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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.

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At least 307 records · Page 17

Evaluation of desiccation cracking characteristics of inorganic micro-fiber-reinforced engineered barrier material (IMEBM) for geological repository

Abstract Buffer material is crucial for the engineering barrier system to dispose of high-level radioactive waste in a geological repository. A reliable buffer material should be able to maintain good sealing characteristics and minimize desiccation cracking. In this study, the effectiveness of inorganic fiber-reinforced engineering barrier material in reducing desiccation cracks in bentonite was evaluated via desiccation tests, image analysis, and air permeability tests. The effects of fiber type (E-glass fiber and basalt fiber) and fiber content (0.0%, 0.5%, 1.0%, 1.5%, 3.0%, and 5.0% of dry weight of the bentonite) on the development of desiccation cracks in the fiber–bentonite mixtures with the same given initial moisture content were evaluated. The results indicated that the addition of fibers could significantly reduce the crack size and area in bentonite during the drying. Basalt fibers showed a slightly better reinforcement effect than E-glass fibers when the fiber content was lower than 3.0%. The addition of fibers prevented the development of penetrating cracks and significantly reduced the permeability of the bentonite after drying. The permeabilities of basalt fiber- and E-glass fiber-reinforced bentonite composites with 3% reinforcement were 5.81 × 10 –11 m 2 and 7.24 × 10 –11 m 2 , respectively, which were 64 and 51 times smaller than that of pure bentonite. X-ray–CT observation of the internal structure of the samples after drying showed that the addition of fibers significantly changed the crack morphology and potentially increased the tortuosity.

Feng, Yuan↗

Sensitivity analysis of generic deep geologic repository with focus on spatial heterogeneity induced by stochastic fracture network generation

Geologic Disposal Safety Assessment Framework is a state-of-the-art simulation software toolkit for probabilistic post-closure performance assessment of systems for deep geologic disposal of nuclear waste developed by the United States Department of Energy. This paper presents a generic reference case and shows how it is being used to develop and demonstrate performance assessment methods within the Geologic Disposal Safety Assessment Framework that mitigate some of the challenges posed by high uncertainty and limited computational resources. Variance-based global sensitivity analysis is applied to assess the effects of spatial heterogeneity using graph-based summary measures for scalar and time-varying quantities of interest. Behavior of the system with respect to spatial heterogeneity is further investigated using ratios of water fluxes. This analysis shows that spatial heterogeneity is a dominant uncertainty in predictions of repository performance which can be identified in global sensitivity analysis using proxy variables derived from graph descriptions of discrete fracture networks. New quantities of interest defined using water fluxes proved useful for better understanding overall system behavior.

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A record of uranium-series transport at Nopal I, Sierra Pena Blanca, Mexico: Implications for natural uranium deposits and radioactive waste repositories

Studies of uranium-series (U-series) disequilibria within and around ore deposits provide valuable information on the extent and timing of actinide mobility, via mineral-fluid interaction, over a range of spatial and temporal scales. Such information is useful in studies of analogs of high-level nuclear-waste repositories, as well as for mining and mineral extraction sites, locations of previous nuclear weapons testing, and legacy nuclear waste contamination. In this study we present isotope dilution mass spectrometry U-series measurements for fracture-fill materials (hematite, goethite, kaolinite, calcite, dolomite and quartz) from one such analog; the Nopal I uranium ore deposit situated at Peña Blanca in the Chihuahua region of northern Mexico. The ore deposit is located in fractured, unsaturated volcanic tuff and fracture-fill materials from surface fractures as well as fractures in a vertical drill core have been analyzed. High uranium concentrations in the fracture-fill materials (between 12 and 7700 ppm) indicate uranium mobility and transport from the deposit. Furthermore, uranium concentrations generally decrease with horizontal distance away from the deposit but in this deposit there is no trend with depth below the surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Estimation of stress and stress-induced permeability change in a geological nuclear waste repository in a thermo-hydrologically coupled simulation

Geologic disposal is a promising solution for a safe permanent isolation of accumulated high-level nuclear waste from nuclear powerplants. The behavior of host rock is highly coupled thermally, hydromechanically, and chemically. Numerical simulations of such coupled phenomena for the extremely long term (>100,000 years) and large length scale (>1 km) of geologic disposal remain to be computationally challenging. In this study, a methodology has been developed to approximate stress and stress-induced permeability change in host rock using only thermo-hydrological (TH) variables. A coupled thermo-hydromechanical (THM) simulation is carried out using TOUGH-FLAC simulator to model THM behaviors of a generic nuclear waste repository, in order to evaluate the performance of the developed methodology, which is implemented in a coupled TH simulation. Results show that stress and permeability change estimated by the developed methodology in the TH-coupled simulation match those calculated in the THM-coupled simulation over the simulated timeframe of over 10,000 years. Details about errors in stress and permeability estimates accrued by the developed methodology are discussed here. The developed methodology will help incorporate stress-induced permeability change into existing TH simulators for the long-term radionuclide transport in geologic disposal.

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CPTAC Assay Portal: a repository of targeted proteomic assays

To address these issues, the Clinical Proteomic Tumor Analysis Consortium (CPTAC) of the National Cancer Institute (NCI) has launched an Assay Portal (http://assays.cancer.gov) to serve as a public repository of well-characterized quantitative, MS-based, targeted proteomic assays. The purpose of the CPTAC Assay Portal is to facilitate widespread adoption of targeted MS assays by disseminating SOPs, reagents, and assay characterization data for highly characterized assays. A primary aim of the NCI-supported portal is to bring together clinicians or biologists and analytical chemists to answer hypothesis-driven questions using targeted, MS-based assays. Assay content is easily accessed through queries and filters, enabling investigators to find assays to proteins relevant to their areas of interest. Detailed characterization data are available for each assay, enabling researchers to evaluate assay performance prior to launching the assay in their own laboratory.

Environmental Molecular Sciences Laboratory↗

The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design

The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning (ML) techniques. JARVIS is motivated by the Materials Genome Initiative (MGI) principles of developing open-access databases and tools to reduce the cost and development time of materials discovery, optimization, and deployment. The major features of JARVIS are: JARVIS-DFT, JARVIS-FF, JARVIS-ML, and JARVIS-tools. To date, JARVIS consists of ≈40,000 materials and ≈1 million calculated properties in JARVIS-DFT, ≈500 materials and ≈110 force-fields in JARVIS-FF, and ≈25 ML models for material-property predictions in JARVIS-ML, all of which are continuously expanding. JARVIS-tools provides scripts and workflows for running and analyzing various simulations. We compare our computational data to experiments or high-fidelity computational methods wherever applicable to evaluate error/uncertainty in predictions. In addition to the existing workflows, the infrastructure can support a wide variety of other technologically important applications as part of the data-driven materials design paradigm. The JARVIS datasets and tools are publicly available at the website: https://jarvis.nist.gov .

36 MATERIALS SCIENCE↗

Repository scale classification and decomposition of tandem mass spectral data

Various studies have shown associations between molecular features and phenotypes of biological samples. These studies, however, focus on a single phenotype per study and are not applicable to repository scale metabolomics data. Here we report MetSummarizer, a method for predicting (i) the biological phenotypes of environmental and host-oriented samples, and (ii) the raw ingredient composition of complex mixtures. We show that the aggregation of various metabolomic datasets can improve the accuracy of predictions. Since these datasets have been collected using different standards at various laboratories, in order to get unbiased results it is crucial to detect and discard standard-specific features during the classification step. We further report high accuracy in prediction of the raw ingredient composition of complex foods from the Global Foodomics Project.

59 BASIC BIOLOGICAL SCIENCES↗

Use of a Dual-Structure Constitutive Model for Predicting the Long-Term Behavior of an Expansive Clay Buffer in a Nuclear Waste Repository

Expansive soils are suitable as backfill and buffer materials in engineered barrier systems to isolate heat-generating nuclear waste in deep geological formations. The canisters containing nuclear waste would be placed in tunnels excavated at a depth of several hundred meters. The expansive soil should provide enough swelling capacity to support the tunnel walls, thereby reducing the impact of the excavation-damaged zone on the long-term mechanical and flow-barrier performance. In addition to their swelling capacity, expansive soils are characterized by accumulating irreversible strain on suction cycles and by effects of microstructural swelling on water permeability that for backfill or buffer materials can significantly delay the time it takes to reach full saturation. In order to simulate these characteristics of expansive soils, a dual-structure constitutive model that includes two porosity levels is necessary. The authors present the formulation of a dual-structure model and describe its implementation into a coupled fluid flow and geomechanical numerical simulator. The authors use the Barcelona Basic Model (BBM), which is an elastoplastic constitutive model for unsaturated soils, to model the macrostructure, and it is assumed that the strains of the microstructure, which are volumetric and elastic, induce plastic strain to the macrostructure. The authors tested and demonstrated the capabilities of the implemented dual-structure model by modeling and reproducing observed behavior in two laboratory tests of expansive clay. As observed in the experiments, the simulations yielded nonreversible strain accumulation with suction cycles and a decreasing swelling capacity with increasing confining stress. Finally, the authors modeled, for the first time using a dual-structure model, the long-term (100,000 years) performance of a generic heat-generating nuclear waste repository with waste emplacement in horizontal tunnels backfilled with expansive clay and hosted in a clay rock formation. The thermo-hydro-mechanical results of the dual-structure model were compared with those of the standard single-structure BBM. The main difference between the simulation results from the two models is that the dual-structure model predicted a time to fully saturate the expansive clay barrier on the order of thousands of years, whereas the standard single-structure BBM yielded a time on the order of tens of years. These examples show that a dual-structure model, such as the one presented here, is necessary to properly model the thermo-hydro-mechanical behavior of expansive soils.

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TomoBank: a tomographic data repository for computational x-ray science

There is a widening gap between the fast advancement of computational methods for tomographic reconstruction and their successful implementation in production software at various synchrotron facilities. This is due in part to the lack of readily available instrument datasets and phantoms representative of real materials for validation and comparison of new numerical methods. Recent advancements in detector technology made sub-second and multi-energy tomographic data collection possible [1], but also increased the demand to develop new reconstruction methods able to handle in-situ [2] and dynamic systems [3] that can be quickly incorporated in beamline production software [4]. The X-ray Tomography Data Bank, tomoBank, provides a repository of experimental and simulated datasets with the aim to foster collaboration among computational scientists, beamline scientists, and experimentalists and to accelerate the development and implementation of tomographic reconstruction methods for synchrotron facility production software by providing easy access to challenging dataset and their descriptors.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Cryptonite: A Secure and Performant Data Repository on Public Clouds

Cloud storage has become immensely popular for maintaining synchronized copies of files and for sharing documents with collaborators. However, there is heightened concern about the security and privacy of Cloud-hosted data due to the shared infrastructure model and an implicit trust in the service providers. Emerging needs of secure data storage and sharing for domains like Smart Power Grids, which deal with sensitive consumer data, require the persistence and availability of Cloud storage but with client-controlled security and encryption, low key management overhead, and minimal performance costs. Cryptonite is a secure Cloud storage repository that addresses these requirements using a StrongBox model for shared key management.We describe the Cryptonite service and desktop client, discuss performance optimizations, and provide an empirical analysis of the improvements. Our experiments shows that Cryptonite clients achieve a 40% improvement in file upload bandwidth over plaintext storage using the Azure Storage Client API despite the added security benefits, while our file download performance is 5 times faster than the baseline for files greater than 100MB.

Cloud data storage↗

A Survey of Open Source Software Repositories in the U.S. Department of Energy’s National Laboratories

There are 17 national laboratory systems in the United States operating under the auspices of the U.S. Department of Energy (DOE). These government labs employ tens of thousands of people engaging in research software engineering activities across a variety of missions. To support this work, many open source projects are maintained. Further, many of these projects have broad utility to the computing community at large and domain scientists in a variety of fields. However, the complexity and decentralized nature of the laboratory system has resulted in a situation where no one entity even knows about all the open source software projects in this ecosystem, let alone crude metrics of their health. In this article, we do the first external inventory of open source software repositories with a nexus to DOE labs. We posit that a project’s need for sustainability support can be determined by comparing measures of active use to measures of active maintenance.

97 MATHEMATICS AND COMPUTING↗

Tectonic risk forecasting through expert elicitation for geological repositories: the TOPAZ project

This paper describes the development of a probabilistic methodology for the evaluation of tectonic hazards to geological repositories in Japan. The approach is a development of NUMO's ITM methodology, which produced probabilistic hazard maps for volcanism and rock deformation for periods up to about 100,000 years in a set of Case Studies that covered a large area of the country. To address potential regulatory requirements, the TOPAZ project has extended the ITM methodology to look into the period between 100,000 and 1 million years, where significant uncertainties begin to emerge about the tectonic framework within which quantitative forecasting can be made. Part of this methodology extension has been to adopt expert elicitation techniques to capture differing expert views as a means of addressing such uncertainties. This paper briefly outlines progress in this development work to date. (authors)

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Impact of advanced fuel cycles on uncertainty associated with geologic repositories

This paper provides a qualitative evaluation of the impact of advanced fuel cycles, particularly partition and transmutation of actinides, on the uncertainty associated with geologic disposal. Based on the discussion, advanced fuel cycles, will not materially alter (1) the repository performance (2) the spread in dose results around the mean (3) the modeling effort to include significant features, events, and processes in the performance assessment, or (4) the characterization of uncertainty associated with a geologic disposal system in the regulatory environment of the United States. (authors)

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Long-term monitoring experiences at the HADES underground lab and its relevance for radwaste repository monitoring

In the frame of its radwaste disposal research programme, SCK-CEN started the construction of the HADES underground research facility in 1980. Including several extensions and a comprehensive experimental programme, it has provided a lot of experience on monitoring. Monitoring is performed for many reasons: construction follow-up, field characterisation, investigation of phenomena, and model validations - in which the underground lab offers the opportunity for up-scaling conventional laboratory set-ups. Construction monitoring has allowed to develop and optimise the underground construction techniques in a previously poorly known environment, resulting in a well-mastered application of mechanised methods for gallery construction with minimal damage to the host formation. Access to this formation also allows its characterisation, both geotechnical, geological and geochemical, and the detailed investigation of phenomena such as fracturing and oxidation. Finally, instrumented set-ups allow to test various numerical models by comparing the observations with the predicted behaviour. The specific conditions of the underground laboratory put particular requirements to the sensors. These conditions include the long-term nature of many set-ups - typically several years to decades, the inaccessibility of many sensors after installation, high mechanical and water pressures, and corrosion. Combined with the fact that many sensors are custom made, obtaining and maintaining a fully functional instrumented set-up can be challenging. A lot of experience has therefore been gained which is very valuable when designing the monitoring of radwaste repositories - and it has allowed us to determine the critical success factors for monitoring. Engineers tend to look at this first from a technical viewpoint - and there are many technical aspects indeed that determine the reliability of monitoring. A first one is the combination of different observations ('redundancy') which can be implemented by the use of several sensors, different sensor principles, different (coupled) parameters, and the combination of point measurements with geophysical techniques. Cabling is also a critical issue as it is often considered as the primary enemy of barrier integrity. Minimal cabling techniques, such as distributed fibre optic monitoring and wireless signal transmission, therefore get increasing attention. Also the interpretation of the monitoring data - in particular those that are perceived as 'wrong' or 'unexpected', needs sufficient attention. The long-term experience has however also shown that the design of a monitoring programme must look beyond the technical part. In particular for long-term applications, issues such as data management and record keeping are vital to guarantee success in this. (authors)

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Deeplynx Dag Repository

The DeepLynx DAG repository will contain several Airflow DAGs (Directed Acyclic Graphs) which will be used in the context of DeepLynx's deployed Apache Airflow instance. These DAGs will be used for multiple data management tasks for DeepLynx data, including but not limited to: - bringing data from various sources and tools into DeepLynx - managing sequential data workflows, such as running Python scripts on data to perform analysis and returning the results to DeepLynx - performing any necessary transformation or pre-processing on data coming into DeepLynx from external sources or out of DeepLynx to go to external applications

Brownlee, JarenM.↗

Cytrics Repository Of Analysis Tools And Engineering Resources

Cybersecurity Testing for Resilient Industrial Control Systems (CyTRICS) is a DOE-funded project that works with vendors to evaluate the cybersecurity of equipment used in US critical infrastructure. In the process of testing systems, CyTRICS researchers often develop custom tools. The tools in this repository were developed during multiple CyTRICS tests to assist with the testing process. They help solve problems encountered by CyTRICS researchers and address uncommon testing subjects for which limited tooling is available. They are useful to other researchers working on similar systems and architectures.

Laird, SutterE↗

KCuF3 KPZ data repository

Data repository for 'Detection of Kardar-Parisi-Zhang hydrodynamics in a quantum Heisenberg spin-1/2 chain'. Data taken on KCuF3 on SEQUOIA spectrometer at ORNL's SNS.

1D spin chain↗

ORNL/TM-2021/2046 Appendix data repository

Repository of data files used to generate plots for Post-Closure Nuclear Criticality Safety Evaluations for Disposition of Criticality Control Overpacks at the Waste Isolation Pilot Plant (ORNL/TM-2021/2046). See the readme for information contained in the individual files. See the report for description of the models used to generate the data.

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