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FY22 Laboratory Directed Research and Development Annual Report

The Laboratory Directed Research and Development (LDRD) program yields foundational scientific research and development (R&D) essential to growing SRNL’s core competencies, in alignment with SRNL’s Strategic Plan to provide long-term benefits to the Department of Energy (DOE), the National Nuclear Security Administration (NNSA), and other customers and stakeholders. Five strategic goals are outlined in SRNL’s strategic plan: 1) Provide applied science and engineering for EM’s active clean-up sites and LM’s post closure management sites; 2) Provide science-based solutions for gaps identified in nonproliferation strategic vision and support the government in actives impacting national security; 3) Lead ST&E as the central technical authority for processing tritium loaded reservoirs and support production of plutonium pits; 4) Align science and energy security programs by focusing modern modeling, simulation, and data analytics tools on materials engineering and performance applications; 5) Build a workforce for the future.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A data-driven CO 2 leakage detection using seismic data and spatial–temporal densely connected convolutional neural networks

In carbon capture and sequestration (also known as carbon capture and storage, or CCS), developing effective monitoring methods is needed to detect and respond to CO 2 leakage. CO 2 leakage detection methods rely on geophysical observations and monitoring sensor network. However, traditional methods usually require the development of site-specific physical models and expert interpretation, and the effectiveness of these methods can be limited to different application locations, operational scenarios, and conditions. Here, we developed a novel data-driven leakage detection method based on densely connected convolutional neural networks. Our method is an end-to-end detection approach, that differs from conventional leakage monitoring methods by directly learning a mapping relationship between seismic data and the CO 2 leakage mass. To account for the spatial and temporal characteristics of seismic data, our novel networks architecture combines 1D and 2D convolutional neural networks. To overcome the computational expense of solving optimization problems, we apply a densely-connecting strategy in our network architecture that reduces the number of network parameters. Based on the features generated by our convolutional neural networks, we further incorporate a long short-term memory network to utilize time-sequential information, which further improves the detection accuracy. Lastly, we employ our detection method to synthetic seismic datasets generated based on flow simulations of a hypothetical CO 2 storage scenario with injection into a partially compartmentalized sandstone storage reservoir. To evaluate method performance, we conducted multiple experiments including a random leakage test, a sequential test, and a robustness test. Numerical results show that our CO 2 leakage detection method successfully detects the leakage and accurately predicts the leakage mass, suggesting that it has the potential for application in monitoring of real CO 2 storage sites.

58 GEOSCIENCES↗

Model representations of kerogen structures: An insight from density functional theory calculations and spectroscopic measurements

Molecular structures of kerogen control hydrocarbon production in unconventional reservoirs. Significant progress has been made in developing model representations of various kerogen structures. These models have been widely used for the prediction of gas adsorption and migration in shale matrix. However, using density functional perturbation theory (DFPT) calculations and vibrational spectroscopic measurements, we here show that a large gap may still remain between the existing model representations and actual kerogen structures, therefore calling for new model development. Using DFPT, we calculated Fourier transform infrared (FTIR) spectra for six most widely used kerogen structure models. The computed spectra were then systematically compared to the FTIR absorption spectra collected for kerogen samples isolated from Mancos, Woodford and Marcellus formations representing a wide range of kerogen origin and maturation conditions. Limited agreement between the model predictions and the measurements highlights that the existing kerogen models may still miss some key features in structural representation. A combination of DFPT calculations with spectroscopic measurements may provide a useful diagnostic tool for assessing the adequacy of a proposed structural model as well as for future model development. This approach may eventually help develop comprehensive infrared (IR)-fingerprints for tracing kerogen evolution.

03 NATURAL GAS↗

A statistical survey of the central plasma sheet

We present a statistical analysis of the ion plasma properties and magnetic field of the central plasma sheet at distances from 10 to 23 R(sub E) from the Earth. This study incorporates International Sun-Earth Explorer (ISEE) 1 plasma sheet samples accumulated with the University of Iowa Lepedea plasma analyzer during 1979. Our study of the bulk properties of the ion plasma shows that there is relatively little change as a result of increasing geomagnetic activity. The main macroscopic effect is an increase in plasma temperature. When the transverse profile of the plasma sheet is examined, it is clear that this increase in temperature occurs preferentially at high latitudes. The magnetic field shows an increase in magnitude in the vicinity of the neutral sheet periods of high geomagnetic activity. The radial profiles of the density, temperature, plasma, and magnetic pressures show a gradient in total energy density in the plasma sheet. The convective velocities are systematically directed earthward, and there is a bias toward positive V(sub y) on the duskside of the magnetotail. We infer that particle motion can be attributed to a pressure gradient, combined with steady state convective electric fields. We compute the convective electric fields from our measured bulk velocities, arriving at a pattern similar to that observed at low altitudes. The cross-tail electric field E(sub y) is dominant near the neutral sheet region, but at high latitudes E(sub z) is a major component. Our results suggest that the plasma sheet boundary layer, rather than the central plasma sheet, is a region of diverging electric fields. The picture of the plasma sheet that emerges from our study is that of a stable reservoir of hot plasma in which thermodynamic, rather than dynamic, processes is important.

Huang, C. Y.↗

Evolutionary Optimization for Neuromorphic Systems

Designing and training an appropriate spiking neural network for neuromorphic deployment remains an open challenge in neuromorphic computing. In 2016, we introduced an approach for utilizing evolutionary optimization to address this challenge called Evolutionary Optimization for Neuromorphic Systems (EONS). In this work, we present an improvement to this approach that enables rapid prototyping of new applications of spiking neural networks in neuromorphic systems. We discuss the overall EONS framework and its improvements over the previous implementation. We present several case studies of how EONS can be used, including to train spiking neural networks for classification and control tasks, to train under hardware constraints, to evolve a reservoir for a liquid state machine, and to evolve smaller networks using multi-objective optimization.

Schuman, Catherine↗

Multi-resolution processing for fractal analysis of airborne remotely sensed data

Fractal geometry is increasingly becoming a useful tool for modeling natural phenomenon. As an alternative to Euclidean concepts, fractals allow for a more accurate representation of the nature of complexity in natural boundaries and surfaces. Since they are characterized by self-similarity, an ideal fractal surface is scale-independent; i.e. at different scales a fractal surface looks the same. This is not exactly true for natural surfaces. When viewed at different spatial resolutions parts of natural surfaces look alike in a statistical manner and only for a limited range of scales. Images acquired by NASA's Thermal Infrared Multispectral Scanner are used to compute the fractal dimension as a function of spatial resolution. Three methods are used to determine the fractal dimension - Schelberg's line-divider method, the variogram method, and the triangular prism method. A description of these methods and the results of applying these methods to a remotely-sensed image is also presented. Five flights were flown in succession at altitudes of 2 km (low), 6 km (mid), 12 km (high), and then back again at 6 km and 2 km. The area selected was the Ross Barnett reservoir near Jackson, Mississippi. The mission was flown during the predawn hours of 1 Feb. 1992. Radiosonde data was collected for that duration to profile the characteristics of the atmosphere. This corresponds to 3 different pixel sizes - 5m, 15m, and 30m. After, simulating different spatial sampling intervals within the same image for each of the 3 image sets, the results are cross-correlated to compare the extent of detail and complexity that is obtained when data is taken at lower spatial intervals.

Jaggi, S.↗

Streamline-Based Time-Lapse-Seismic-Data Integration Incorporating Pressure and Saturation Effects

In this paper, we present an efficient history-matching technique that simultaneously integrates 4D repeat seismic surveys with well-production data. This approach is particularly well-suited for the calibration of the reservoir properties of high-resolution geologic models because the seismic data are a really dense but sparse in time, whereas the production data are finely sampled in time but spatially averaged. The joint history matching is performed by use of streamline-based sensitivities derived from either finite-difference or streamline-based flow simulation. For the most part, earlier approaches have focused on the role of saturation changes, but the effects of pressure have largely been ignored. Here, we present a streamline-based semianalytic approach for computing model-parameter sensitivities, accounting for both pressure and saturation effects. The novelty of the method lies in the semianalytic sensitivity computations, making it computationally efficient for high-resolution geologic models. The approach is implemented by use of a finite-difference simulator incorporating the detailed physics. Its efficacy is demonstrated by use of both synthetic and field applications. Lastly, for both the synthetic and the field cases, the advantages of incorporating the time-lapse variations are clear, seen through the improved estimation of the permeability distribution, the pressure profile, the evolution of the fluid saturation, and the swept volumes.

58 GEOSCIENCES↗

Computed Tomography Scanning and Geophysical Measurements of the Smackover Formation from the Roberson 18-19 Core

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the U.S. Department of Energy’s (DOE) National Energy Technology Laboratory (NETL) site in Morgantown, West Virginia, were used to characterize the Upper Jurassic (Oxfordian) Smackover limestone in the Roberson 18-19 1-15H core retrieved from the Atlanta Field, Columbia County, Arkansas. The 365.68-ft long Roberson core came from a vertical well at depths 8,802 ft to 9,169.60 ft, drilled by Southwestern Energy targeting the Smackover Formation as a potential unconventional oil reservoir. The primary impetus of this work was to non-destructively characterize core from the Smackover Formation that was acquired through a core exchange with Southwestern Energy. The Smackover Formation is an unconventional limestone play in southern Arkansas. This report and the associated scans provide detailed datasets not typically made publicly available from unconventional limestone for analysis. The resultant datasets are presented in this report and can be accessed from NETL’s Energy Data eXchange (EDX) online system using the following link: https://edx.netl.doe.gov/dataset/roberson-smackover.

58 GEOSCIENCES↗

CO 2 /Brine/Rock Interactions in the Cedar Keys-Lawson Formation

It has been reported that among the various geologic storage options, deep saline aquifers have the largest estimated capacity for CO 2 storage. Obtaining knowledge of possible artificially geochemically induced changes to the permeability and porosity of host CO 2 storage deposits will enable us to gain insight on long-term reservoir behavior under CO 2 storage conditions. An experimental study of the interaction of CO 2 /brine/rock on saline formations was conducted in a static system under CO 2 storage conditions. Chemical interactions in the Cedar Keys-Lawson Formation carbonate during exposure to CO 2 and brine under sequestration conditions were studied. Samples were exposed to the simulated in-situ reaction conditions for one and six months. The samples were exposed to a model brine at 55 °C and CO 2 pressure of 23.8 MPa (3,500 psig). Computed tomography (CT), x-ray diffraction (XRD), scanning electron microscopy (SEM)-energy dispersive x-ray spectroscopy (EDS), brine composition, core porosity, and core permeability analyses were conducted prior to and after the exposure experiments. Preliminary permeability measurements obtained from the core samples showed changes after they were exposed to CO 2 -saturated brine for one and six months. This observation suggests that mineral dissolution and mineral precipitation could occur in the host deposit altering its characteristics for CO 2 storage over time. The 3D images of the pore space clearly illustrate the degree of dissolution that occurred during exposure. It is noted that the dissolution that occurred during the six-month exposure could have enhanced the connectivity between voids. This may contribute the increase of permeability after the CO 2 /brine exposure. In addition, the primary minerals comprising the core are dolomite and gypsum. Both minerals could dissolve in the CO 2 /brine environment resulting in the increase of permeability after the six-month exposure.

58 GEOSCIENCES↗

Big Data Meets Geothermal Exploration (CRADA Final Report)

As part of the Cyclotron Road program, Zanskar Geothermal & Minerals, Inc. investigated the application of micro-earthquake and ambient noise seismology methods to imaging and characterizing the structural characteristics and hydrothermal flux of subsurface faults. Significant advances in what could be resolved were enabled by two major developments in seismology: 1) the availability of large-n arrays of low-cost seismometers, and 2) the availability of increased computational power and semi-automated data reduction algorithms. In tandem, these advances may improve the signal-to-noise ratio and spatial precision of the data collected and enable higher-resolution characterization of subsurface fracture systems and their spatio-temporal evolution. These tools supported efforts to reduce dry-hole risk and to improve wellfield productivity for geothermal resource development. In particular, two applications of these advances were evaluated: 1) fracture-seismic imaging, which was used to detect ambient emissions from fluid-filled fractures, and 2) reservoir tomography, which used information about travel paths, source locations, and source parameters of micro-earthquakes to identify areas of enhanced permeability. Integration of these methods provided guidance for siting wells and served as prior constraints for reservoir models, informing forecasts of power potential and production and injection strategies aimed at minimizing temperature decline and improving overall resource productivity.

15 GEOTHERMAL ENERGY↗

Experimental flow-through a single fracture with monolayer proppant at reservoir conditions: A case study on Caney Shale, Southwest Oklahoma, USA

Global energy systems are undergoing a crucial transition to clean energy sources, thereby moving away from fossil-fuel based energy with the ultimate aim of reducing carbon dioxide emissions. It is essential to continue to advance in exploring and developing shale gas resources as this will underpin the global supply of natural gas that is needed to support the energy transition. The challenge hereby is that the slow fluid flow of the shale matrix due to its very low permeability requires large-scale volume fracturing to produce a conductive fracture network that enhances the connectivity between the shale formation and the wellbore. This work examines the influence of a thin proppant layer on a single fracture using a flow-through experiment, and also explores whether proppant embedment in the Caney shale is affected by the rock mineralogy, surface roughness, fluids, confining stress, time, temperature and bedding. The experiment was conducted for a duration of nine days (216 h), experimental temperature was varied from ambient temperature to reservoir temperature of 125 °C (257 °F) and confining stress was varied from 367 psi (2.53MPa) to a maximum of 4011.82 psi (27.66 MPa). Here, we find that the conductivity of the fracture is primarily influenced by the layer of proppant used, surface roughness, mineralogy, fluids, temperature and closure stress.

Caney shale↗

Optimal CO 2 storage management considering safety constraints in multi-stakeholder multi-site GCS projects: A Markov game perspective

Geological carbon storage (GCS) projects could involve a diverse array of stakeholders or players from public, private, and regulatory sectors, each with different objectives and responsibilities. Given the complexity, scale, and long-term nature of GCS operations, determining whether individual stakeholders can independently optimize their interests — or whether collaborative coalition agreements are needed — remains a central question for effective GCS project planning and management. To access large, high-quality storage resources, future GCS deployment may increasingly occur in geologically connected sites, where shared geological features such as pressure space and reservoir pore capacity can lead to competitive behavior among stakeholders. In this work, we propose a paradigm based on Markov games to quantitatively investigate how different coalition structures affect the goals of stakeholders. We frame this multi-stakeholder multi-site problem as a multi-agent reinforcement learning problem with safety constraints. Our approach enables agents to learn optimal strategies while complying with safety regulations. We present an example where multiple operators are injecting CO 2 into their respective project areas in a geologically connected basin. To address the high computational cost of repeated simulations of high fidelity models, a previously developed surrogate model based on the Embed-to-Control (E2C) framework is employed. Our results demonstrate the effectiveness of the proposed framework in addressing optimal management of CO 2 storage when multiple stakeholders with different objectives and goals are involved.

58 GEOSCIENCES↗

Fracture Characterization Via AI‐Assisted Analysis of Temperature Logs

Abstract Fractures control fluid flow, mass transport, and heat transfer in a geothermal reservoir. This makes accurate characterization of fracture networks a prerequisite for optimal design and control of a reservoir's exploitation. We develop a deep‐learning procedure to identify fracture locations via interpretation of temporally and spatially continuous downhole temperature measurements. A long short‐term memory fully convolutional network (LSTM‐FCN) is used both to capture long‐term dependencies in sequential temperature data and to distill local features around fractures. A wellbore and fractured‐reservoir thermal model is established to generate temperature data for network training. The trained LSTM‐FCN exhibits a unique ability to detect multiple fractures intersecting a borehole. We use the LSTM‐FCN algorithm to evaluate the effectiveness of different‐stage wellbore temperature measurements on fracture detection in a complex fractured system. Our experiments reveal that the use of various‐stage temperature information as an input feature set improves the robustness of fracture detection to noise interference. This study indicates the practical feasibility of obtaining accurate fracture‐network reconstructions from temperature signals, at reasonable computational cost.

Yang, Xiaoyu↗

On the Boundary Conditions at an Oscillating Contact Line: A Physical/Numerical Experimental Program

We will pursue an improved physical understanding and mathematical model for the boundary condition at an oscillating contact line at high Reynolds number. We expect that the body force is locally unimportant for earth-based systems, and that the local behavior may dominate the mechanics of partially-filled reservoirs in the microgravity environment. One important space-based application for this contact-line study is for Faraday-waves. Oscillations in the direction of gravity (or acceleration) can dominate the fluid motion during take-off and reentry with large steady-state accelerations and in orbit, where fluctuations on the order of 10(exp -4)g occur about a zero mean. Our experience with Faraday waves has shown them to be 'cleaner' than those produced by vertical or horizontal oscillation of walls. They are easier to model analytically or computationally, and they do not have strong vortex formation at the bottom of the plate. Hence many, if not most, of the experiments will be performed in this manner. The importance of contact lines in the microgravity environment is well established. We will compare high resolution measurements of the velocity field (lO micro-m resolution) using particle-tracking and particle-image velocimetry as the fluid/fluid interface is approached from the lower fluid. The spatial gradients in the deviation provide additional means to determine an improved boundary condition and a measure of the slip region. Dissipation, the size of the eddy near the contact line, and hysteresis will be measured and compare to linear and nonlinear models of viscous and irrotational but dissipative models.

Perlin, Marc↗

A machine learning model for predicting the minimum miscibility pressure of CO 2 and crude oil system based on a support vector machine algorithm approach

CO 2 enhanced oil recovery (EOR) is a potential way for carbon capture, utilization and storage (CCUS). Though, the effect of CO 2 injection is greatly influenced by the reservoir conditions. Typically, Minimum miscible pressure (MMP) is selected as one of the key parameters for the screening and evaluation of prospective CO 2 flooding. Conventional slim tube test is both accurate and widely accepted but it is inefficient. Existing empirical formulas for MMPs are easy to be used but have been proved inaccurate and unreliable. Machine learning-based methods have great advantages in predicting MMP. However, only predication accuracy is discussed for most models without the screening of the main control factors and further validation of the model reliability. In this paper, a new prediction model based on support vector machine (SVM) was developed for pure/impure CO 2 and crude oil system. This study was based on 147 sets of MMP data from the literature with full information on reservoir temperature, oil composition and gas composition. The main control factors were screened by several statistical methods. Unlike the conventional prediction models that verified by only prediction accuracy, learning curve and single factor control variable analysis are further validated to obtain the optimum model.

02 PETROLEUM↗

Transport and Clogging of Particulate Flow in Fracture Systems

The aim of the project is to understand the effects of confinement in narrow rough-walled fractures on the transport behavior of fluids and suspended particles in subsurface hydro- carbon reservoirs. A key motivation for the study is that such fracture systems provide the highest throughput in oil and gas extraction and have been the focus of recent industrial activity. The scientific challenge is to understand how the confined geometry alters transport phenomena, and in particular its influence on (diagnostic) tracer transport and the effects of flow channeling and clogging on fluid motion. An important complicating feature of geological fractures is the self-affine fractal nature of their surface roughness, leading to irregular but correlated fluid and particle motion. The key technique used is computer simulation, augmented by analytical calculations and collaboration with outside experimental colleagues when possible. The principal topics studied were fluid permeability, tracer dispersion, flow channeling and anisotropy, particle transport in narrow channels and particle trapping in tight fractures.

58 GEOSCIENCES↗

Experimental and numerical investigation of proppant embedment and conductivity reduction within a fracture in the Caney Shale, Southern Oklahoma, USA

The current worldwide energy supply is insufficient to meet the rising demand. As a result, the energy prices are expected to keep soaring despite the recent increases in a variety of renewable energy resources. Although not renewable, shale oil and gas — “unconventional” hydrocarbon resources are relatively clean forms of energy resources, which still hold a vast share of the energy market. For many oil and gas companies, meeting profitable production goals from shale reservoirs is sometimes challenging, due to the loss of fracture conductivity and premature declines in the production. In this paper we investigate the stress-dependent changes in the hydraulic conductivity of proppant-filled fractures and mechanical fracture–proppant interactions in Caney Shale, a calcareous, organic-rich mudrock, through laboratory experiments and numerical modeling. American Petroleum Institute (API) fracture conductivity tests were conducted using 2% KCl on five locations within the Caney Shale that consisted of selecting three brittle (reservoir) zones and two ductile zones. Confining pressures ranged from 1,000 psi to 12,000 psi at 210 °F. Conductivity, permeability as well as embedment were measured during the test. Also, an additional, laboratory in-situ visualization test was conducted to examine the detailed proppant-shale matrix interaction under elevated stress (3,920 psi effective stress) and temperature (252 °F), with a synthetic reservoir fluid. Our experimental results have confirmed that improved fracture conductivity is attributed to proppant size, and that the increase in porosity of the proppant pack, closure pressure changes and the reduction in fracture conductivity are a function of many factors such as fracture closure stress.

04 OIL SHALES AND TAR SANDS↗