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Lee, Changsoo

Publications and source records attributed to Lee, Changsoo.

11 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

DECOVALEX-2023: Task C Final Report

The Full-scale Emplacement (FE) heater experiment at the Mont Terri Underground Rock Laboratory (URL) was designed and conducted by Nagra to replicate an emplacement tunnel of Nagra’s reference repository design at 1:1 scale. Alongside testing the technical feasibility of constructing disposal tunnels, emplacing waste containers in the tunnels and then backfilling them, the main goals of the FE experiment are (1) to obtain a better understanding of the coupled effects of induced thermo-hydro-mechanical (THM) processes that may occur and (2) to validate existing coupled THM models (Müller et al., 2017). A key aspect of ensuring safety for repositories located in low-permeability rock involves minimizing any damage to the rock itself, thereby preserving its integrity and promoting a stable environment Amongst a number of processes that could damage the rock is the increase in pore pressure due to thermal loading caused by heat emitted from the waste. To reduce the potential damage of the rock, it is important to analyse the evolution of heat over time due to the heat load of the containers and assess possible consequences by coupled THM models. The aim of Task C of DECOVALEX-2023 was to build 3D numerical models of the FE experiment, focussing in particular on the heating induced pore pressure change in the Opalinus Clay. Data from a large number of sensors were available from the FE experiment for model comparison. These sensors measured temperature and relative humidity in the bentonite around the heaters, and temperature, pressure and displacement/strain in the surrounding Opalinus clay. Data were available from the start of excavation (April 2012) up to August 2020 for most sensors (more than 5 years from the start of heating in December 2014). To fulfil the overall aim of the task, the work was broken down into a number of steps, starting with simpler models to build confidence in each team’s approach and then moving to more complex models that better represent the FE experiment. Step 0 consisted of 2D benchmark models, gradually increasing the number of processes that are represented from thermal (T) only models in Step 0a, to coupled thermal hydraulic (TH) models in Step 0b with a representation of changing porosity, to coupled thermo-hydro-mechanical (THM) models in Step 0c, where porosity changes are calculated by the mechanical model. A detailed specification of processes, parameters, initial and boundary conditions was provided for this step, with the ambition that all teams would work towards close agreement in their model results, thus building confidence in the model implementations. vi It was not straightforward to achieve agreement between the teams, so additional steps (Step 0b2, 0b3, 0c2, 0c3) were added along with derivation of some analytical solutions against which the models could be compared. The reasons for the differences between teams were investigated and found to be caused primarily by different conceptual model assumptions (including temperature dependence of the thermal expansion of water), different model formulations (including porosity evolution) and differences in modelled domain sizes, boundary conditions and grid discretisation. This demonstrates that comparisons between multiple modelling teams and/or comparison with analytical results and experimental data are highly beneficial in providing an indication of uncertainty in model predictions. At the conclusion of Step 0, almost all teams had achieved a close agreement in model results and those that had not achieved an agreement knew the reason for this. Step 1 moved from 2D models to 3D models of the FE experiment without adding technical features like shotcrete or EDZ, and only considering the heating phase. Initially the 3D model was tightly specified to continue to build confidence in the model implementations (Step 1a). The results of Step 1a were compared to the data from the FE-experiment without the teams seeing the data. The teams were then provided with a sub-set of the data from the FE-experiment and invited to consider how best to use the large dataset for model comparison (Step 1b). Teams were then asked to use the data provided to calibrate their models, only changing material property values rather than adding features or processes to their models (Step 1c). In Step 1, teams were asked to only model the heating phase of the experiment, so pressure in the Opalinus Clay was reported as change in pressure since the initial conditions were specified rather than modelled. The change from 2D to 3D models was accompanied by an increase in the dispersion of results between the teams. Some of this was resolved during the task, but some remained and is potentially due to model discretisation. Calibration of parameters was useful in improving the fit of the models to the data but the remaining differences indicated that the models were missing features or processes. In Step 2, the teams were asked to update their models with additional features and processes as well as calibrating parameters to try and improve the fit of the models to the data. Teams were encouraged to represent ventilation of the open FE tunnel prior to backfilling with heaters and bentonite and in Step 2, the absolute pressure in the Opalinus Clay was compared between the teams. Teams took different approaches, but there was consideration of adding shotcrete and an EDZ into the model, representing stress change during excavation and different approaches to modelling ventilation of the FE tunnel. Overall, the documented results showed a very good agreement for temperature. The results for porewater pressure evolution showed a significant improvement for most teams compared to Step 1c with a good agreement to the measurements for several teams whereas some teams overpredicted the pressure increase and others overpredicted the drainage effect especially for the sensors close to the heater. Step 3 was an opportunity for teams to use the models developed in Step 1 and Step 2 to make predictions about the temperature and pressure changes that will be expected at the FE experiment over the next few years in light of the planned changes in thermal output of the heaters.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

DECOVALEX-2023: Task D Final Report

Task D of DECOVALEX-2023 is focused on the simulation of the coupled thermal hydraulic-mechanical (THM) behaviour in the full-scale engineered barrier system (EBS). The Horonobe EBS experiment is the demonstration of the full-scale EBS in the underground research laboratory (URL) (performed by JAEA in the Horonobe URL in Japan). Task D consisted of the three steps, a preliminary step (Step 0), simulation of the laboratory tests (Step 1) and simulation of the in-situ full-scale EBS experiment (Step 2). Since the Horonobe EBS experiment demonstrates the vertical emplacement option of the EBS, the experiment gallery is also backfilled with the backfill material. Therefore, interaction between the EBS and the backfill material can also be demonstrated, such as deformation (change of density) of the buffer material. The underground water in the Horonobe URL is saline. This fact adds chemical processes to THM behaviour. For example, mechanical properties (such as swelling pressure of the buffer material and backfill material) and hydraulic properties (such as permeability of the buffer material and backfill material) change depending on the water chemistry. Task D was therefore a challenging Task focused on not only the relatively simple THM behaviour but also complex THM behaviour including chemical processes. Six research teams (BGR, CAS, JAEA, KAERI, SNL and Taipower) participated the Task D. BGR, CAS, JAEA, KAERI and Taipower research teams selected a THM approach, while the SNL research team selected a TH approach. Step 1 involved the simulation of laboratory test results and was important to check the numerical codes developed by the research teams. Step 1 was divided into four sub steps. The simulation results through the Step 1 identified the parameters for simulation of the Step 2. Basic parameters of the materials (buffer material, backfill material, rock mass, concrete, sand) were provided by JAEA. Special parameters which research team needed were identified by back analysis of Step 1. Most notably the mechanical behaviour of swelling and displacement depended on the applied model (elastic model or elastoplastic model). Parameters such as Young’s modulus were found to need smaller values than characterised in the fundamental laboratory test results (Step 1-1, 1-2) for the elastic model. Although laboratory experiments are usually simple, test results contained some error. For example, if the saturation level is 100 % or higher, it should be considered an error. This situation was presented in the Step 1-3. A possible reason is that the buffer material is a mixture of bentonite and silica sand. When a specimen is cut to measure volume or weight, sand grains will affect the measurement data. In Step 2, boundary conditions such as temperature on the surface of the simulated overpack, heater power of the electrical heaters installed in the simulated overpack, injection pressure and inflow rate of the test water, were applied. The outer boundary conditions can be selected using measured data (injection pressure and inflow rate of the test water that is controlled by the injection systems installed in the sand layer around the buffer material and in the boundary between backfill material and concrete support). Since such measured data has some noise, research teams developed their own simplified boundary conditions. Inner boundary conditions can be selected using measured data as heater power and temperature on the surface of the simulated overpack. These data also contain some noise, so research teams developed their own simplified developed boundary conditions. Task D validated various approaches thorough the simulation of the in-situ full scale EBS system including backfill of the gallery: variations in the coupling processes (THM or THC), analysis codes, and boundary conditions. Temperature distribution in the buffer material was simulated well by all research teams. This means thermal behaviour is not sensitive to the simulation approaches. Although the water content distribution on the outside of the buffer material was well simulated by all research teams, the simulation results differ from the measured values inside the buffer material (at the centre and inside, near the simulated overpack). The buffer material is made from tap water, but in the in-situ experiment, saline groundwater infiltrates the buffer material. Therefore, the selection of the hydraulic parameters of the buffer material greatly affects the simulation results of the re saturation behaviour of the buffer material. In the Horonobe EBS experiment, measured values suitable for validating the simulation results were not obtained near the simulated overpack. When simulating the pressure and deformation of the buffer material, the measurement data is easily affected by the installation conditions of the measurement sensors, so verifying the measurement data itself remains an issue. Mechanical simulation results differ depending on whether they are considered as elastic or elastoplastic phenomena. The accuracy of measured in-situ data can be assessed by detailed analysis comparing sampling specimen analysis and measured data. The Horonobe EBS experiment is scheduled to be dismantled in the future (FY2026 and 2027). This detailed dismantling investigation will finally confirm the measured data.

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 OSTI2023

Comparative verification of hydro-mechanical fracture behavior: Task G of international research project DECOVALEX–2023

Numerical simulations become a necessity when experimental approaches cannot cover the required physical and time scale of interest. One of such area is a simulation of long-term host rock behaviors for nuclear waste disposal and simulation tools involved in the assessment must go through rigorous validation tests. The DECOVALEX project (Development of COupled models and their VAlidation against EXperiments) is dedicated to this purpose by international participants. This work is part of the ongoing phase DECOVALEX–2023 (D–2023, Task G) particularly aiming to simulate fracture behaviors under various conditions. Here, in this study, we cross-verified a variety of numerical methods including continuous and discontinuous approaches against four benchmark exercises with emphasis on numerical accuracy and parameterization of the various numerical approaches. The systematic inter-comparisons of test cases highlight advantages and disadvantages of the different numerical models. Numerical details on discretization effects (e.g. mesh density and orientation) and domain size were investigated in detail for practical applications. It became evident that meticulous attention to mesh resolution and domain size is imperative for achieving accurate numerical simulations, even for static cracks. Moreover, when comparing numerical methods to closed-form solutions for static cracks, all models successfully reproduced the maximum crack opening but encountered challenges near the crack tips. Finally, the paper discusses how to convert between and therefore compare parameters of various numerical approaches. Our benchmark studies reveal that each model necessitates a distinct number of parameters, even in simple scenarios like static crack aperture benchmarks. It is generally more practical to employ fewer parameters to mitigate model over-parameterization and enhance experimental feasibility.

58 GEOSCIENCES↗
DOE OSTI2022

Iterative redox activation promotes interfacial synergy in an Ag/Cu x O catalyst for oxygen reduction

In this study, an iterative electrochemical activation process is demonstrated to maximize the interface between Ag and Cu x O. Morphological reconstruction and phase transformation of Cu x O occurs through the iterative electrochemical redox reaction, as indicated by energy-dispersive spectroscopy and X-ray photoelectron spectroscopy. The activated Ag/Cu x O/C catalysts exhibits enhanced oxygen reduction reaction performance, with an onset potential of 0.86 V vs. the reversible hydrogen electrode, a Tafel slope of 46mV dec -1 , and a high stability as compared to Ag/C. A mechanistic study using density functional theory shows that the weakened binding energy of the OH intermediate, originating from the charge transfer from Ag to Cu x O, improves the ORR activity at the interface sites of the Ag/Cu x O electrocatalysts. Ag/Cu x O shows a higher limiting potential of 0.14V for interface sites than isolated Ag nanoparticles. The interfacial charge transfer between Ag and CuO is verified experimentally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

DECOVALEX-2019 (Task D: INBEB Final Report)

The DECOVALEX Project is an on-going international research collaboration, established in 1992, to advance the understanding and modeling of coupled Thermal (T), Hydrological (H), Mechanical (M) and Chemical (C) processes in geological in geological systems. This document is the final report of Task D which was proposed by the DECOVALEX Project and coordinated by CIMNE_UPC, presenting the technical definitions of the problems studied, approaches applied, achievements made and outstanding issues for future research. Task D of the DECOVALEX 2019 project is devoted to the study of the hydro-mechanical (HM) and thermo-hydro-mechanical (THM) Interactions in Bentonite Engineered Barriers (INBEB). Special attention is paid to the evolution of barrier heterogeneity under transient conditions. A proper understanding of the processes occurring during the transient period requires the appropriate simulation of the behavior of the engineered barrier by means of coupled numerical analyses. In this context, the main objective of the Task is to assess the capabilities of numerical formulations and codes to simulate and interpret the HM and THM behavior of the bentonite barrier, with a particular focus on the final state reached on saturation.

58 GEOSCIENCES↗
DOE OSTI2020

Modeling of fluid injection-induced fault reactivation using coupled fluid flow and mechanical interface model

The present study is aimed at developing a numerical model to reproduce coupled hydro-mechanical processes associated with fault reactivation by fluid injection in low permeability rock, as part of the DECOVALEX-2019 project Task B. We proposed a modeling approach for simulating the processes using the TOUGH-FLAC simulator, and modeled a fault reactivation experiment conducted at Mont Terri Rock Laboratory in Switzerland. The first step of the study involved benchmark calculations considering a simplified fault plane and geometry. Fluid flow along a fault was modeled using elements of aperture-sized thickness on the basis of Darcy's law and the cubic law in TOUGH2, whereas the mechanical behavior of a single fault was represented by zero-thickness interface elements in FLAC3D upon which a slip and/or separation is allowed. A methodology to connect a TOUGH2 volume element to a FLAC3D interface element was developed for handling the hydro-mechanical interactions on the fault during fluid injection. Two different fault models for describing the evolutions of hydraulic aperture by elastic fracture opening and failure-induced aperture increase were considered in the benchmark calculations. In the coupling process, the changes in geometrical features and hydrological properties induced by mechanical deformation were continuously updated. The transient responses of the fault and host rock to stepwise pressurization were examined during the simulation. The hydro-mechanical behavior, including the injection flow rate, pressure distribution around the borehole, stress conditions, and displacements in normal and shear directions were monitored in the surrounding rock and along the fault. The results of benchmark calculations suggest that the developed model reasonably represents the hydro-mechanical behavior of a fault and the surrounding rock. This modeling approach was applied to the fault reactivation experiment of the Mont Terri Rock Laboratory. In this interpretive modeling, a parametric study was conducted to examine the effects of input parameters regarding in situ stress and fault properties on the hydro-mechanical responses of the fault to water injection. Then, an optimal parameter set to reproduce the field experiment results was chosen by trial-and-error. The injection flow rate and pressure response during fault reactivation closely matched those obtained at the site, which indicates the capability of the model to appropriately capture the progressive pathway evolution during fault reactivation tests at the site. Finally, the anchor displacements were overestimated by the model, but a fair agreement was obtained in terms of the order of magnitude and the variation tendency.

58 GEOSCIENCES↗