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DOE OSTI2024

Numerically Testing Conceptual Models of the Utah FORGE Reservoir Using July 2023 Circulation Test Data

Over the past several years, many new data sets have become available regarding the characterization of the Utah FORGE reservoir. These include, but are not limited to, the stimulation of Well 16A, the drilling and completion of Well 16B, and interwell circulation confirmatory testing. As part of the characterization efforts, conceptual models of the reservoir are re-examined as new data become available. As part of the planning for FORGE activities, numerical models are often used to predict the reservoir response to the planned testing. Stochastic methods are often employed to bound uncertainty and allow for evaluation of comprehensive ranges of key reservoir parameters. For the most recent interwell circulation confirmatory testing (July 2023), a priori numerical model predictions did bound the observed behavior (Xinj et al., 2023), but key deviations from expected behavior prompted the FORGE team to reevaluate our conceptual model of the reservoir. In early October 2023, key members of the development, testing, and monitoring teams met for 2 days to review newly collected data and discuss ‘interesting’ or ‘key’ observations. From these discussions, 15 Key Observations were documented, with several significant ones being that the discrete fracture network developed from the 16A stimulation data may not be appropriate and that the early time pressure data obtained during the summer 2023 reservoir testing were best described using radial solutions. In July 2023, two campaigns of interwell confirmatory testing were conducted, the first set of tests occurred on July 4-5 and the second set on July 18-19. The second set of circulation tests conducted at the Utah FORGE site between the injection well 16A(78)-32 and production well 16B(78)-32 on July 18 and 19, 2023 are used to calibrate material properties in a thermal-hydraulic-mechanical (THM) simulation of the discrete fracture network connecting the wells. The spatially and temporally varying reservoir properties are calibrated to match the time dependent pressure and production profiles from the circulation tests. In future work, this calibrated model will be coupled to the native state THM model of the FORGE reservoir to predict surface deformation and strains resulting from pumping schedules.

58 GEOSCIENCES↗

DOE OSTI2024

Numerically Testing Conceptual Models of the Utah FORGE Reservoir Using July 2024 Circulation Test Data

15 GEOTHERMAL ENERGY↗

DOE OSTI2021

A coupled thermo-hydro-mechanical model for simulating leakoff-dominated hydraulic fracturing with application to geologic carbon storage

A potential risk of injecting CO2 into storage reservoirs with marginal permeability (≲ 10 mD (1 mD = 10 –15 m 2 )) is that commercial injection rates could induce fracturing of the reservoir and/or the caprock. Such fracturing is essentially fluid-driven fracturing in the leakoff-dominated regime. Recent studies suggested that fracturing, if contained within the lower portion of the caprock complex, could substantially improve the injectivity without compromising the overall seal integrity. Modeling this phenomenon entails complex coupled interactions among the fluids, the fracture, the reservoir, and the caprock. Here, we develop a simple method to capture all these interplays in high fidelity by sequentially coupling a hydraulic fracturing module with a coupled thermal-hydrological-mechanical (THM) model for nonisothermal multiphase flow. The model was made numerically tractable by taking advantage of self-stabilizing features of leakoff-dominated fracturing. The model is validated against the PKN solution in the leakoff-dominated regime. Moreover, we employ the model to study thermo-poromechanical responses of a fluid-driven fracture in a field-scale carbon storage reservoir that is loosely based on the In Salah project's Krechba reservoir. The model reveals complex yet intriguing behaviors of the reservoir-caprock-fluid system with fracturing induced by cold CO 2 injection. We also study the effects of the in situ stress contrast between the reservoir and caprock and thermal contraction on the vertical containment of the fracture. The proposed model proves effective in simulating practical problems on length and time scales relevant to geological carbon storage.

58 GEOSCIENCES↗

DOE OSTI2024

Utah FORGE 3-2417: Fiber-Optic Geophysical Monitoring of Reservoir Evolution - 2024 Annual Workshop Presentation

This is a presentation on the Fiber-Optic Geophysical Monitoring of Reservoir Evolution by Rice University, presented by Jonathan Ajo-Franklin. This video slide presentation discusses the development of an end-to-end fiber-optic sensing approach for EGS to track the (1) initial zone of fracture creation, (2) zones of connected mechanically compliant fractures, (3) zones of flowing fractures, and (4) the integration of the data into an improved THM model. This presentation was featured in the Utah FORGE R&D Annual Workshop on August 13, 2024.

15 GEOTHERMAL ENERGY↗

DOE OSTI2022

Efficient Multi-Scale, Thermo-Hydro-Mechanical Numerical Model for Simulation of Long-Term Stability of Rooms for Nuclear Waste Disposal

This project demonstrated the feasibility of developing a numerical modeling tool that provides an efficient and unique approach to analyze the geomechanical performance of a deep geological repository (DGR) for high-level nuclear waste. The numerical modeling tool is physics-based and models the thermo-hydro-mechanical (THM) processes during the required time (up to one million years) for a DGR. The unique capability of the developed code is explicit representation of fracturing and a discrete fracture network (DFN) in the model that includes the entire repository layout for simulated time of one million years. Therefore, it can potentially address one of the challenges of analysis of a DGR, which is efficient numerical simulation of a multi-scale, physics-based models.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

KOMPASS-II: Compaction of Crushed salt for Safe Containment – Phase 2

Long-term stable sealing elements are a basic component in the safety concept for a possible repository for heat-emitting radioactive waste in rock salt. The sealing elements will be part of the closure concept for drifts and shafts. They will be made from a welldefinied crushed salt in employ a specific manufacturing process. The use of crushed salt as geotechnical barrier as required by the German Site Selection Act from 2017 /STA 17/ represents a paradigm change in the safety function of crushed salt, since this material was formerly only considered as stabilizing backfill for the host rock. The demonstration of the long-term stability and impermeability of crushed salt is crucial for its use as a geotechnical barrier. The KOMPASS-II project, is a follow-up of the KOMPASS-I project and continues the work with focus on improving the understanding of the thermal-hydraulic-mechanical (THM) coupled processes in crushed salt compaction with the objective to enhance the scientific competence for using crushed salt for the long-term isolation of high-level nuclear waste within rock salt repositories. The project strives for an adequate characterization of the compaction process and the essential influencing parameters, as well as a robust and reliable long-term prognosis using validated constitutive models. For this purpose, experimental studies on long-term compaction tests are combined with microstructural investigations and numerical modeling. The long-term compaction tests in this project focused on the effect of mean stress, deviatoric stress and temperature on the compaction behavior of crushed salt. A laboratory benchmark was performed identifying a variability in compaction behavior. Microstructural investigations were executed with the objective to characterize the influence of pre-compaction procedure, humidity content and grain size/grain size distribution on the overall compaction process of crushed salt with respect to the deformation mechanisms. The created database was used for benchmark calculations aiming for improvement and optimization of a large number of constitutive models available for crushed salt. The models were calibrated, and the improvement process was made visible applying the virtual demonstrator.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

Implementation and verification of a user-defined element (UEL) for coupled thermal-hydraulic-mechanical-chemical (THMC) processes in saturated geological media

Efficient and accurate modeling of the coupled thermal-hydraulic-mechanical-chemical (THMC) processes in various rock formations is indispensable for designing energy geo-structures such as underground repositories for high-level nuclear wastes. Here, this work focuses on developing and verifying an implicit finite element solver for generic coupled THMC problems in geological settings. Starting from the mass, momentum, and energy balance laws, a specialized set of governing equations and a thermoporoelastic constitutive model is derived. This system is then solved by an implicit finite element (FE) scheme. Specifically, the residuals and the Jacobians are scripted in a user-defined element (UEL) subroutine which is then combined with the general-purpose FE software Abaqus Standard to solve initial-boundary value problems. Considering the complexity of the system, the UEL development follows a stepwise manner by first solving the coupled hydraulic-mechanical (HM) and thermal-hydraulic-mechanical (THM) equations before moving on to the full THMC problem. Each implementation step consists of at least one verification test by comparing computed results with closed-form analytical solutions to ensure that the various coupling effects are correctly realized. To demonstrate the robustness of the algorithm and to validate the UEL, a three-dimensional case study is performed with reference to the in-situ heating test of ATLAS at Belgium in 1980s. A hypothetical radionuclide leakage event is then simulated by activating the chemical-concentration degree of freedom and prescribing a constant high concentration at the heater's surface. The model predicts a limited contaminated regime after six years considering both diffusion and advection effects on species transport.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Reactive transport modeling of the Aquifer Thermal Energy Storage (ATES) system at Stockton University, New Jersey during seasonal operations

Hydrogeochemical processes associated with Aquifer Thermal Energy Storage (ATES) operations can often impact the system performance owing to mineral precipitation either at the wellbore or in the aquifer owing to changes in temperature and fluid disequilibria. Although failure of ATES systems due to mineral precipitation ("fouling") is common, predictive reactive-transport models have rarely been applied to plan their design and operation. Here, the objective of this study is to develop a reactive-transport model by coupling thermal, hydrological, and chemical (THC) processes to evaluate effects of introduced atmospheric oxygen on water chemistry, mineral precipitation/dissolution, porosity, and permeability changes associated with an ATES system at Stockton University (New Jersey, USA). The THC model builds on a Thermal-Hydrological-Mechanical (THM) model of the site that evaluated system failure owing to possible fracturing in the caprock or around the wellbore. The causes of the system failure are not known – potential causes include hydraulic fracturing owing to elevated pump pressures that took place, a flow pathway created by one of the boreholes, or a pre-existing natural hydrologic connection between the upper unconfined aquifer and the ATES aquifer, any of which could have led to oxygenated water entering the reservoir and causing the observed Fe-oxide fouling on well screens. The THC model is used to evaluate some of the hypotheses and observations regarding system failure owing to geochemical processes. The reactive-transport code TOUGHREACT V4 was used to model the THC processes during seasonal heating and cooling operations at the Stockton ATES site over 6 years of operation. In the THC simulations, the primary effects on geochemistry were observed when the injection water is saturated with atmospheric oxygen. Simulations show greater precipitation of goethite near the cold wells as compared to the warm wells. Although volume fractions of Fe-hydroxides were relatively small, the model was aimed at processes in the aquifer at the scale of meters and larger rather than at the scale of mm or cm (i.e., a well screen). Kaolinite is the dominant precipitating phase, also around the cold wells. Illite dissolves near the cold wells and precipitates near the warm wells. There is a net decrease in the porosity near the cold wells and increase near the warm wells, although a slight amount of thermal contraction near the cold wells and expansion near the warm wells is responsible for a significant proportion of the porosity change. Owing to the coarse discretization of the numerical grid near the wells (compared to the screen thickness) the magnitude of permeability changes at the wellbore are likely underestimated. The reactive transport model in this study can be used for characterization of aquifers, optimizing the operational parameters (temperature, pressure, pH etc.), and planning of mitigation strategies for ATES systems.

15 GEOTHERMAL ENERGY↗

DOE OSTI2024

Synthesis of results for Brine Availability Test in Salt (BATS) DECOVALEX-2023 Task E

In the 2023 phase of the international collaborative DECOVALEX modeling project, Task E focused on understanding thermal, hydrological, and mechanical (THM) processes related to predicting brine migration in the excavation damaged zone around a heated excavation in salt. Salt is attractive as a disposal medium for radioactive waste because it is self-healing and is essentially impermeable and non-porous in the far field. Investigation of the short-term, near-field behavior is important for radioactive waste disposal because this early period strongly controls the amount of inflowing brine. Brine leads to corrosion of waste forms and waste packages, and possible dissolution of radionuclides with brine transport being a potential transport vector to the accessible environment.The Task was divided into steps. Step 0 included matching unheated brine inflow data from boreholes at the Waste Isolation Pilot Plant (WIPP) and matching temperature observations during a Brine Availability Test in Salt (BATS) heater test. Step 1 included validation of models against a thermo-poroelastic analytical solution, and two-phase flow around an excavation. Finally, Step 2 required all the individual components covered in steps 0 and 1 to come together to match observed brine inflow behavior during the same BATS heater test.There were a range of approaches from the teams, from mechanistic to prescriptive. Given the uncertainties in the problem, some teams used one- or two-dimensional models of the processes, while other teams included more geometrical complexity in three-dimensional models. Task E was a learning experience for the teams involved, and feedback from the modeling teams has led to changes in follow-on BATS experiments at WIPP. The primary Task E lessons learned were the impact of hydrologic initialization methods (wetting up vs. drying down), the difference between confined and unconfined thermal expansion, and the large changes in permeability associated with heating and cooling.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

The effects of ACRT on melt undercooling during the growth of CZT via the traveling heater method: Ekman versus Taylor-Görtler flows

For the first time, a comprehensive model for the traveling heater method, including detailed species transport and phase-change thermodynamics, is applied to understand the effects of accelerated crucible rotation (ACRT) on the growth of cadmium zinc telluride. Here, a rotation schedule that is designed from classical considerations does not completely mix the melt, rather undercooled regions of localized melt are swept periodically across the growth interface. Even without melt homogenization, these ACRT-driven flows disrupt the persistent undercooling that occurs during THM growth without rotation. An ACRT schedule designed to promote Ekman flows results in lower levels of melt undercooling than a schedule designed to promote Taylor-Görtler flows and greater mixing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Stability-based optimization of ACRT for the growth of CZT by the traveling heater method

Numerical modeling is employed to study the effects of several accelerated crucible rotation technique (ACRT) rotation schedules on the growth of cadmium zinc telluride (CZT) by the traveling heater method (THM). In conjunction with these analyses, a measure is developed to estimate the amplitude of disturbances associated with cellular interface growth morphologies that develop over time and across the melt-solid interface. Furthermore, this disturbance amplitude measure is used to assess the ability of ACRT to stabilize the growth interface and thereby minimize inclusion formation processes. Notably, our analyses reveal that interfacial instability is not well correlated with melt undercooling, explaining why classical ACRT approaches to reduce undercooling by mixing may not stabilize growth. Computations show that interface stability is best achieved via rotation schedules that accentuate outward Ekman flows during spin-up and, during spin-down, eliminate Taylor-Görtler flows and minimize inward Ekman flows.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Effects of anisotropic shale creep on the stress and permeability evolution of a geological nuclear waste repository

To ensure long-term safety and performance, geological nuclear waste repositories require low-permeability barriers such as bentonite buffers and/or shale host rock. Shale is not only known for its low permeability but also for its trend to undergo time-dependent deformation (i.e., creep), which could heal damage, but the effects of shale creep on the long-term performance of nuclear waste repositories have not been clearly understood. In particular, the anisotropic nature of shale (i.e., bedding) could have a significant effect on its creep behavior, and consequently, on the long-term performance of nuclear waste repositories. In this research, numerical simulations were carried out with the objective of showing the effects of anisotropic shale creep on the stress and permeability evolution of a generic geological nuclear waste repository in shale. The TOUGH-FLAC simulator, a thermo-hydromechanically (THM) coupled numerical code, was used for the simulations. To achieve the objective, comparisons were performed between the results of anisotropic shale creep simulations and those of different simulation cases, namely, no creep (i.e., elastic), isotropic creep, and long-term creep shale cases. Results of the comparisons show that the elastic and isotropic creep shale cases respectively led to the overestimation and underestimation of stress and permeability in the repository, whereas the long-term creep shale case, which accumulated greater creep in later periods than in earlier periods, helped to keep large shear and tensile stresses from developing while maintaining compressive spherical stress, resulting in consistently low permeability levels. These results indicate that performance assessments with elastic and isotropic creep formation models will provide the upper and lower bound estimates of stress and permeability, while more reasonable estimates will be given by an anisotropic creep formation model, and that shale with long-term creep characteristics will be beneficial in many aspects of the safety and performance of nuclear waste repositories.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Enhancement of disposal efficiency for deep geological repositories based on three design factors - Decay heat optimization, increased thermal limit of the buffer and double-layer concept

This study investigates the enhancement of disposal efficiency for deep geological repositories (DGRs) based on three design factors: decay heat optimization, increased thermal limit of the buffer, and double-layer concept using coupled thermo-hydro-mechanical (THM) numerical simulations. Decay heat optimization is achieved by iteratively emplacing spent nuclear fuels having the maximum and minimum decay heat in a canister. Disposal areas can be reduced by 20 % to 40 % compared to the current reference disposal system in Korea (KRS+) in accordance with the combinations of the three design factors, alleviating challenges in site selection for the DGR. This study additionally identifies an optimal layer spacing of 500 m for the double-layer concept in the viewpoint of the buffer temperature, where thermal interaction between the upper and lower layers nearly disappears. However, determining the ultimate disposal and layer spacing requires engineering judgement, considering not only the thermal performance of the DGR but also various factors such as cost and difficulties of the construction and rock mass stability. DGRs designed with an increased thermal limit of the buffer poses a greater probability of rock mass failure around disposal tunnels and deposition holes due to elevated thermal stresses. Densely arranged heat sources for the DGRs with enhanced disposal efficiency lead to larger temperature increase even at the far-field scale, raising a possibility of thermally driven fracture shear activation with associated hydraulic, mechanical, and seismic changes.

58 GEOSCIENCES↗

DOE OSTI2021

Impact of selenium addition to the cadmium-zinc-telluride matrix for producing high energy resolution X-and gamma-ray detectors

Abstract Both material quality and detector performance have been steadily improving over the past few years for the leading room temperature radiation detector material cadmium-zinc-telluride (CdZnTe). However, although tremendous progress being made, CdZnTe still suffers from high concentrations of performance-limiting defects, such as Te inclusions, networks of sub-grain boundaries and compositional inhomogeneity due to the higher segregation coefficient of Zn. Adding as low as 2% (atomic) Se into CdZnTe matrix was found to successfully mitigate many performance-limiting defects and provide improved compositional homogeneity. Here we report record-high performance of Virtual Frisch Grid (VFG) detector fabricated from as-grown Cd 0.9 Zn 0.1 Te 0.98 Se 0.02 ingot grown by the Traveling Heater Method (THM). Benefiting from superior material quality, we achieved superb energy resolution of 0.77% at 662 keV (as-measured without charge-loss correction algorithms) registered at room temperature. The absence of residual thermal stress in the detector was revealed from white beam X-ray topographic images, which was also confirmed by Infra-Red (IR) transmission imaging under cross polarizers. Furthermore, neither sub-grain boundaries nor their networks were observed from the X-ray topographic image. However, large concentrations of extrinsic impurities were revealed in as-grown materials, suggesting a high likelihood for further reduction in the energy resolution after improved purification of the starting material.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Assessment of deep levels with selenium concentration in Cd 1–x Zn x Te 1–y Se y room temperature detector materials

Incorporation of Se into Cd 1–x Zn x Te (CZT) to form the quaternary compound semiconductor Cd 1–x Zn x Te 1–y Se y (CZTS) has proven to be an effective solution for compensating the major flaws associated with CZT, including poor homogeneity and high concentrations of electronically active deep levels that limit the performance of CZT detectors. In order to investigate how deep levels are affected by the Se concentration in CZTS, we performed photoinduced current transient spectroscopy (PICTS) measurements on CZTS crystals grown by the traveling heater method (THM) with 10% atomic Zn and varying atomic percentage of Se from 1.5% to 7.0%. The PICTS scans for up to 4% Se showed an exponential reduction in the capture cross section of deep levels associated with Te secondary phases in conjunction with an increase in a deep level positioned near the mid-gap, which initially increases the electron trapping time before degrading again at higher Se concentrations. The PICTS peaks present in 7% Se were anomalous relative to the other crystals and are expected to originate from transition metal impurities found in the lower-purity CdSe precursor material.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Fracture Sustainability in Enhanced Geothermal Systems: Experimental and Modeling Constraints

Enhanced geothermal systems (EGS) offer the potential for a much larger energy source than conventional hydrothermal systems. Hot, low-permeability rocks are prevalent at depth around the world, but the challenge of extracting thermal energy depends on the ability to create and sustain open fracture networks. Laboratory experiments were conducted using a suite of selected rock cores (granite, metasediment, rhyolite ash-flow tuff, and silicified rhyolitic tuff) at relevant pressures (uniaxial loading up to 20.7 MPa and fluid pressures up to 10.3 MPa) and temperatures (150–250 °C) to evaluate the potential impacts of circulating fluids through fractured rock by monitoring changes in fracture aperture, mineralogy, permeability, and fluid chemistry. Because a fluid in disequilibrium with the rocks (deionized water) was used for these experiments, there was net dissolution of the rock sample: this increased with increasing temperature and experiment duration. Thermal-hydrological-mechanical-chemical (THMC) modeling simulations were performed for the rhyolite ash-flow tuff experiment to test the ability to predict the observed changes. These simulations were performed in two steps: a thermal-hydrological-mechanical (THM) simulation to evaluate the effects of compression of the fracture, and a thermal-hydrological-chemical (THC) simulation to evaluate the effects of hydrothermal reactions on the fracture mineralogy, porosity, and permeability. Furthermore, these experiments and simulations point out how differences in rock mineralogy, fluid chemistry, and geomechanical properties influence how long asperity-propped fracture apertures may be sustained. Such core-scale experiments and simulations can be used to predict EGS reservoir behavior on the field scale.

15 GEOTHERMAL ENERGY↗

DOE OSTI2021

The $^3$He+$^5$He$\rightarrow $ $\alpha $+$\alpha $ reaction below the Coulomb barrier via the Trojan Horse Method

For the first time in an application to nuclear astrophysics, a process induced by the unstable 5 He = ( 4 He-n) nucleus, the 3 He+ 5 He→2α reaction, has been studied through the Trojan Horse Method (THM). For that purpose, the quasi-free (QF) contribution of the 9 Be( 3 He,αα) 4 He reaction was selected at E 3 He =4 MeV incident energy. The reaction was studied in a kinematically complete experiment following a recent publication, where for the quasi free contribution the momentum distribution between α and 5 He particle cluster in the 9 Be nucleus in the ground state have been extracted. The angular distribution of the QF 3 He+ 5 He→2α reaction was measured at θ cm = 78°–115°. The energy dependence of the differential cross section of the 3 He+ 5 He→2α virtual reaction was extracted in the energy range E cm = 0–650 keV. In conclusion, the total cross section obtained from the Trojan-horse method was normalized to absolute cross sections from a theoretical calculation in the energy range E cm =300–620 keV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Coupled Monte Carlo and thermal-hydraulics modeling of a prismatic gas reactor fuel assembly using Cardinal

Cardinal is a MOOSE application that couples OpenMC Monte Carlo transport and NekRS computational fluid dynamics to the MOOSE framework, closing the neutronics and thermal-fluid gaps in conducting tightly-coupled, high-resolution multiscale and multiphysics analyses. By leveraging MOOSE's interfaces for wrapping external codes, Cardinal overcomes many challenges encountered in earlier multiphysics coupling works, such as file-based I/O or overly-restrictive geometry mapping requirements. In this work, we leverage a subset of the multiphysics interfaces in Cardinal to perform coupling of OpenMC neutron transport, MOOSE heat conduction, and THM thermal-fluids for steady-state modeling of a prismatic gas reactor fuel assembly.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗