SEARCH · Engineering Papers

Results for “geologic repository”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 181 records · Page 10

All sources NASA NTRS DOE OSTI

DOE OSTI2025

Development of an ERT‐Based Framework for Bentonite Buffers Monitoring From Laboratory Tests: 2. Quantitative Moisture Dynamics Estimation Model

Abstract The long‐term containment of high‐level radioactive waste in geological disposal repositories relies on Engineered Barrier Systems (EBS), with bentonite clay emerging as a candidate material due to its unique properties. Understanding moisture dynamics within bentonite buffers is crucial for EBS performance, as it directly influences the material's swelling capacity, thermal and hydraulic conductivity, mechanical properties, and long‐term evolution under complex thermal‐hydrological‐mechanical (THM) processes. This study develops an advanced Electrical Resistivity Tomography (ERT)‐based framework to quantitatively monitor moisture dynamics under THM conditions. Our framework extends the Waxman‐Smits model to incorporate the coupled effects of temperature, water content, fluid chemistry, and mechanical changes on bentonite's electrical properties. Utilizing HotBENT‐Lab data from our companion paper, which includes electrical conductivity, CT density, and thermocouple measurements, this study offers a novel methodological framework bridging different scales of the model. Our results show that the extended model can estimate water content from ERT data, capturing spatial and temporal variations in moisture distribution within bentonite columns. However, the model tends to overestimate water content compared to CT density‐derived measurements. We address this discrepancy by incorporating a simplified swelling effect model, which improves agreement between ERT and CT density‐based water content estimates. We also discuss model limitations, including simplified treatment of swelling and micropore effects, and propose a conceptual framework for transitioning from laboratory to field applications, addressing challenges such as parameter scalability, field validation methods, and integration of diverse data sources. This ERT‐based framework can potentially advance real‐world moisture monitoring of bentonite‐based EBS in nuclear waste repositories. Plain Language Summary Safely containing high‐level radioactive waste depends on barriers made from materials like bentonite clay, which is effective because it swells and seals in the waste. To ensure these barriers work well over time, it's important to understand how moisture moves through the clay. Our study developed a new method using ERT to monitor moisture levels in bentonite under conditions that mimic those in actual storage sites, including changes in temperature, water content, and mechanical stress. This study improved an existing model to better account for how these factors affect the clay, allowing us to create more accurate moisture maps. Initially, the proposed model overestimated the amount of water in the clay, but its accuracy was improved by factoring in how the clay swells when wet. This study also identified some limitations of the model and suggested ways to adapt it for use in real‐world waste storage sites. This new approach could lead to better monitoring and safety checks for nuclear waste storage systems, helping to ensure long‐term containment. Key Points This work develops an ERT‐based framework extending the Waxman‐Smits model to monitor bentonite moisture dynamics during coupled THM processes The extended model accurately estimates water content from Electrical Resistivity Tomography data, incorporating swelling effects to improve precision This work proposes a conceptual framework for transitioning from laboratory to field applications, advancing EBS monitoring in nuclear waste repositories

Chen, Hang↗

DOE OSTI1994

Nuclear Safety [Vol. 35, No. 1, January-June 1994]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: THE CHERNOBYL ACCIDENT: 1 Chernobyl Accident Management Actions, A. R Sich 25 The IAEA-ASSET Approach to Avoiding Accidents is to Recognize the Precursors to Prevent Incidents, F. Reisch; ACCIDENT ANALYSIS: 36 A Review of the Available Information on the Triggering Stage of a Steam Explosion, D. F. Fletcher; 58 Analysis and Modeling of Flow-Blockage-Induced Steam Explosion Events in the High-Flux Isotope Reactor, R. P. Taleyarkhan, V. Georgevich, C. W. Nestor, U. Gat, B. L. Lepard, D. H. Cook, J. Freels, S. J. Chang, C. Luttrell, R. C. Gwaltney, and J. Kirkpatrick; 74 An Analysis of Disassembling the Radial Reflector of a Thermionic Space Nuclear Reactor Power System, M. S. El-Genk and D. V. Paramonov; CONTROL AND INSTRUMENTATION: 86 Standards for High-Integrity Software, D. R. Wallace, D. R. Kuhn, L M. Ippolito, and L. Beltracchi; DESIGN FEATURES: 98 Adoption of New Design Features for the Next Generation Nuclear Power Reactors, L. S. Tong; 114 Review of Nuclear Piping Seismic Design Requirements, G. C. Slagis and S. E. Moore; ENVIRONMENTAL EFFECTS: 128 PC-Based Probabilistic Safety Assessment Study for a Geological Waste Repository Placed in a Bedded Salt Formation, S. A. Khan; OPERATING EXPERIENCES: 142 Managing Aging in Nuclear Power Plants: Insights from NRC’s Maintenance Team Inspection Reports, A. Fresco and M. Subudhi; 150 Reactor Shutdown Experience, Compiled by J. W. Cletcher; 153 Selected Safety-Related Events, Compiled by G. A. Murphy; RECENT DEVELOPMENTS: 158 Reports, Standards, and Safety Guides, D. S. Queener; 168 Proposed Rule Changes as of Dec. 31, 1993; ANNOUNCEMENTS: 177 Symposium on Radioactive and Mixed Waste—Risk as a Basis for Waste Classification; 177 1995 Incineration Conference 178 Ninth Power Plant Dynamics Control and Testing Symposium; 174 The Authors

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2026

Non-Neutron Transmutation of Used Nuclear Fuel (Final Report)

The primary goal of this study is to develop a national facility concept for transmuting long-lived fission products (LLFP) to substantially reduce the disposal impact by minimizing the need for a geologic-timescale repository. As a charter for this study, the national transmutation facility was required to reduce the radiotoxicity and decay heat of LLFP isotopes by at least 90% relative to their values at discharge from a commercial LWR, while consuming less than 10% of the reactor's energy. The identified LLFP isotopes are Se-79, Zr-93, Tc-99, I-129, Sn-126, and Cs-135, whose radiotoxicity is about 99% of the total radiotoxicity of all fission products at 1,000 years. Approximately ~72 kg of LLFPs is discharged every year from a 1,000 MWe commercial or advanced nuclear reactor. First, LLFP transmutation options with non-neutron beams (photons and protons) were explored. The study concluded that LLFP transmutation is feasible with high-energy, high-intensity photons or protons, but impractical on an engineering scale due to low transmutation rates and the high energy requirements to produce the desired photon or proton beams. As alternatives, LLFP transmutation options with neutrons from fission, fusion, and spallation reactions were additionally explored. The transmutation options using advanced critical reactors are attractive only for selective LLFP isotopes because the production rates of several LLFP isotopes (Zr-93, Sn-126, and Cs-135) from fission reactions are larger than the transmutation rates. The transmutation options with only spallation neutrons are favorable to transmute all LLFP isotopes, but as a tradeoff, the net transmutation rates are reduced. The national transmutation facility concept was developed following an exploration of transmutation options using various incident particles. The proposed national LLFP transmutation comprises a dedicated molten-salt reactor (MSR), a proton accelerator, and a spallation neutron-based transmuter. The MSR power was set at 300 MWt and 120 MWe, with the thermal power approximately 10% of that of a commercial 1,000 MWe PWR. The electricity generated by the MSR powers the accelerator and transmuter. The accelerator produces 1 GeV, 30 mA protons, which are introduced into the spallation neutron-based transmuter. The spallation neutron-based transmuter consists of a central spallation target and LLFP target pins merged in a heavy water tank. The six LLFP isotopes are separated into two groups. Tc-99, I-129, and Se-79, having larger neutron cross sections, belong to group A, while Zr-93, Sn126, and Cs-135, having smaller neutron cross sections, belong to group B. Then, for effective transmutation, LLFPs in groups A and B are transmuted in the dedicated MSR and in a spallation neutron-based transmuter, respectively. The estimated capital cost of the national transmutation facility is approximately $\$$3.1B, and its annual O&M cost is expected to be ~$\$$182M. Radiotoxicity and decay heat of LLFPs were calculated and compared with those of the original LLFPs. It was assumed that the targets were made with elementwise LLFP rather than isotopic LLFP, owing to the potentially high cost of isotopic separation from used nuclear fuels. The decay heat of LLFPs can be reduced by more than 90% using a single national transmutation facility. However, radiotoxicity decreases by 79–84%, which does not meet the transmutation performance requirement, primarily because Cs-135 is produced rather than depleted. Thus, to meet the design requirement, Cs-135 should be separated from other Cs isotopes and irradiated in a spallation neutron-based transmuter. Then, radiotoxicity decreases by ~92%.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI1994

Nuclear Safety [Vol. 35, No. 1, January-June 1994]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. THE CHERNOBYL ACCIDENT: 1 Chernobyl Accident Management Actions, A. R Sich; GENERAL SAFETY CONSIDERATIONS: 25 The IAEA-ASSET Approach to Avoiding Accidents is to Recognize the Precursors to Prevent Incidents, F. Reisch; ACCIDENT ANALYSIS: 36 A Review of the Available Information on the Triggering Stage of a Steam Explosion, D. F. Fletcher; 58 Analysis and Modeling of Flow-Blockage-Induced Steam Explosion Events in the High-Flux Isotope Reactor, R. P. Taleyarkhan, V. Georgevich, C. W. Nestor, U. Gat, B. L. Lepard, D. H. Cook, J. Freels, S. J. Chang, C. Luttrell, R. C. Gwaltney, and J. Kirkpatrick; 74 An Analysis of Disassembling the Radial Reflector of a Thermionic Space Nuclear Reactor Power System, M. S. El-Genk and D. V. Paramonov; CONTROL AND INSTRUMENTATION: 86 Standards for High-Integrity Software, D. R. Wallace, D. R. Kuhn, L M. Ippolito, and L. Beltracchi; DESIGN FEATURES: 98 Adoption of New Design Features for the Next Generation Nuclear Power Reactors, L. S. Tong; 114 Review of Nuclear Piping Seismic Design Requirements, G. C. Slagis and S. E. Moore; ENVIRONMENTAL EFFECTS: 128 PC-Based Probabilistic Safety Assessment Study for a Geological Waste Repository Placed in a Bedded Salt Formation, S. A. Khan; OPERATING EXPERIENCES: 142 Managing Aging in Nuclear Power Plants: Insights from NRC’s Maintenance Team Inspection Reports, A. Fresco and M. Subudhi; 150 Reactor Shutdown Experience, Compiled by J. W. Cletcher; 153 Selected Safety-Related Events, Compiled by G. A. Murphy; RECENT DEVELOPMENTS: 158 Reports, Standards, and Safety Guides, D. S. Queener; 168 Proposed Rule Changes as of Dec. 31, 1993; ANNOUNCEMENTS: 177 Symposium on Radioactive and Mixed Waste—Risk as a Basis for Waste Classification; 177 1995 Incineration Conference 178 Ninth Power Plant Dynamics Control and Testing Symposium; 174 The Authors

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Radiation Chemistry Research for Improved Nuclear Fuel Cycles

Nuclear energy is a key component of a global, low-carbon energy future. One of the challenges facing large-scale deployment of nuclear power is the long-term disposition of used nuclear fuel. Due to the political and technical challenges of siting deep geologic storage facilities, reprocessing of used nuclear fuel is desirable to reduce the total volume and decay heat of waste requiring long-term storage, enabling efficient usage of geologic storage repositories. However nuclear fuel reprocessing is complicated by intense multi-component radiation fields that degrade solvent systems that are used for this purpose. Resulting radiolytic degradation can result in reduced performance over time, and generation of additional waste. Thus, an understanding of the radiation-induced chemistry of these reprocessing solvent systems is crucial to for the development of new, radiation-resistant processes for efficiently treating used nuclear fuel. Controlled irradiation experiments combined with high-performance chromatography and mass spectrometry have provided comprehensive knowledge of radiolytic degradation pathways and kinetics, which is needed to predict the effect of radiation-induced chemistry on the performance of the nuclear fuel reprocessing technology. This talk will give an overview of recent progress in research on the radiation chemistry of fuel reprocessing molecules conducted by the Idaho National Laboratory Center for Radiation Chemistry Research (CR2) in conjunction with the Molecular Mass Spectrometry and Chromatography group.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Influences of Mg Ions and Al Ions on Deposition Behavior of Supersaturated Silicic Acid - 20261

Silicic acid can change into various species such as deposit, colloidal, and soluble form under certain conditions: for example, gradual pH changes around geological disposal repositories. In particular, silicic acid deposits narrow groundwater flow paths, thereby restricting the flow of groundwater. Such effects may contribute to a delay in radionuclide migration. Previous studies have reported that silicic acid supersaturated in sodium and calcium ions can narrow the flow paths. This study examined the effect of magnesium (Mg) and aluminum (Al) ions on the deposition of supersaturated silicic acid on the solid phase. The deposition behavior of supersaturated silicic acid on the solid phase was investigated in a batch system while changing the initial supersaturation concentration, the coexisting ion concentration, and the amount of added solid phase. In the presence of Mg ions, silicic acid precipitation increased with increasing Mg ion concentration due to the influence of the electrolyte, and crosslinking reactions. The coexistence of Al ions significantly suppressed silicic acid deposition due to the formation of a covering on the solid surface during Al ion hydrolysis under conditions of high Al concentration (1.4 mM). On the basis of these experimental results, the apparent deposition rate constant of silicic acid was estimated to be in the range from 10{sup -11} to 10{sup -10} m/s. The Damkoehler number (the dimensionless number expressed by the ratio of the characteristic time of mass transfer and the chemical reaction constant) was sufficient to cause the clogging of the host rock by deposition. This suggests that supersaturated silicic acid deposition, regardless of the presence of Mg ions (and Al ions), contributes to improving barrier performance against radionuclide migration in the host rock. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

Unsaturated alluvium disposal modelling with improved geological realism

This report describes specific activities in the Fiscal Year (FY) 2023 associated with the Geologic Disposal Safety Assessment (GDSA) Repository Systems Analysis (RSA) work package funded by the Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy Office of Nuclear Energy (DOE-NE), Office of Spent Fuel and Waste Disposition (SFWD). The overall objective of the GDSA RSA work package is to develop generic deep geologic repository concepts and system performance assessment (PA) models in several potential host-rock environments, and to simulate and analyze these generic repository concepts and models using the GDSA Framework toolkit and other tools as needed. The specific GDSA goal addressed in this report is reference case development, simulation, and analysis for the unsaturated alluvium (UZ), one of the four potential host-rocks considered by the GDSA. Further, we aim to exercise the simulation tools and methodologies under development by GDSA for PA modelling.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Toward Drilling the Perfect Geothermal Well: An International Research Coordination Network for Geothermal Drilling Optimization Supported by Deep Machine Learning and Cloud Based Data Aggregation

The EDGE project, supported by the U.S. Department of Energy Geothermal Technologies Office under award DE-EE0008793, established a data-driven framework for improving the efficiency, cost-effectiveness, and reliability of geothermal well drilling. The project focused on developing scalable data infrastructure, advanced machine learning and probabilistic models, and integrated analytics tools to support continuous drilling optimization. A central objective was to reduce geothermal drilling costs by up to seventy percent while minimizing the risk of well failure through predictive diagnostics and adaptive planning. Over the project period, a comprehensive data repository was designed and deployed, incorporating records from over one hundred geothermal wells across varied geological settings. This repository supported both structured and unstructured data and adhered to FAIR data principles, enabling provenance tracking, quality control, and standardized metadata. The project introduced automated ingestion pipelines and a cloud-hosted platform that facilitated access to raw, processed, and derived datasets. This infrastructure served as the foundation for model development and analysis. Machine learning workflows were developed to predict key drilling metrics including rate of penetration, non-productive time, and total drilling costs. Self-organizing maps and dimensionality reduction methods were used to uncover operational patterns and outliers, while supervised learning algorithms such as random forests and deep neural networks were applied to forecast performance outcomes. The models were validated on heterogeneous datasets from both U.S. and Icelandic fields, demonstrating variable but significant predictive accuracy. The results indicated that finer temporal resolution, inclusion of lithological data, and consistency in operational annotations could substantially improve model performance. The project also implemented process mining techniques to reconstruct state-transition models from drilling event logs. These models enabled the identification of deviations from optimal workflows and provided insights into recurring failure modes. Analysis of non-productive time highlighted the impact of equipment failures, geological challenges, and human factors, offering opportunities for targeted mitigation strategies. The EDGE Dashboard was developed as a web-based expert system integrating data visualization, model outputs, and user-driven queries. It provided an accessible interface for operators to explore historical data, evaluate predicted outcomes, and compare drilling scenarios. Initial feedback from project partners suggested that the dashboard could serve as a foundation for more advanced advisory and optimization tools. Overall, the EDGE project demonstrated the feasibility and value of applying modern data science techniques to geothermal drilling. It delivered a set of interoperable tools and models that can support more efficient, lower-risk well development. The findings point toward a viable path for transitioning from advisory analytics to semi-autonomous drilling systems, contingent on continued collaboration, expanded datasets, and field validation. The project results have immediate relevance for drilling operations, data management practices, and future geothermal R&D efforts aimed at achieving reliable, cost-competitive geothermal energy at scale.

15 GEOTHERMAL ENERGY↗

DOE OSTI2023

DECOVALEX-2023: Task F2-Salt Final Report

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

DECOVALEX-2023: Task F2 Salt Final Report

The subject of Task F of DECOVALEX-2023 concerns performance assessment modelling of radioactive waste disposal in deep mined repositories. The primary objectives of Task F are to build confidence in the models, methods, and software used for performance assessment (PA) of deep geologic nuclear waste repositories, and/or to bring to the fore additional research and development needed to improve PA methodologies. In Task F2- (salt), these objectives have been accomplished through staged development and comparison of the models and methods used by participating teams in their PA frameworks. Coupled-process submodels and deterministic simulations of the entire PA model for a reference scenario for waste disposal in domal salt have been conducted. The task specification has been updated continuously since the initiation of the project to reflect the staged development of the conceptual repository model and performance metrics. Thermal, hydrological, mechanical, and chemical properties of individual components of the engineered and natural system were chosen for relevance by participating teams. The salt reference case system was characterized using data and measurements collected at relevant underground research laboratories (URLs), field sites, and simulation results from teams with specialized modelling capability. Participating teams made a wide range of model assumptions from compartmentalized networks to full 3D models of the salt formation. No single contributed model includes full-fidelity representation of all the features, events, and processes (FEPs) detailed in the task specification, but almost all features and processes are represented in at least one model. Despite differences in the modelling strategies developed by participating teams, all models indicate that salt compaction and radionuclide diffusion are key processes in the repository, and for the FEPs and model scenario considered, little of the disposed radionuclides will migrate beyond the repository seal over the 100,000 year simulations. In general, the model output quantities have the largest differences over the short term and near the waste. The models tend to be more similar further from waste and at later time. Disparities between the models are believed to be due to differing simplifications from the task specification, some of which are chosen simplifications to reduce complexity, and some are restrictions imposed by the modelling tools. A second round of this task has been accepted for DECOVALEX-2027 in conjunction with Task F1 on crystalline PA modelling. The future round includes waste package heating, improved modelling of salt creep closure, additional comparisons of coupled-process sub-models, and the impact of repository engineering design on radionuclide migration in the repository. Participants will also propose and finalize a set of uncertain inputs for the reference case simulations, propagate these uncertainties in a set of realizations, and conduct sensitivity analyses on the simulation results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Comparing modelling approaches for a generic nuclear waste repository in salt

This paper contains a comparison of five modelling approaches for a simplified nuclear waste repository in a domal salt formation. It is the result of a four-year collaboration between five international teams on Task F of the DECOVALEX-2023 project on performance assessment modelling. The primary objectives of Task F are to build confidence in the models, methods, and software used for performance assessment (PA) of deep geologic nuclear waste repositories, and/or to bring to the fore additional research and development needed to improve PA methodologies. This work demonstrates how these objectives are accomplished through staged development and comparison of the models and methods used by participating teams in their PA frameworks. Participating teams made a wide range of model assumptions, ranging from compartmentalized networks to full 3D models of the salt formation and repository. Despite differences in the modelling strategies, all models indicate that salt compaction and diffusion of radionuclides in brine are key processes in the repository. For the isothermal spent nuclear fuel and vitrified waste scenario with multiple early failures considered, all models indicate little of the disposed radionuclides will migrate beyond the repository seal over the 100,000-year simulations. In general, the model output quantities have the largest differences over the short term and near the waste. Disparities between the models are believed to be due to differing simplifications from the conceptual model.

DECOVALEX↗

DOE OSTI2023

Water-Weakening and Time-Dependent Deformation of Organic-Rich Chalks

Abstract The Ghareb Formation is a shallowly buried porous chalk in southern Israel that is being considered as a host rock for a geologic nuclear waste repository. Setup and operation of a repository will induce significant mechanical, hydrological and chemical perturbations in the Ghareb. Developing a secure repository requires careful characterization of the rock behavior to different loads. To characterize hydromechanical behavior of the Ghareb, several short- and long-term deformation experiments were conducted. Hydrostatic loading tests were conducted both dry and water-saturated, using different setups to measure elastic properties, time-dependent behavior, and permeability. A set of triaxial tests were conducted to measure the elastic properties and rock strength under differential loading at dry and water-saturated conditions. The hydrostatic tests showed the Ghareb began to deform inelastically around 12–15 MPa, a relatively low effective pressure. Long-term permeability measurements demonstrated that permeability declined with increasing effective pressure and was permanently reduced by ~ 1 order of magnitude after unloading pressure. Triaxial tests showed that water saturation significantly degrades the rock properties of the Ghareb, indicating water-weakening is a significant risk during repository operation. Time-dependent deformation is observed during hold periods of both the hydrostatic and triaxial tests, with deformation being primarily visco-plastic. The rate of deformation and permeability loss is strongly controlled by the effective pressure as well. Additionally, during holds of both hydrostatic and triaxial tests, it is observed that when water-saturated, radial strain surpassed axial strain when above effective pressures of 13–20 MPa. Thus, deformation anisotropy may occur in situ during operations even if the stress conditions are hydrostatic when above this pressure range.

58 GEOSCIENCES↗

DOE OSTI2024

Temperature effects on adsorption and capillarity water retention mechanisms in constrained unsaturated soils

Abstract This paper focuses on the impact of elevated temperatures on the adsorptive and capillarity water retention mechanisms of unsaturated soils under constrained (constant volume) conditions. This topic is critical for simulating the thermo-hydraulic behavior of soils in hydrogeological or geotechnical applications, including climate change effects on near surface soils, energy piles or soil borehole thermal energy storage systems in unsaturated soil layers, and buffers for geological nuclear waste repositories. A nonisothermal soil water retention curve (SWRC) that separately considers the temperature-dependency of the key parameters governing adsorptive and capillarity water retention mechanisms and soil physical parameters (e.g., surface tension, contact angle, adsorption capacity, cation exchange capacity, mean cavitation suction, air entry value and equilibrium film thickness) was developed to provide insights into the impact of temperature on water retention over the full suction range. The nonisothermal SWRC was validated using experimental data on high plasticity clays, with a good prediction of temperature effects on adsorption and capillarity water retention mechanisms in constrained unsaturated soils.

Lu, Yu↗

DOE OSTI2020

High-Temperature Thermodynamics of Cerium Silicates, A-Ce 2 Si 2 O 7 , and Ce 4.67 (SiO 4 ) 3 O

Lanthanide disilicates and oxyapatites have potential roles in high temperature applications as thermal (TBC) and environmental barrier coatings (EBC), or possible alteration phases in geological nuclear waste repositories. However, those Ce 3+ -bearing silicates have only been limitedly studied. In this work, we performed detailed structural and thermodynamic investigations on A-Ce 2 Si 2 O 7 (tetragonal, P4 1 ) and Ce 4.67 (SiO 4 ) 3 O (hexagonal, P6 3 /m). The high temperature structural behaviors and coefficients of thermal expansion were determined by in situ high temperature synchrotron X-ray diffraction (HT-XRD) implemented with Rietveld analysis and thermogravimetric analysis coupled with differential scanning calorimetry (TGA-DSC). A-Ce 2 Si 2 O 7 was found to be stable in N 2 and air up to ~1483 K with anisotropic thermal expansion along the a and c axes (α a = 12.3 × 10 -6 K -1 and α c = 12.4 × 10 -6 K -1 ). Ce 4.67 (SiO 4 ) 3 O had a slow partial oxidation between 533 K and 873 K to a new nonstoichiometric phase Ce 3+ 1.67- xCe4 + x Ce 3+ 3 (SiO 4 ) 3 O 1+0.5x , followed by a thermal decomposition to CeO 2 and SiO 2 at ~1000 K in air. By using high temperature oxide melt solution calorimetry at 973 K with lead borate as the solvent, the standard enthalpy of formation was determined for A-Ce 2 Si 2 O 7 (-3825.1 ± 6.0 kJ/mol) and Ce 4.67 (SiO 4 ) 3 O (-7391.3 ± 9.5 kJ/mol). Finally, these thermodynamic parameters were compared with those of CeO 2 , CeSiO 4 , and other silicate oxyapatites for examining their chemical stability in high temperature environments relevant for aeronautical applications, mineral formation, and nuclear fuel cycle.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Uncertainty propagation in pore water chemical composition calculation using surrogate models

Performance assessment in deep geological nuclear waste repository systems necessitates an extended knowledge of the pore water chemical conditions prevailing in host-rock formations. In the last two decades, important progress has been made in the experimental characterization and thermodynamic modeling of pore water speciation, but the influence of experimental artifacts and uncertainties of thermodynamic input parameters are seldom evaluated. In this respect, we conducted an uncertainty propagation study in a reference geochemical model describing the pore water chemistry of the Callovian-Oxfordian clay formation. Nineteen model input parameters were perturbed, including those associated to experimental characterization (leached anions, exchanged cations, cation exchange selectivity coefficients) and those associated to generic thermodynamic databases (solubilities). A set of 13 quantities of interest were studied by the use of polynomial chaos expansions built non-intrusively with a least-squares forward stepwise regression approach. Training and validation sets of simulations were carried out using the geochemical speciation code PHREEQC. The statistical results explored the marginal distribution of each quantity of interest, their bivariate correlations as well as their global sensitivity indices. The influence of the assumed distributions for input parameters uncertainties was evaluated by considering two parametric domain sizes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Shale drilling field notes, lithologic descriptions, and core photographs of wells PLM5, PLM8, GUM1, and GLS1 at the East River Watershed, Colorado

The purpose of this dataset is to maintain a record of the shale drilling field notes, lithologic descriptions, and core photographs taken at the PLM5 (Pumphouse Lower Montane Borehole #5), PLM8 (Pumphouse Lower Montane Borehole #8), GUM1 (Gothic Upper Montane Borehole #1), and GLS1 (GLS1 = Gothic Lower Subalpine Borehole #1) wells at the East River Watershed, Colorado during October 2018 through November 2019. The wells were created as part of data collection for the Lawrence Berkeley National Laboratory Watershed Function Scientific Focus Area (WF SFA). This dataset consists of (1) detailed field notes and metadata (well locations, elevations, completion depths, and pressure transducer deployments) associated with drilling and coring activities accompanying the 2018 and 2019 installations of wells PLM5, PLM8, GUM1, and GLS1 and (2) high resolution photographs (*.png format) of all shale core recovered during the installations. Core photographs are labeled with location- and depth-specific names (e.g. PLM5_134-144ft), with the prefix (e.g. PLM5) indicating the well location and the suffix (e.g. 134-144ft) indicating the depth below ground surface of the recovered core. With the exception of core collected from well PLM5 from depths 0-59 feet, which were photographed by Tetsu Tokunaga in Berkeley, CA, all core was photographed by Kenneth H. Williams at the US Geological Survey core repository in Denver, Colorado, where all core samples are permanently archived.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Water transport pathway in clay interlayer upon dehydration [Slides]

Smectite (e.g., Montmorillonite): phyllosilicate minerals found in bentonites. Bentonites have been considered as key backfill barrier materials in deep geological nuclear waste repository concepts. Swelling/shrinking of montmorillonite (MMT) occurs with increasing/decreasing relative humidity. Our research question is, "Microscopically, how does the hydration/dehydration process occur?"

36 MATERIALS SCIENCE↗

DOE OSTI2020

Water transport pathway in clay interlayer upon dehydration [Slides]

Smectite (e.g., Montmorillonite): phyllosilicate minerals found in bentonites. Bentonites have been considered as key backfill barrier materials in deep geological nuclear waste repository concepts. Swelling/shrinking of montmorillonite (MMT) occurs with increasing/decreasing relative humidity. Microscopically, how does the hydration/dehydration process occur?

36 MATERIALS SCIENCE↗