangrove extent ranges between 827-2807 km2 for Senegal and 245-1271 km2 for The Gambia with one outlier for each country. We further report "Places of Agreement" (PoA) to identify areas where all iterations for both methods agree (506.6 km2 and 129.6 km2 for Senegal and The Gambia, respectively), thus have a high confidence in predicting mangrove extent. While we acknowledge the time- and cost-effectiveness of such methods for the landscape managers, we recommend utilizing them with utmost caution, as well as post-classification on-the-ground checks, especially for decision making.

Mondal, Pinki↗

ICME for NASA Aerospace Applications: Batteries for Electric Aviation

NASA’s approach to computational materials modeling is detailed in the NASA Vision 2040 Roadmap for Multiscale Modeling and Simulation of Materials and Systems. This report is in the spirit of national initiatives such as the Material Genome Initiative (MGI), Integrated Computational Materials Engineering (ICME), and others. We utilize a combination of fundamental modeling, computational high-throughput screening, and data science methods, e.g., machine learning, are used to find innovative solutions to NASA or national technology challenges. Applications of interest are wide ranging from advanced alloys to batteries to coatings, among others. In this talk, we present three examples for recent work related to NASA applications. First, doping advanced sulfur battery cathodes with selenium boosts electrical conductivity important for electric aircraft applications. First principles calculations will be discussed that result in compositional design maps for these materials. Second, development of icephobic coatings is important to mitigate safety hazards associated with icing for aircraft. Molecular dynamics simulations are reported for ice-surface interfaces to understand adhesion mechanisms and help screen optimal ice-phobic coatings. Third, shape memory alloys have numerous applications as actuators, superelastic materials, etc. for aerospace. We report machine learning models that predict martensitic transition temperatures across a broad swath of compositional space.

John Lawson↗

Theoretical study of the CO 2 –O 2 van der Waals complex: potential energy surface and applications

A four-dimensional-potential energy surface (4D-PES) of the atmospherically relevant carbon dioxide–oxygen molecule (CO 2 –O 2 ) van der Waals complex is mapped using the ab initio explicitly correlated coupled cluster method with single, double, and perturbative triple excitations (UCCSD(T)-F12b), and extrapolation to the complete basis set (CBS) limit using the cc-pVTZ-F12/cc-pVQZ-F12 bases and the l –3 formula. An analytic representation of the 4D-PES was fitted using the method of interpolating moving least squares (IMLS). These calculations predict that the most stable configuration of CO 2 –O 2 complex corresponds to a planar slipped-parallel structure with a binding energy of V ~ –243 cm –1 . Another isomer is found on the PES, corresponding to a non-planar cross-shaped structure, with V ~ –218 cm –1 . The transition structure connecting the two minima is found at V ~ –211 cm –1 . We also performed comparisons with some CO 2 –X van der Waals complexes. Moreover, we provide a SAPT analysis of this molecular system. Then, we discuss the complexation induced shifts of CO 2 and O 2 . Afterwards, this new 4D-PES is employed to compute the second virial coefficient including temperature dependence. A comparison between quantities obtained in our calculations and those from experiments found close agreement attesting to the high quality of the PES and to the importance of considering a full description of the anisotropic potential for the derivation of thermophysical properties of CO 2 –O 2 mixtures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Adaptive Machine Learning for Bragg Coherent Diffraction Imaging (BCDI) of 3D Electron Density Maps with Application to La 2-x Ba x CuO 4 (LBCO) High Temperature Superconductor Studies [PowerPoint]

Understanding mesoscale heterogeneity is important for evaluating fatigue and failure of structural materials and for manufacturing processes. Data-driven tools can facilitate in guiding effort investment (measurements and computations) at various stages of the materials development. Our 3D reconstruction approach is to find a set of coefficients which define a bounding surface of the electron density. Data for training the 3D CNN was generated by sampling coefficients from uniform distributions. Test vs. prediction values are shown for the 28 even-valued coefficients for 1000 test structures, with the best and worst performers highlighted. The adaptive part of this work utilized a model independent extremum seeking (ES). The predictions of the CNN were used as the starting point for the ES algorithm. The convergence of the ES algorithm for 3 different structures is illustrated, and the robustness of the adaptive ML approach was demonstrated on experimentally measured 3D crystal from high energy diffraction microscopy. Reconstruction of a non-uniform density volume with different levels of Poisson noise is also shown. Preliminary attempts at reconstructing measured La 2-x Ba x CuO 4 diffraction patterns have so far failed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

HFIR SiC Bowing Test Ready to Insert

This report describes the successful assembly of a High Flux Isotope Reactor (HFIR) irradiation experiment designed to assess radiation-induced lateral bowing of silicon carbide fiber–reinforced, silicon carbide matrix composite (SiC/SiC) components under a radial fast neutron flux gradient. Excessive bowing of a SiC/SiC channel box in a boiling water reactor could potentially interfere with control blade movements. Similar concerns exist for SiC/SiC fuel cladding in light water reactors. The experiment described herein will provide experimental validation of the structural response of a miniature SiC/SiC channel box and tube specimens with pressurized water reactor diameters during irradiation. The significant radial fast neutron flux gradients that exist in the permanent reflector of HFIR were characterized using detailed three-dimensional neutronic calculations. The three-dimensional displacement damage dose rate profile and the resulting volumetric swelling in SiC were used as inputs to structural analyses that predicted the deformation and stresses in the channel box specimen. The specimens were thoroughly characterized prior to irradiation using traditional dimensional inspection and surface profilometry so that these measurements can later be compared with similar measurements that will be made post-irradiation to determine radiation-induced deformations. Furthermore, fine engraving markers were inscribed along all outer surfaces of the specimen and mapped using a digital microscope and a three-dimensional stage. This technique allowed for accurate measurements of the marker spacings, which can be compared with similar measurements that will be made post-irradiation to provide local radiation-induced strain mapping. The experiment was successfully assembled and is scheduled for insertion during HFIR cycle 492, which is currently scheduled to run from May 25, 2021 to June 18, 2021.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Genome-scale model development and genomic sequencing of the oleaginous clade Lipomyces

The Lipomyces clade contains oleaginous yeast species with advantageous metabolic features for biochemical and biofuel production. Limited knowledge about the metabolic networks of the species and limited tools for genetic engineering have led to a relatively small amount of research on the microbes. Here, a genome-scale metabolic model (GSM) of Lipomyces starkeyi NRRL Y-11557 was built using orthologous protein mappings to model yeast species. Phenotypic growth assays were used to validate the GSM (66% accuracy) and indicated that NRRL Y-11557 utilized diverse carbohydrates but had more limited catabolism of organic acids. The final GSM contained 2,193 reactions, 1,909 metabolites, and 996 genes and was thus named iLst996. The model contained 96 of the annotated carbohydrate-active enzymes. iLst996 predicted a flux distribution in line with oleaginous yeast measurements and was utilized to predict theoretical lipid yields. Twenty-five other yeasts in the Lipomyces clade were then genome sequenced and annotated. Sixteen of the Lipomyces species had orthologs for more than 97% of the iLst996 genes, demonstrating the usefulness of iLst996 as a broad GSM for Lipomyces metabolism. Pathways that diverged from iLst996 mainly revolved around alternate carbon metabolism, with ortholog groups excluding NRRL Y-11557 annotated to be involved in transport, glycerolipid, and starch metabolism, among others. Overall, this study provides a useful modeling tool and data for analyzing and understanding Lipomyces species metabolism and will assist further engineering efforts in Lipomyces .

59 BASIC BIOLOGICAL SCIENCES↗