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DOE OSTI2023

Constraining AGN Torus Sizes with Optical and Mid-infrared Ensemble Structure Functions

We propose a new method to constrain the size of the dusty torus in broad-line active galactic nuclei (AGNs) using optical and mid-infrared (MIR) ensemble structure functions (SFs). Because of the geometric dilution of the torus, the MIR response to optical continuum variations has suppressed variability with respect to the optical that depends on the geometry (e.g., size, orientation, opening angle) of the torus. More extended tori have steeper MIR SFs with respect to the optical SFs. We demonstrate the feasibility of this SF approach using simulated AGN light curves and a geometric torus model. While it is difficult to use SFs to constrain the orientation and opening angle due to the insensitivity of the SF on these parameters, the size of the torus can be well determined. Applying this method to the ensemble SFs measured for 587 SDSS quasars, we measure a torus R–L relation of $\mathrm{log}\,{R}_{\mathrm{eff}}(\mathrm{pc})={0.51}_{-0.04}^{+0.04}\times \mathrm{log}({{L}}_{\mathrm{bol}}/{10}^{46}\,\mathrm{erg}\ {{\rm{s}}}^{-1})-{0.38}_{-0.01}^{+0.01}$ in the WISE W1 band and sizes ~1.4 times larger in the W2 band, which are in good agreement with dust reverberation mapping measurements. Compared with the reverberation mapping technique, the SF method is much less demanding in data quality and can be applied to any optical+MIR light curves for which a lag measurement may not be possible, as long as the variability process and torus structure are stationary. While this SF method does not extract all information contained in the light curves (i.e., the transfer function), it provides an intuitive interpretation for the observed trends of AGN MIR SFs compared with optical SFs.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Utah FORGE 2-2439v2: Characterizing In-Situ Stress with Laboratory Modelling and Field Measurements - 2024 Annual Workshop Presentation

This is a presentation on A Multi-Component Approach to Characterizing In-Situ Stress at the Utah FORGE Site: Laboratory Modelling and Field Measurements project by The University of Pittsburgh, presented by Andrew Bunger. The project characterizes the stress in the Utah FORGE EGS reservoir using three methods: Method 1: Demonstrate complimentary laboratory rock-core stress estimation combined with Machine Learning approach for measuring in-situ stress from field sonic log data; Method 2: Complete field based in-situ measurement (mini-frac); and Method 3: Develop a mechanics-based method for connection near wellbore stress measurements to stresses away from the well-bore. This presentation was featured in the Utah FORGE R&D Annual Workshop on August 14, 2024.

15 GEOTHERMAL ENERGY↗

DOE OSTI2021

TESS Delivers Five New Hot Giant Planets Orbiting Bright Stars from the Full-frame Images

We present the discovery and characterization of five hot and warm Jupiters—TOI-628 b (TIC 281408474; HD 288842), TOI-640 b (TIC 147977348), TOI-1333 b (TIC 395171208, BD+47 3521A), TOI-1478 b (TIC 409794137), and TOI-1601 b (TIC 139375960)—based on data from NASA’s Transiting Exoplanet Survey Satellite (TESS). The five planets were identified from the full-frame images and were confirmed through a series of photometric and spectroscopic follow-up observations by the TESS Follow-up Observing Program Working Group. The planets are all Jovian size (R {sub P} = 1.01–1.77 R {sub J}) and have masses that range from 0.85 to 6.33 M {sub J}. The host stars of these systems have F and G spectral types (5595 ≤ T {sub eff} ≤ 6460 K) and are all relatively bright (9.5 < V < 10.8, 8.2 < K < 9.3), making them well suited for future detailed characterization efforts. Three of the systems in our sample (TOI-640 b, TOI-1333 b, and TOI-1601 b) orbit subgiant host stars (log g < 4.1). TOI-640 b is one of only three known hot Jupiters to have a highly inflated radius (R {sub P} > 1.7 R {sub J}, possibly a result of its host star’s evolution) and resides on an orbit with a period longer than 5 days. TOI-628 b is the most massive, hot Jupiter discovered to date by TESS with a measured mass of 6.31{sub −0.30}{sup +0.28} M {sub J} and a statistically significant, nonzero orbital eccentricity of e = 0.074{sub −0.022}{sup +0.021}. This planet would not have had enough time to circularize through tidal forces from our analysis, suggesting that it might be remnant eccentricity from its migration. The longest-period planet in this sample, TOI-1478 b (P = 10.18 days), is a warm Jupiter in a circular orbit around a near-solar analog. NASA’s TESS mission is continuing to increase the sample of well-characterized hot and warm Jupiters, complementing its primary mission goals.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

OLCF Summit Supercomputer GPU Snapshots During Double-Bit Errors and Normal Operations

As we move into the exascale era, the power and energy footprints of high-performance computing (HPC) systems have grown significantly larger. Due to the harsh power and thermal conditions the system, components are exposed to extreme operating conditions. Operation of such modern HPC systems requires deep insights into long term system behavior to maintain its efficiency as well as its longevity. To help the HPC community to gain such insights, we provide double-bit errors using system telemetry data and logs collected from the Summit supercomputer, equipped with 27,648 Tesla V100 GPUs with 2nd-generation high-bandwidth memory (HBM2). The dataset relies on Nvidia XID records internally collected by GPU firmware at the time of failure occurrence, on the reboot-time logs of each Summit node, on node-level job scheduler records collected after each job termination, and on a 1Hz data rate from the baseboard management controllers (BMCs) of each Summit compute node using the OpenBMC event subscription protocol. Technical details can be found in the paper Oles et. al “Understanding GPU Memory Corruption at Extreme Scale: The Summit Case Study” ICS’24 (https://doi.org/10.1145/3650200.3656615).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Oilwell Conversion (Well API 121913310501) to Geothermal Heat Storage Well for Flexible Electricity Storage

Geothermal growth is limited by a lack of geographically dispersed high-temperature thermal resources and high initial upfront investment in characterization and well construction. This project intended to address the challenges of energy supply intermittency and enhance grid resilience, reliability, and energy security by storing energy provided from currently available renewable resources in the subsurface to harvest it a later time during at-peak energy demand. This project intended to improve geothermal adoption, reduce initial project risk, and improve price competitiveness through utilizing existing oil and gas infrastructure such as non-productive wells, non-economic fields, dry holes, and orphaned wells. The project also intended to address the lack of geographically dispersed thermal resources and enhance grid resilience, reliability, and energy security by introducing an economical method for storing energy from currently available renewable resources in the subsurface for usage during at-peak energy demand. During this research, the project furthered the understanding of the feasibility of utilizing abandoned oil and gas wells as geothermal heat storage wells. The project team investigated the heat storage and hydrogeological characteristics of subsurface reservoirs in the Illinois Basin to evaluate their response to heat injection for determining the evolution of temperature profiles and heat losses over time using existing and available data sets. The project team then performed modeling and simulation to evaluate the heat losses of returning fluids during heat extraction. The outputs were used to select an optimal candidate reservoir and location in Southern Illinois. The team designed and performed a small-scale field test in an existing oil well to refine the model and to demonstrate the permitting and regulatory pathways necessary for the conversion of oil and gas assets to geothermal use. The field test also serves as a proof of concept and can guide the procedures for future research and implementation. Additionally, the project team, conducted initial market research and customer discovery to develop a go to market strategy for an Advanced Geothermal Energy Storage (AGES) system. The project team in this research also identified the parameters to be refined in future research, to improve the current go to market strategy economic model. To this end several subject matter experts were also identified to assist in future research with geothermal infrastructure setup, energy storage policy and law, energy storage market demand, potential siting based on demand etc. Future research will involve further sophistication of the site commercial modeling, implementing a larger-scale test, and further refinement of the thermodynamic modeling/simulation process. The output will be lifecycle costs and economics suitable for comparison to alternative approaches from a validated full-scale demonstration for venture capital investment into this technology. The project successfully demonstrated the ability to leverage existing oilfield infrastructure, permits, and land access and leasing agreements, to enable geothermal storage projects to come online faster and cheaper than a greenfield development could. This technology could allow for greater energy independence and security through long-term energy storage solutions. The longer duration allows for greater storage for renewables currently limited by hours-long storage durations of lithium-ion. The AGES system would support the growth of renewable energy farms, and provide greater opportunities for a cleaner energy infrastructure.

15 GEOTHERMAL ENERGY↗

DOE OSTI2021

Clutter Distributions for Tomographic Image Standardization in Ground-Penetrating Radar

Multistatic ground-penetrating radar (GPR) signals can be imaged tomographically to produce 3-D distributions of image intensities. In the absence of objects of interest, these intensities can be considered to be estimates of clutter. These clutter intensities spatially vary over several orders of magnitude and vary across different arrays, which makes a direct comparison of these raw intensities difficult. However, by gathering statistics on these intensities and their spatial variation, a variety of metrics can be determined. In this study, the clutter distribution is found to fit better to a two-parameter Weibull distribution than Gaussian or log-normal distributions. Based on the spatial variation of the two Weibull parameters, scale and shape, more information may be gleaned from these data. How well the GPR array is illuminating various parts of the ground, in depth and cross track, may be determined from the spatial variation of the Weibull scale parameter, which may in turn be used to estimate an effective attenuation coefficient in the soil. The transition in depth from clutter- to noise-limited conditions (which is one possible definition of GPR penetration depth) can be estimated from the spatial variation of the Weibull shape parameter. Lastly, the underlying clutter distributions also provide an opportunity to standardize image intensities to determine when a statistically significant deviation from background (clutter) has occurred, which is convenient for buried threat detection algorithm development that needs to be robust across multiple different arrays.

42 ENGINEERING↗

DOE OSTI2023

Improving Subsurface Stress Characterization for Carbon Dioxide Storage Projects by Incorporating Machine Learning Techniques

The overall objective of this project is to develop a framework for reliable characterization and prediction of the state of stress in the overburden and underburden (including the basement) in CO 2 storage reservoirs using machine learning and integrated geomechanics and geophysical methods. Specifically, we propose to develop workflow encompassing of technologies and/or methods to predict stress and pressure changes due to CO 2 injection in an active tertiary recovery site and their impacts on subtle fault activation, fractures and occurrence of microseismic events and compare responses to field observations. In this project, we anticipate using dataset from the Farnsworth field Unit (FWU) which is operated by Purdure Petroleum. A novel elastic-waveform VSP inversion technique will be used to estimate high-resolution spatial and temporal changes of elastic moduli in CO 2 storage reservoirs, which will be combined with velocity-stress relationship derived from laboratory tests to obtain subsurface pressure and stress. Clustered microseismic data will be jointly inverted for improved focal mechanisms. Least-squares reverse-time migration of microseismic waveform data will be performed to directly image fracture/fault zones. Additionally, a deep neural network machine learning technique with convolutional and recurrent layers will be used for learning the spectro-temporal structures in microseismic waveforms. The results of this geotechnical data analysis will be integrated to develop a high-resolution 3D mechanical earth model extending from the overburden sealing formations to the underburden including the basement. Mechanical properties will be derived through integration of mechanical logs, tests, available results from chemo-mechanical laboratory tests, and elastic inversion of seismic data using a combination of Bayesian and stochastic methods as well as machine learning technique. Failure features (faults/fractures) will be represented and/or modeled based on seismic and core data analysis. A transient hydrodynamic-geomechanical model will be developed through coupling with the calibrated FWU reservoir simulation model. The full physics coupled model will be used to train a reduced order proxy model using machine learning algorithm for estimating stress which will then be used with appropriate constitutive relationships and forward seismological models to simulate pressure changes and induced microseismicity. An advanced optimization framework will be developed to perform a history match to minimize error between field observations and simulated. The history matched proxy model will be verified against the full-physics equivalent. The field observations that will be used in the coupled model calibration process include pressure/stress inverted from VSP, moment magnitude from microseismic analysis, real time downhole pressure measurements, production and injection data. Parameter sensitivity and uncertainty analysis will be performed to characterize the impact of model parameter uncertainty on stress estimates. The proposed project will have significant impact on future field implementation of the proposed technology. Because the project field site is an ongoing CO 2 EOR development, the value of the new technology will be demonstrated in an operational context and evaluated as a viable risk mitigation strategy. Cost/benefit will be evaluated together with the various commercial incentives for CO 2 sequestration available to oil and gas operators. The extensive available dataset and ongoing data acquisition under the SWP Phase III work plan provides flexibility for investigation of multiple approaches and reduces technical risk.

58 GEOSCIENCES↗

DOE OSTI2024

Data Format and Descriptions for the Alabama Carbon Storage: Data Sharing and Engagement Project

The Alabama Carbon Storage: Data Sharing and Engagement (ACS-DSE) project seeks to develop publicly accessible geologic carbon storage models and data across the southern Gulf Coastal Plain of Alabama. The public online platform developed for this project will include geologic, geophysical, infrastructure, and other relevant datasets and geologic models of the study area. Datasets, model surfaces (e.g. structural contour maps, isolith maps, porosity maps), and infrastructure data (e.g. offshore pipelines, field boundaries) will be downloadable in commonly used file formats. The anticipated primary geologic datasets are well headers, formation tops, average reservoir properties, and core analyses; these will be available as commaseparated values (CSV) text files and MS Excel workbooks. Geophysical logs will be available in Log ASCII Standard (LAS) file format. Modeled surfaces, such as structure contour maps, will be available in ArcGIS formats and text files. Infrastructure data will be available as ArcGIS shapefiles. This document provides information on the data sources and attributes of the datasets.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2021

Triple-frequency radar retrieval of microphysical properties of snow

Abstract. An algorithm based on triple-frequency (X, Ka, W) radar measurements that retrieves the size, water content and degree of riming of ice clouds is presented. This study exploits the potential of multi-frequency radar measurements to provide information on bulk snow density that should underpin better estimates of the snow characteristic size and content within the radar volume. The algorithm is based on Bayes' rule with riming parameterised by the “fill-in” model. The radar reflectivities are simulated with a range of scattering models corresponding to realistic snowflake shapes. The algorithm is tested on multi-frequency radar data collected during the ESA-funded Radar Snow Experiment For Future Precipitation Mission. During this campaign, in situ microphysical probes were mounted on the same aeroplane as the radars. This nearly perfectly co-located dataset of the remote and in situ measurements gives an opportunity to derive a combined multi-instrument estimate of snow microphysical properties that is used for a rigorous validation of the radar retrieval. Results suggest that the triple-frequency retrieval performs well in estimating ice water content (IWC) and mean mass-weighted diameters obtaining root-mean-square errors of 0.13 and 0.15, respectively, for log 10IWC and log 10Dm. The retrieval of the degree of riming is more challenging, and only the algorithm that uses Doppler information obtains results that are highly correlated with the in situ data.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Stellar population models based on the SDSS-IV MaStar library of stellar spectra – I. Intermediate-age/old models

ABSTRACT We use the first release of the SDSS/MaStar stellar library comprising ∼9000, high S/N spectra, to calculate integrated spectra of stellar population models. The models extend over the wavelength range 0.36–1.03 µm and share the same spectral resolution ($R\sim 1800$) and flux calibration as the SDSS-IV/MaNGA galaxy data. The parameter space covered by the stellar spectra collected thus far allows the calculation of models with ages and chemical composition in the range $\rm {\mathit{ t}\gt 200 \,Myr, -2 \lt = [Z/H] \lt = + 0.35}$, which will be extended as MaStar proceeds. Notably, the models include spectra for dwarf main-sequence stars close to the core H-burning limit, as well as spectra for cold, metal-rich giants. Both stellar types are crucial for modelling λ > 0.7 µm absorption spectra. Moreover, a better parameter coverage at low metallicity allows the calculation of models as young as 500 Myr and the full account of the blue horizontal branch phase of old populations. We present models adopting two independent sets of stellar parameters (Teff, log g, [Z/H]). In a novel approach, their reliability is tested ‘on the fly’ using the stellar population models themselves. We perform tests with Milky Way and Magellanic Clouds globular clusters, finding that the new models recover their ages and metallicities remarkably well, with systematics as low as a few per cent for homogeneous calibration sets. We also fit a MaNGA galaxy spectrum, finding residuals of the order of a few per cent comparable to the state-of-art models, but now over a wider wavelength range.

Maraston, C.↗

DOE OSTI2026

Stacked reverberation mapping of high-redshift quasars in DESI. I. Feasibility analysis

The broad-line region of quasars has long been probed by reverberation mapping techniques that measure time lags between continuum and broad emission-line variations. Stacked reverberation mapping has been proposed as a less observationally expensive alternative to traditional methods. This ensemble approach also reduces biases from small-number statistics. The Dark Energy Spectroscopic Instrument (DESI) is conducting the most extensive spectroscopic survey of quasars to date. We create mock light curves emulating expected DESI quasar observations at redshifts $1.48\lt z\lt 5.2$ and luminosities $44.68 \le \log \lambda L_{1350 \mathring{\rm A}{}} / \mathrm{erg\, s^{-1}} \le 45.99$ to test stacked reverberation mapping feasibility using sparse spectroscopic data paired with well-sampled photometric data. The pipeline, using the lag estimation code JAVELIN (Just Another Vehicle for Estimating Lags In Nuclei), successfully recovers the simulated C IV lags within 1σ of the true values using spectroscopic light curves composed of only a few spectral epochs (2–10) with irregular cadences. We investigate how observational factors, including C IV flux error magnitude, number of stacked quasars, and spectral epoch count, affect performance. This work motivates a pathway for future stacked reverberation mapping projects with large-scale spectroscopic surveys of quasars having $\ge 2$ spectroscopic observations. Our results suggest an economical alternative for constraining and extending the radius–luminosity relation to higher redshifts and luminosities. Subsequently, this relation can be employed more reliably in single-epoch black hole mass measurements and quasar cosmology in these distant regimes.

quasars: general, quasars: supermassive black hole↗

DOE OSTI2020

Ordovician-Cambrian Units: Hierarchical Evaluation of Geologic Carbon Storage Resource Estimates

The Indiana Geological and Water Survey (IGWS) led subtask 1.1 to assess the regional distribution and estimate the storage capacity of Ordovician-Cambrian stratigraphic units located within the partnership region. A comprehensive data set of wireline logs and petrophysical information was used to generate these interpretations. These data include core analysis for porosity and permeability, mercury injection capillary pressure (MICP), and existing well data including location and stratigraphic information. This report includes storage resource estimates (SREs) for three potential storage reservoirs(limestone and dolostone from the Upper Ordovician Trenton Limestone/Black River Group and equivalent units, the Middle Ordovician St. Peter Sandstone, and primary target reservoir rocks of the Lower Ordovician and Upper Cambrian Knox Supergroup and equivalent units) calculated using six methodologies: (1) a fixed value of porosity of 10 percent in all units evaluated; (2) a unique average porosity (per well) from wireline-derived porosity (neutron, sonic, and/or density porosity for each unit); (3) porosity values from core analysis; (4) a depth-dependent porosity model (Knox Supergroup only); (5) porosity based on a model based on petrophysical facies; and (6) SREs using National Energy Technology Laboratory’s CO2 Storage prospeCtive Resource Estimation Excel aNalysis (CO2-SCREEN beta V2). All methods used the same values for thickness for each unit. However, the areal extent of each assessment was limited by the data available for each method. Estimated volumes were calculated in 1-by-1 kilometer grid cells and summarized as county and total stratigraphic unit volumes. The resultant SREs mass are displayed using boxplots, which allow for comparing data statistics (mean values and variability) between methods. Differences observed in SRE results from the six methods are mainly attributable to differences in the data and conceptual models used to interpret or estimate porosity in each method. Based on this systematic variability between methods, it is inferred that methods 1, 4, and 6 are best used for regional-scale reconnaissance estimates of storage capacity while methods 2, 3, and 5 are more appropriate for local scales where more data is required. All estimates are data-density dependent and different methods require different amounts of data for reasonable assessments. ArcMap 10.5.1 software was used to portray SREs to help visualize spatial variance of estimates for each methodology, and more importantly, to highlight those areas having the greatest total storage potential estimates.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2022

Development of QSAR models to predict blood-brain barrier permeability

Assessing drug permeability across the blood-brain barrier (BBB) is important when evaluating the abuse potential of new pharmaceuticals as well as developing novel therapeutics that target central nervous system disorders. One of the gold-standard in vivo methods for determining BBB permeability is rodent log BB; however, like most in vivo methods, it is time-consuming and expensive. In the present study, two statistical-based quantitative structure-activity relationship (QSAR) models were developed to predict BBB permeability of drugs based on their chemical structure. The in vivo BBB permeability data were harvested for 921 compounds from publicly available literature, non-proprietary drug approval packages, and University of Washington’s Drug Interaction Database. The cross-validation performance statistics for the BBB models ranged from 82 to 85% in sensitivity and 80–83% in negative predictivity. Additionally, the performance of newly developed models was assessed using an external validation set comprised of 83 chemicals. Overall, performance of individual models ranged from 70 to 75% in sensitivity, 70–72% in negative predictivity, and 78–86% in coverage. The predictive performance was further improved to 93% in coverage by combining predictions across the two software programs. These new models can be rapidly deployed to predict blood brain barrier permeability of pharmaceutical candidates and reduce the use of experimental animals.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Selection function of clusters in Dark Energy Survey year 3 data from cross-matching with South Pole Telescope detections

Context. Galaxy clusters selected based on overdensities of galaxies in photometric surveys provide the largest cluster samples. However, modeling the selection function of such samples is complicated by noncluster members projected along the line of sight (projection effects) and the potential detection of unvirialized objects (contamination). Aims. We empirically constrained the magnitude of these effects by cross-matching galaxy clusters selected in the Dark Energy Survey data with the redMaPPer algorithm with significant detections in three South Pole Telescope surveys (SZ, pol-ECS, pol-500d). Methods. For matched clusters, we augmented the redMaPPer catalog with the SPT detection significance. For unmatched objects we used the SPT detection threshold as an upper limit on the SZe signature. Using a Bayesian population model applied to the collected multiwavelength data, we explored various physically motivated models to describe the relationship between observed richness and halo mass. Results. Our analysis reveals a clear preference for models with an additional skewed scatter component associated with projection effects over a purely log-normal scatter model. We rule out significant contamination by unvirialized objects at the high-richness end of the sample. While dedicated simulations offer a well-fitting calibration of projection effects, our findings suggest the presence of redshift-dependent trends that these simulations may not have captured. Our findings highlight that modeling the selection function of optically detected clusters remains a complicated challenge that requires a combination of simulation and data-driven approaches.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Completion design improvement using a deep convolutional network

Maximizing stimulated natural and hydraulic fracture network is one of the primary hydraulic fracturing concerns for economic production from a horizontal shale gas well. Geomechanical facies and preexisting fractures in each stage are identified based on similarities in formation characteristics to optimize the locations of perforation clusters. This often requires analyzing large volumes of drilling, Logging While Drilling (LWD) and Measurement While Drilling (MWD) data. In this paper, we develop a methodology that calculates the mechanical specific energy (MSE) using real-time drill string acceleration signals directly from its definition. High resolution vibration signals have been collected using a tri-axial accerlometer, which was an auxiliary tool included in acoustic borehole imager. This technique provides a cost-efficient solution for engineered completion design. Furthermore, we adopt deep Convolutional Neural Network (CNN) with signal processing to build a data pipeline that effectively extracts patterns from dynamic acceleration signals for rock lateral MSE classification. First, we apply discrete wavelet transform and Short-Time Fourier Transform (STFT) for signal denoising and pattern recognition. Then we construct an image dataset using multi-scale image fusion at pixel level from 3 sensor channels, including axial, lateral acceleration spectrograms and zero-padded revolutions per minute (RPM). The resulted RGB image dataset includes 4,000 images of 5 MSE ranges with various rock strength conditions. Our results demonstrate that the proposed deep learning model can achieve more than 90% classification accuracy. The deep learning results, as a reference source, were applied in selected Marcellus Shale Energy and Environmental Lab (MSEEL) wells engineered completion located in the Marcellus shale gas site.

03 NATURAL GAS↗

DOE OSTI2023

Nearly-frustration-free ground state preparation

Solving for quantum ground states is important for understanding the properties of quantum many-body systems, and quantum computers are potentially well-suited for solving for quantum ground states. Recent work [1] has presented a nearly optimal scheme that prepares ground states on a quantum computer for completely generic Hamiltonians, whose query complexity scales as δ − 1 , i.e. inversely with their normalized gap. Here we consider instead the ground state preparation problem restricted to a special subset of Hamiltonians, which includes those which we term "nearly-frustration-free": the class of Hamiltonians for which the ground state energy of their block-encoded and hence normalized Hamiltonian α − 1 H is within δ y of -1, where δ is the spectral gap of α − 1 H and 0 ≤ y ≤ 1 . For this subclass, we describe an algorithm whose dependence on the gap is asymptotically better, scaling as δ y / 2 − 1 , and show that this new dependence is optimal up to factors of log ⁡ δ . In addition, we give examples of physically motivated Hamiltonians which live in this subclass. Finally, we describe an extension of this method which allows the preparation of excited states both for generic Hamiltonians as well as, at a similar speedup as the ground state case, for those which are nearly frustration-free.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Scalable multilevel Monte Carlo methods exploiting parallel redistribution on coarse levels

Here, we study an element agglomeration coarsening strategy that requires data redistribution at coarse levels when the number of coarse elements becomes smaller than the number of MPI processes used on the finest level. The overall procedure generates coarse elements (general unstructured unions of fine grid elements) within the framework of element-based algebraic multigrid methods (or AMGe) studied previously. The AMGe-generated coarse spaces have the ability to exhibit approximation properties of the same order as the fine-level spaces since by construction they contain the piecewise polynomials of the same order as on the fine level. These approximation properties are key for the successful use of AMGe in multilevel solvers for nonlinear partial differential equations as well as for multilevel Monte Carlo (MLMC) simulations. The ability to coarsen without being constrained by the number of MPI processes, as described in the present paper, allows to improve the scalability of these solvers as well as the overall MLMC method. The paper illustrates this latter fact with detailed scalability study of MLMC simulations applied to model Darcy equations with a stochastic log-normal permeability field.

AMGe↗

DOE OSTI2021

Pre-drilling Site Assessment: One Earth Energy

The Illinois Storage Corridor project will drill a test well in Ford County, IL, near the One Earth Energy facility in Gibson City, IL. Lithologic, geomechanical, and geophysical data collected from samples testing and an extensive geophysical logging suite will be used to determine the feasibility of the geologic sequestration of 50 million tonnes or more of injected carbon dioxide at this location. The primary target reservoir and caprock to be investigated for the Illinois Storage Corridor project are the Mt. Simon Sandstone and Eau Claire Formation, respectively, which together constitute a storage complex that has already been successfully used for natural gas storage in east-central Illinois and for geologic sequestration of carbon dioxide in south-central Illinois. The Lower Mt. Simon, which includes a high- porosity and -permeability arkosic layer, is being targeted as the primary storage zone. Regional maps of this unit indicate that the Lower Mt. Simon is expected to have excellent reservoir characteristics and high net thickness at the drill site.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗