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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Building confidence in models for complex barrier systems for radionuclides

The modeling and simulation of the Cement-clay Interaction-Diffusion field (CI-D) experiment at the Mont Terri site in Switzerland presented here demonstrates that it is possible to capture the multiscale physical and chemical features of natural and engineered barrier systems for radionuclides. The simulations are successfully carried out with the newly developed CrunchODiTi high-performance computing software that accounts for multiple continua, including a continuum representing the electrical double layer (EDL) developed along negatively charged clay particles in clay rock. The simulation also accounts for both the complex three-dimensional (3D) geometry, expected as the norm in a geological waste repository, and the anisotropy of the geological formation. In addition, the high resolution of the model makes it possible to include "skin effects" developed at the interface between highly reactive materials, in this case between the high pH cement and the circumneutral but electrostatic Opalinus Clay. The successful history matching with the field experiment demonstrates that the distinct geochemical and physical properties of the cement and the Opalinus Clay in the CI-D experiment can be accounted for. Such analyses are essential for developing a defensible safety case for the underground storage of radioactive waste.

Sarsenbayev, Dauren↗
DOE OSTI2017

A laboratory validation study of the time-lapse oscillatory pumping test for leakage detection in geological repositories

Geologic repositories are extensively used for disposing byproducts in mineral and energy industries. The safety and reliability of these repositories are a primary concern to environmental regulators and the public. Time-lapse oscillatory pumping test (OPT) has been introduced recently as a pressure-based technique for detecting potential leakage in geologic repositories. By routinely conducting OPT at a number of pulsing frequencies, an operator may identify the potential repository anomalies in the frequency domain, alleviating the ambiguity caused by reservoir noise and improving the signal-to-noise ratio. Building on previous theoretical and field studies, this work performed a series of laboratory experiments to validate the concept of time-lapse OPT using a custom made, stainless steel tank under relatively high pressures. The experimental configuration simulates a miniature geologic storage repository consisting of three layers (i.e., injection zone, caprock, and above-zone aquifer). Here results show that leakage in the injection zone led to deviations in the power spectrum of observed pressure data, and the amplitude of which also increases with decreasing pulsing frequencies. The experimental results are further analyzed by developing a 3D flow model, using which the model parameters are estimated through frequency domain inversion.

58 GEOSCIENCES↗
DOE OSTI2021

Experimental workflow to estimate model parameters for evaluating long term viscoelastic response of CO2 storage caprocks

Understanding the time-dependent behavior of reservoir and sealing formations is critical to assessing risks associated with geological carbon storage since time-dependent deformation strongly influences mechanical responses of some rock types. Many studies have evaluated the risk of CO2 leakage and induced seismicity by assuming poroelastic rheology in sealing formations. Few have considered viscoelastic or other time-dependent responses, where the existing literature adopts 1D models to represent long-term time-dependent responses. This is primarily because to date, the general form of a reasonable 3D time-dependent model for rocks remains unclear. In this paper, we address this unclear issue by proposing a new workflow to select constitutive modeling parameters to evaluate if a 3D viscoelastic model is reasonable using several-hour-long experimental data and a power-law response to extrapolate to the decades-long time frames of interest in geologic carbon storage. To provide experimental data, we conducted multi-level loading/unloading triaxial relaxation tests with four rock types. The experimental results showed that the maximum load relaxation observed is approximately 49%, with some rock types showing as little as 1.4%. Using a simple linear viscoelastic model, parameters were chosen such that a maximum deviation of 1.5 MPa in axial stress and 7 MPa in radial stress was attained with the extrapolated 30-year data. We found that a reasonable parameter range for the normalized elastic modulus is 0.1~2 for rocks with significant time-dependent responses and 0.01~0.06 for those with small time-dependent responses. No matter how significant time-dependent responses are for rocks considered, our results showed that the relaxation time has a general range of 1~10^10 s, whose time scale can be one or two orders higher than a time frame typically envisioned for CO2 injection projects.

Stress relaxation, 3D time-dependent model, viscoe↗
DOE OSTI2022

A Geo‐Structurally Based Correction Factor for Apparent Dissolution Rates in Fractured Media

Abstract Field measurements of apparent geochemical weathering reaction rates in subsurface fractured porous media are known to deviate from laboratory measurements by multiple orders of magnitude. To date, there is no geologically based explanation for this discrepancy that can be used to predict reaction rates in field systems. Proposed correction factors are typically based on ad hoc characterizations related to geochemical kinetic models. Through a series of high‐fidelity reactive transport simulations of mineral dissolution within explicit 3D discrete fracture networks, we are able to link the geo‐structural attributes with reactive transport observations. We develop a correction factor to linear transition state theory for the prediction of the apparent dissolution rate based on measurable geological properties. The modified rate law shows excellent agreement with numerical simulations, indicating that geological structure could be a primary reason for the discrepancy between laboratory and field observations of apparent dissolution rates in fractured media.

58 GEOSCIENCES↗
DOE OSTI2018

Development of 3-D Geological Model of Tuscarora Sandstone for Feasibility of Deep Direct-Use Geothermal at West Virginia University’s Main Campus

The Morgantown campus of West Virginia University (WVU) is uniquely positioned to host the first geothermal deep direct-use district heating system in the eastern United States. While much of the eastern United States is not blessed with extremely high heat flow and elevated temperatures, the northeastern part of West Virginia is unique in having a basin that is expected to support the achievable flowrate of geofluid through target formations, with sufficient temperatures at depth. These two factors were identified in the 2006 MIT Future of Geothermal Energy Report to be the two most critical factors in minimizing cost of geothermal energy. Our overall project objective is to determine the feasibility of designing a Geothermal District Heating and Cooling (GDHC) system for the West Virginia University campus utilizing Geothermal Deep Direct-Use (DDU) by 1) minimization of the uncertainty and risk associated with developing the geothermal resource for use on campus at WVU and 2) completion of an optimized design for the geothermal system, minimizing the delivered Levelized Cost of Heat (LCOH). Our first goal, to minimize the risk of project development, will be achieved by decreasing the uncertainty in both the subsurface geothermal system as well the surface distribution system. The subsurface uncertainty is dominated by the uncertainty in the projections of geofluid flowrate in the target formation, the Tuscarora Sandstone. In this paper, three cores from the heterogeneous reservoir, available through West Virginia Geologic and Economic Survey, are analyzed by performing core analysis using CT scanning and permeability measurements via minipermeameter. Additional geological data are collected through cores, published literature, seismic data, and nearby, existing wells to estimate thickness, fracture network configuration and geothermal gradient to minimize the uncertainty of well deliverability. Using these estimated reservoir properties; a 3D conceptual model for the proposed geothermal site is developed.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Development of Time Lapse VSP Integration Workflow: A Case Study at Farnsworth CO2-EOR Project

Abstract This study aims to develop a 4D Vertical Seismic Profile (VSP) integration workflow to improve the prediction of subsurface stress changes. The selected study site is a 5-spot pattern within the ongoing CO2-EOR operations at the Farnsworth Field Unit FWU in Ochiltree County, Texas. The specific pattern has undergone extensive geological and geomechanical characterization through the acquisition of 3D seismic data, geophysical well logs, and core. This workflow constrains a numerical hydromechanical model by applying a penalty function formed between "modeled" versus "observed" time-lapse compressional and shear seismic velocity changes. Analyses of geophysical logs and ultra-sonic measurements on core exhibit measurable sensitivities to changes in both fluid saturation and mean effective stress. These data are used to develop a site-specific rock physics model and stress-velocity relationship, which inform the numerical models used to generate the "modeled" portion of the penalty function. The "observed" portion of the penalty function is provided by a novel elastic full-waveform inversion of the available 3D baseline and three monitor surveys to produce high-quality estimates of time-lapse compressional and shear seismic velocity changes. The modeling workflow accounts sequentially for fluid substitution and stress impacts. Hydrodynamic and geomechanical properties of the 3D coupled numerical model are estimated through geostatistical integration of well log and core data with 3D seismic inversion products. Changes in seismic velocities due to fluid substitution are computed using the Biot-Gassmann workflow and site-specific rock physics. Stress impacts on time-lapse seismic velocity changes are modeled from the effective stress output of the hydromechanical model and are initially based on the velocity versus effective stress relationship extracted from core mechanical testing. Based on the principle of superposition of seismic wavefields, seismic velocity changes attributed to fluid substitution and that due to changes in mean effective stress are treated as linearly additive. The modeled results are upscaled using Backus averaging to reconcile scale discrepancies between the modeled and measured datasets to formulate the penalty function. This manuscript presents the forward modeling process and concludes that for the base case, the seismic velocity changes due to mean effective stress dominates over the seismic velocity changes attributed to fluid substitution because of the extensive range of the pressure perturbations. Successful minimization of this penalty function calibrates the coupled hydrodynamic geomechanical numerical model and affirms the suitability of acoustic time-lapse measurements such as 4D-VSP for geomechanical calibration.

02 PETROLEUM↗
NASA NTRS2017

Plume-Surface Interaction Modeling for a Human-Scale Mars Lander

Landing vehicles impart thermal and strain energy onto the landing site from the retrorocket exhaust. Depending on the design of the vehicle, the energy may be great enough to cause spallation at the landing site. This damage may be minor and repairable in the case of landing on a terrestrial landing pad. For missions to other planetary bodies, the spallation may cause the landing site to become uneven and unstable, as well as damage. Simulating this phenomenon in a laboratory or computationally would require a significant amount of time and other resources. These resources typically are not available during the design phase of a mission. This paper presents a computationally-efficient model for the temperature and stress distributions that arise during landing. These quantities can be used along with existing failure criteria, such as the Hoek-Brown criterion for geological materials, to quickly determine whether spallation will occur. The stress and temperature distributions at the landing site are inherently 3D; however, there is a plane of symmetry and in that plane the distributions are 2D. Both quantities are modeled using series solutions to their governing partial differential equations (PDEs). The stress is modeled using the Airy stress potential function and its governing PDE is the biharmonic equation. The temperature is governed by Fourier's law. The models assume that stress due to gravity can be neglected, the points in the plane do not accelerate, and that the material properties are constant.

Hart, Kenneth↗
DOE OSTI2016

An advanced joint inversion system for CO 2 storage modeling with large date sets for characterization and real-time monitoring-enhancing storage performance and reducing failure risks under uncertainties

As large-scale, commercial storage projects become operational, the problem of utilizing information from diverse sources becomes more critically important. In this project, we developed, tested, and applied an advanced joint data inversion system for CO 2 storage modeling with large data sets for use in site characterization and real-time monitoring. Emphasis was on the development of advanced and efficient computational algorithms for joint inversion of hydro-geophysical data, coupled with state-of-the-art forward process simulations. The developed system consists of (1) inversion tools using characterization data, such as 3D seismic survey (amplitude images), borehole log and core data, as well as hydraulic, tracer and thermal tests before CO 2 injection, (2) joint inversion tools for updating the geologic model with the distribution of rock properties, thus reducing uncertainty, using hydro-geophysical monitoring data, and (3) highly efficient algorithms for directly solving the dense or sparse linear algebra systems derived from the joint inversion. The system combines methods from stochastic analysis, fast linear algebra, and high performance computing. The developed joint inversion tools have been tested through synthetic CO 2 storage examples.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Iterative multi-task learning and inference from seismic images

Seismic interpretation aims to extract quantitative and interpretable attributes from a seismic image produced using some migration method to inform characteristics of a subsurface reservoir or target of interest. Current paradigms for computing seismic attributes mostly rely on single-task algorithms. We develop an iterative, multi-task machine learning method to learn and infer multiple attributes from a seismic image. This method is composed of two stages: a multi-task inference stage and a multi-modal, multi-task refinement stage. The basic mechanism of this method is that we train a multi-task inference neural network (NN) to estimate a set of attributes, including a relative geological time (RGT), a denoised higher-resolution (DHR) seismic image, and multiple fault attributes (including probability, dip, and strike), from a low-resolution, noisy seismic image; then we input the inferred attributes to a multi-task refinement NN to enhance the raw inference results iteratively. The two multi-task NNs are trained separately based on synthetic seismic images and associated attributes generated by a geological modeling algorithm. The software we intend to release is a PyTorch implementation of this multi-task learning method for both 2D and 3D cases along with scripts to run the training/validation. The algorithm and software can be a useful tool for automatic seismic interpretation.

Gao, Kai↗
DOE OSTI2025

Simulating Isotropic Rayleigh Wave Horizontal to Vertical Ratios at Rock Valley

Elastic anisotropy in the subsurface can manifest from pre-existing structure or stress-induced cracking – both phenomena are of interest at the Rock Valley site in Nevada. The azimuthal dependence of Rayleigh wave ellipticity, also known as H/V, can reveal elastic anisotropy, but the effect of isotropic variability in H/V must first be accounted for. To that end, we simulate synthetic seismograms from a ring of sources in a fully 3-D isotropic velocity model that captures the geology at Rock Valley. We measure H/V from these waveforms and compare them with H/V predictions obtained using 1D models extracted at specific locations from the 3D model. We find that an average of the azimuthal H/V measurements from the 3-D simulations and 1-D predictions agree, but that the azimuthal variability of H/V is a large fraction of the mean value. These results estimate the noise character in azimuthal H/V so it can be factored out of future anisotropic simulations.

58 GEOSCIENCES↗
DOE OSTI2021

Deposition, Diagenesis, and Sequence Stratigraphy of the Pennsylvanian Morrowan and Atokan Intervals at Farnsworth Unit

Farnsworth Field Unit (FWU), a mature oilfield currently undergoing CO2-enhanced oil recovery (EOR) in the northeastern Texas panhandle, is the study area for an extensive project undertaken by the Southwest Regional Partnership on Carbon Sequestration (SWP). SWP is characterizing the field and monitoring and modeling injection and fluid flow processes with the intent of verifying storage of CO2 in a timeframe of 100–1000 years. Collection of a large set of data including logs, core, and 3D geophysical data has allowed us to build a detailed reservoir model that is well-grounded in observations from the field. This paper presents a geological description of the rocks comprising the reservoir that is a target for both oil production and CO2 storage, as well as the overlying units that make up the primary and secondary seals. Core descriptions and petrographic analyses were used to determine depositional setting, general lithofacies, and a diagenetic sequence for reservoir and caprock at FWU. The reservoir is in the Pennsylvanian-aged Morrow B sandstone, an incised valley fluvial deposit that is encased within marine shales. The Morrow B exhibits several lithofacies with distinct appearance as well as petrophysical characteristics. The lithofacies are typical of incised valley fluvial sequences and vary from a relatively coarse conglomerate base to an upper fine sandstone that grades into the overlying marine-dominated shales and mudstone/limestone cyclical sequences of the Thirteen Finger limestone. Observations ranging from field scale (seismic surveys, well logs) to microscopic (mercury porosimetry, petrographic microscopy, microprobe and isotope data) provide a rich set of data on which we have built our geological and reservoir models.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2019

Material Properties for Brady Hot Springs Nevada USA from PoroTomo Project

The PoroTomo team has completed inverse modeling of the three data sets (seismology, geodesy, and hydrology) individually, as described previously. The estimated values of the material properties are registered on a three-dimensional grid with a spacing of 25 meters between nodes. The material properties are listed an Excel file. Figures show planar slices in three sets: horizontal slices in a planes normal to the vertical Z axis (Z normal), vertical slices in planes perpendicular to the dominant strike of the fault system (X normal), and vertical slices in planes parallel to the dominant strike of the fault system (Y normal). The results agree on the following points. The material is unconsolidated and/or fractured, especially in the shallow layers. The structural trends follow the fault system in strike and dip. The geodetic measurements favor the hypothesis of thermal contraction. Temporal changes in pressure, subsidence rate, and seismic amplitude are associated with changes in pumping rates during the four stages of the deployment in 2016. The modeled hydraulic conductivity is high in fault damage zones. All the observations are consistent with the conceptual model: highly permeable conduits along faults channel fluids from shallow aquifers to the deep geothermal reservoir tapped by the production wells.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Machine Learning to Identify Geologic Factors Associated with Production in Geothermal Fields: A Case-Study Using 3D Geologic Data from Brady Geothermal Field and NMFk

In this paper, we present an analysis using unsupervised machine learning (ML) to identify the key geologic factors that contribute to the geothermal production in Brady geothermal field. Brady is a hydrothermal system in northwestern Nevada that supports both electricity production and direct use of hydrothermal fluids. Transmissive fuid-fow pathways are relatively rare in the subsurface, but are critical components of hydrothermal systems like Brady and many other types of fuid-fow systems in fractured rock. Here, we analyze geologic data with ML methods to unravel the local geologic controls on these pathways. The ML method, non-negative matrix factorization with k-means clustering (NMFk), is applied to a library of 14 3D geologic characteristics hypothesized to control hydrothermal circulation in the Brady geothermal field. Our results indicate that macro-scale faults and a local step-over in the fault system preferentially occur along production wells when compared to injection wells and non-productive wells. We infer that these are the key geologic characteristics that control the through-going hydrothermal transmission pathways at Brady. Our results demonstrate: (1) the specific geologic controls on the Brady hydrothermal system and (2) the efficacy of pairing ML techniques with 3D geologic characterization to enhance the understanding of subsurface processes. This submission includes the published journal article detailing this work, the published 3D geologic map of the Brady Geothermal Area used as a basis to develop structural and geological variables that are hypothesized to control or effect permeability or connectivity, 3D well data, along which geologic data were sampled for PCA analyses, and associated metadata file. This work was done using the GeoThermalCloud framework, which is part of SmartTensors (both are linked below).

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

Natural Fracture Pattern Development Using 3D Coupled Numerical Model: Mechanics and Diagenesis

In the earth's crust, while tectonic processes can mechanically create natural fractures, cementation can simultaneously grow on the surfaces of the fractures. This crystallization can affect the growth of the fractures. To more accurately address the modeling of natural fracture development, both mechanical deformation and chemical diagenesis should be carried out in an integrated manner. Here, we achieve this with a three-dimensional (3D) simulator that couples mechanical and chemical processes for natural fracture pattern development in layer confined situations. Tectonic loading over geologic time is mimicked by displacement driven boundary conditions in a 3D displacement discontinuity method (DDM) scheme. Quartz diagenesis competes with mechanical fracture opening, resulting in three different cementation conditions - open, bridging or fully infilled – which define fracture element stiffness that is used as feedback within the 3D-DDM code during propagation. An important milestone of this work is that this coupled structural diagenetic model can reproduce power-law aperture population statistics which cannot be generated using mechanics alone. More accurately estimated mechanical fracture apertures and their cementation condition is a critical step toward better permeability estimation and fluid path analysis for subsurface reservoirs.

58 GEOSCIENCES↗
DOE OSTI2024

Uncertainty Quantification in CO2 Trapping Mechanisms: A Case Study of PUNQ-S3 Reservoir Model Using Representative Geological Realizations and Unsupervised Machine Learning

Evaluating uncertainty in CO2 injection projections often requires numerous high-resolution geological realizations (GRs) which, although effective, are computationally demanding. This study proposes the use of representative geological realizations (RGRs) as an efficient approach to capture the uncertainty range of the full set while reducing computational costs. A predetermined number of RGRs is selected using an integrated unsupervised machine learning (UML) framework, which includes Euclidean distance measurement, multidimensional scaling (MDS), and a deterministic K-means (DK-means) clustering algorithm. In the context of the intricate 3D aquifer CO2 storage model, PUNQ-S3, these algorithms are utilized. The UML methodology selects five RGRs from a pool of 25 possibilities (20% of the total), taking into account the reservoir quality index (RQI) as a static parameter of the reservoir. To determine the credibility of these RGRs, their simulation results are scrutinized through the application of the Kolmogorov–Smirnov (KS) test, which analyzes the distribution of the output. In this assessment, 40 CO2 injection wells cover the entire reservoir alongside the full set. The end-point simulation results indicate that the CO2 structural, residual, and solubility trapping within the RGRs and full set follow the same distribution. Simulating five RGRs alongside the full set of 25 GRs over 200 years, involving 10 years of CO2 injection, reveals consistently similar trapping distribution patterns, with an average value of Dmax of 0.21 remaining lower than Dcritical (0.66). Using this methodology, computational expenses related to scenario testing and development planning for CO2 storage reservoirs in the presence of geological uncertainties can be substantially reduced.

Mahjour, Seyed Kourosh↗
DOE OSTI2026

A Boundary Element Model for Assessing Large‐Scale Pressurization in Faulted Geological Storage Systems

Assessing large-scale pressurization at the regional scale—a possible outcome of large subsurface storage applications such as wastewater injection and geological carbon sequestration—presents significant computational challenges. These challenges are particularly pronounced when accounting for complex geologic structures with multiple reservoir and caprock layers, fault zones, and wells. This study introduces a computationally efficient model that integrates single-phase semi-analytical solutions with a boundary element (BE) approach. The model simulates pressure propagation in multilayered 3D systems, including vertical faults, caprock, basement, and confining units. We apply this new model to a representative scenario involving CO 2 injection near a partially sealing fault with verification against an independent two-phase flow model. Results demonstrate that our model accurately captures far-field pressure responses and that, outside the CO 2 plume zone, pressure predictions from single-phase and two-phase models are nearly identical. This supports the use of single-phase models like ours for efficient estimation of far-field pressure changes. Additionally, we demonstrate its effectiveness at a large scale, incorporating multiple wells and faults. With its ability to represent multiple wells, fault zones, and geological heterogeneity, our model is well suited for assessments of basin-scale pressurization. Its computational efficiency also makes it a promising tool for integration with optimization frameworks aimed at designing and managing injection strategies in faulted storage systems.

Cihan, A. [Lawrence Berkeley National Laboratory (↗
DOE OSTI2020

Accelerating geostatistical modeling using geostatistics-informed machine Learning

Ordinary Kriging (OK) is a popular geostatistical algorithm for spatial interpolation and estimation. The computational complexity of OK changes quadratically and cubically for memory and speed, respectively, given the number of data. Therefore, it is computationally intensive and also challenging to process a large set of data, especially in three-dimensional (3D) cases. This paper develops a geostatistics-informed machine learning (GIML) model to improve the efficiency of OK by reducing the number of points required to be estimated using OK. Specifically, only a very few of the unknown points are estimated by OK to get the weights and estimations, which are used as the training dataset. Moreover, the governing equations of OK are used to guide our proposed machine learning to better reproduce the spatial distributions. Our results show that the proposed GIML can reduce the computational time of OK by at least one order of magnitude. The effectiveness of the GIML is evaluated and compared using a 2D case. Furthermore, we demonstrate its efficiency and robustness by considering a different number of training samples on various 3D simulation grids.

58 GEOSCIENCES↗
DOE OSTI2020

Prediction of the thermal-hydraulic-mechanical response of a geological repository at large scale and sensitivity analyses

To better understand the Thermal-Hydraulic-Mechanical (THM) response of the rock caused by the high-level radioactive waste (HLW) released heat in the Callovo-Oxfordian formation (COx) in the near-field and far-field areas, a series of coupled THM modelling is performed. This study presents a case study based on the French geological repository for HLW (Cigéo project) to better assess modelling of deep geological repositories (DGR) within the DECOVALEX-2019 framework. In this study, the proposed coupled THM model, implemented in the platform of COMSOL, is validated by comparing the modelled THM results for a point heat source in an infinite rock mass with an analytical solution. It is also validated by comparing its thermal component for the Base Case with accurate results calculated using another numerical method. To shorten the calculation time, the DGR is modelled using six cuboid blocks representing 162 HLW cells and only six central HLW cells of interest modelled in detail. This simplification is validated. This model can easily be used to model not only the near-field THM response of the rock but also the far-field THM response. The influence of the boundary conditions applied on the gallery wall, HLW cell walls, and external surfaces of the model and the influence of different vertical dimensions of the geometry are studied. The sensitivity analyses of the THM parameters of COx on the THM response at different locations are performed. Finally, the influence of using a 2-dimensional (2D) model to represent a 3-dimensional (3D) repository is also investigated.

58 GEOSCIENCES↗