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At least 1,045 records · Page 58

CARDINAL

Cardinal is a code that automates the workflow for iteratively solving neutral particle transport via the OpenMC code and computational fluid dynamics via the NekRS code within the Multiphysics Object Oriented Simulation Environment (MOOSE), a finite element framework for solving general partial differential equations. Cardinal establishes a mapping between the Monte Carlo geometry representation used in OpenMC and the spectral element mesh used in NekRS to other physics applications built upon the MOOSE framework, allowing high-resolution particle transport and fluid dynamics physics feedback to the MOOSE application ecosystem. Heat generation rates as solved by OpenMC are used as heat sources in MOOSE, while the temperature and density fields from NekRS are used as conjugate heat transfer boundary conditions and/or source fields in MOOSE. OpenMC, Nek5000, and MOOSE are open source, community-developed simulation codes.

NOVAK, APRILJEAN RODGERS↗

Narrow-Band Least-Squares Infrasound Array Processing

Infrasound data from arrays can be used to detect, locate, and quantify a variety of natural and anthropogenic sources from local to remote distances. However, many array processing methods use a single broad frequency range to process the data, which can lead to signals of interest being missed due to the choice of frequency limits or simultaneous clutter sources. In this work, we introduce a new open-source Python code that processes infrasound array data in multiple sequential narrow frequency bands using the least-squares approach. We test our algorithm on a few examples of natural sources (volcanic eruptions, mass movements, and bolides) for a variety of array configurations. Our method reduces the need to choose frequency limits for processing, which may result in missed signals, and it is parallelized to decrease the computational burden. Improvements of our narrow-band least-squares algorithm over broad-band least-squares processing include the ability to distinguish between multiple simultaneous sources if distinct in their frequency content (e.g., microbarom or surf vs. volcanic eruption), the ability to track changes in frequency content of a signal through time, and a decreased need to fine-tune frequency limits for processing. We incorporate a measure of planarity of the wavefield across the array (sigma tau, στ) as well as the ability to utilize the robust least trimmed squares algorithm to improve signal processing and insight into array performance. Our implementation allows for more detailed characterization of infrasound signals recorded at arrays that can improve monitoring and enhance research capabilities.

58 GEOSCIENCES↗

HDF-EOS Web Server

A shell script has been written as a means of automatically making HDF-EOS-formatted data sets available via the World Wide Web. ("HDF-EOS" and variants thereof are defined in the first of the two immediately preceding articles.) The shell script chains together some software tools developed by the Data Usability Group at Goddard Space Flight Center to perform the following actions: Extract metadata in Object Definition Language (ODL) from an HDF-EOS file, Convert the metadata from ODL to Extensible Markup Language (XML), Reformat the XML metadata into human-readable Hypertext Markup Language (HTML), Publish the HTML metadata and the original HDF-EOS file to a Web server and an Open-source Project for a Network Data Access Protocol (OPeN-DAP) server computer, and Reformat the XML metadata and submit the resulting file to the EOS Clearinghouse, which is a Web-based metadata clearinghouse that facilitates searching for, and exchange of, Earth-Science data.

Ullman, Richard↗

Standards, dissemination, and best practices in systems biology

In this study, the reproducibility of scientific research is crucial to the success of the scientific method. Here, we review the current best practices when publishing mechanistic models in systems biology. We recommend, where possible, to use software engineering strategies such as testing, verification, validation, documentation, versioning, iterative development, and continuous integration. In addition, adhering to the Findable, Accessible, Interoperable, and Reusable modeling principles allows other scientists to collaborate and build off of each other’s work. Existing standards such as Systems Biology Markup Language, CellML, or Simulation Experiment Description Markup Language can greatly improve the likelihood that a published model is reproducible, especially if such models are deposited in well-established model repositories. Where models are published in executable programming languages, the source code and their data should be published as open-source in public code repositories together with any documentation and testing code. For complex models, we recommend container-based solutions where any software dependencies and the run-time context can be easily replicated.

59 BASIC BIOLOGICAL SCIENCES↗

On-demand Command and Control of ASTERIA with Cloud-based Ground Station Services

ASTERIA (Arcsecond Space Telescope Enabling Research in Astrophysics) was a 6-unit CubeSat technology demonstration mission that deployed from the International Space Station on November 20th, 2017. After successfully completing its 90-day primary mission that demonstrated arcsecond-level line-of-sight pointing and focal plane thermal stability for exoplanet detection, it entered an extended mission performing onboard software demonstrations to mature technology both in space and on the ground. One of the technologies was a completely cloud-based ground system leveraging Amazon Web Services (AWS) Ground Station service.Announced in December 2018 and launched in May 2019, AWS Ground Station is a fully managed ground station service that aims to reduce the overhead associated with developing and maintaining ground system infrastructure throughout the mission lifecycle. AWS Ground Station makes available the suite of features required for any ground system in support of low-Earth orbit (LEO) and medium-Earth Orbit (MEO) satellite operations on-demand and without setting up or maintaining long-term contracts. Charges are incurred on a per-minute basis for antenna usage during scheduled tracks. Support is available for S-band uplink and downlink, along with X-band narrowband and wideband downlink. Missions that use the service may reserve tracks with any licensed AWS Ground Station antennas located across each service region and have direct access to any AWS services in support of mission operations.The cloud-based architecture built around the AWS Ground Station service greatly enhanced ASTERIA mission operations by enabling end-to-end pass automation, on-demand contact scheduling and contingency planning, along with more efficient data downlink through station availability and station-to-station handovers. It incorporated open-source software, particularly NASA's AMMOS Instrument Toolkit (AIT) and Open Mission Control Technologies (OpenMCT), along with the AWS application programming interfaces (API) to the Ground Station, Elastic Compute Cloud (EC2) and Simple Storage Service (S3) services. After showcasing operability in August 2019, the team continued using and improving this novel ground system architecture until the end of mission in December 2019. This paper describes the cloud-based ground system, how it was designed, tested, and evaluated with an in-orbit spacecraft, the operational capabilities that it enabled, along with lessons learned and recommendations for future missions.

Fesq, Lorraine↗

On-demand Command and Control of ASTERIA with Cloud-based Ground Station Services

ASTERIA (Arcsecond Space Telescope Enabling Research in Astrophysics) was a 6-unit CubeSat technology demonstration mission that deployed from the International Space Station on November 20th, 2017. After successfully completing its 90-day primary mission that demonstrated arcsecond-level line-of-sight pointing and focal plane thermal stability for exoplanet detection, it entered an extended mission performing onboard software demonstrations to mature technology both in space and on the ground. One of the technologies was a completely cloud-based ground system leveraging Amazon Web Services (AWS) Ground Station service. Announced in December 2018 and launched in May 2019, AWS Ground Station is a fully managed ground station service that aims to reduce the overhead associated with developing and maintaining ground system infrastructure throughout the mission lifecycle. AWS Ground Station makes available the suite of features required for any ground system in support of low-Earth orbit (LEO) and medium-Earth Orbit (MEO) satellite operations on-demand and without setting up or maintaining long-term contracts. Charges are incurred on a per-minute basis for antenna usage during scheduled tracks. Support is available for S-band uplink and downlink, along with X-band narrowband and wideband downlink. Missions that use the service may reserve tracks with any licensed AWS Ground Station antennas located across each service region and have direct access to any AWS services in support of mission operations. The cloud-based architecture built around the AWS Ground Station service greatly enhanced ASTERIA mission operations by enabling end-to-end pass automation, on-demand contact scheduling and contingency planning, along with more efficient data downlink through station availability and station-tostation handovers. It incorporated open-source software, particularly NASA's AMMOS Instrument Toolkit (AIT) and Open Mission Control Technologies (OpenMCT), along with the AWS application programming interfaces (API) to the Ground Station, Elastic Compute Cloud (EC2) and Simple Storage Service (S3) services. After showcasing operability in August 2019, the team continued using and improving this novel ground system architecture until the end of mission in December 2019. This paper describes the cloud-based ground system, how it was designed, tested, and evaluated with an inorbit spacecraft, the operational capabilities that it enabled, along with lessons learned and recommendations for future missions.

Fesq, Lorraine↗

Enabling Design Space Exploration for RISC-V Secure Compute Environments

Cycle-level architectural simulation of Trusted Execution Environments (TEEs) can enable extensive design space exploration of these secure architectures. Existing architectural simulators which support TEEs are either based on hardware-level implementations or abstract analytic models. In this paper, we describe the implementation of the gem5 models necessary to run and evaluate the RISC- V-based open source TEE, Keystone, and we discuss how this simulation environment opens new avenues for designing and studying these trusted environments. We show that the Keystone simulations on gem5 exhibit similar performance as the previous hardware evaluations of Keystone. We also describe three simple example use cases (understanding the reason of trusted execution slowdown, performance of memory encryption, and micro-architecture impact on trusted execution performance) to demonstrate how the ability to simulate TEEs can provide useful information about their behavior in the existing form and also with enhanced designs.

97 MATHEMATICS AND COMPUTING↗

Retrofitting Holcim Ste. Genevieve Cement Plant with CO2 Capture Plant Using Air Liquide Cryocap™ FG Technology

The global cement manufacturing industry is a major contributor to carbon dioxide emissions. The International Energy Agency's "Net Zero Emissions by 2050 Scenario" identifies CCS as a major strategy for meeting that goal. This project is among the first attempts to transfer capture technology developed at coal-fired power plants to the cement industry. The main objective of the project is to execute and complete a front-end engineering and design (FEED) studies for commercial-scale, carbon capture projects that separates 95% of the total CO2 emissions at the Holcim (US) Ste. Genevieve cement manufacturing facility using Air Liquide’s Pressure Swing Adsorption system (PSA) assisted Cryocap™ technology. The Holcim Ste. Genevieve cement plant in Missouri, US, boasts one of the largest single cement production lines in the world, with a capacity of approximately 12,000 t/day. The plant currently uses traditional fuels, namely coal and petcoke. The captured CO2 will be pipeline and geological storage grade. The industrial host site emits approximately 3.0 million tonne CO2/yr. Air Liquide’s Cryocap™ technology has been developed over the last 18+ years for CO2 capture applications. It has been shown to be applicable to a variety of industrial applications (e.g., steel, cement, SMR, Fluidized Catalytic Crackers (FCCs)). Cryocap™ FG consists of a Pressure Swing Adsorption (PSA) unit coupled with a Cryogenic System. The PSA pre-concentrates the CO2 from the flue gas, while the cryogenic unit enables the CO2 purity to be increased to the desired level. The project team is led by the Prairie Research Institute at the University of Illinois at Urbana-Champaign. The tasks include: complete FEED study for retrofitting the industrial facility with a carbon capture system to support developing a detailed cost estimate; business case analysis outlining the anticipated revenue and credits if projects was built and operated; technoeconomic analysis (TEA) outlining how capture system achieves DOE capture goals; and life cycle (LCA) analysis demonstrating zero net carbon emissions. The FEED study was successfully completed. This includes completing the process basis of design; preliminary engineering; outside battery limits (OSBL) detailed engineering including a Zero Liquid Discharge (ZLD) wastewater treatment system; inside battery limits (ISBL) detailed engineering [1]. An overall project capital cost estimate within a -20%/+30% accuracy was developed. The major contributors to the Total Plant Cost (TPC), by system, are the costs associated with the Outside Battery Limit (OSBL) section of the plant which includes a new river water intake structure and a Zero Liquid Discharge (ZLD) system. By cost category, the major contributors to the TPC are equipment and subcontractor costs, followed closely by engineering, construction management, home office and contractor fees. The TEA has been created to reflect the findings of the project. It analyzes the economic performance of the Cryocap™ technology by reviewing the estimated capital costs, operating cost, and revenue. The Cost of Capture (COC) associated with the Cryocap™ technology for 95% CO2 capture, when considering NETL 2018 economic assumptions (42/58 debt/equity ratio, 5.15% interest on debt and 1.42% return on equity in real dollars) and 2022 economic assumptions (42/58 debt/equity ratio, 8.82% interest on debt and 4.90% return on equity in real dollars) was found to be much lower than that for the DOE-NETL’s base-line cases. The highest contributors to the COC are annualized capital expenditures (CAPEX) and electricity consumption which can be offset by using lower cost renewable sources. The LCA was conducted using OpenLCA which is an open-source software that is recommended by NETL. The database utilized for this study was a modified version of TRACI 2.1 (developed by the US. Environmental Protection Agency’s National Risk Management Research Laboratory and modified by NETL). The Cryocap™ FG technology does not consume fuels in significant quantities and does not utilize specialized chemical solvents subject to decomposition, such as those utilized in amine-based carbon capture systems. The Cryocap™ FG technology mainly utilizes electricity as its energy input; hence, its calculated emissions are mainly associated with the generation of electricity offsite and are dependent on the energy matrix of the grid at the time of project implementation. The water consumption impact of the Cryocap™ FG is mostly for makeup of the water lost by evaporation in the cooling tower; however, the carbon capture plant will be equipped with a ZLD system to avoid effluent streams and minimize water consumption. The successful construction and operation of this plant based on this study results will provide a means to demonstrate an economically attractive and transformational capture technology that can be used to retrofit existing plants and be deployed at new plants.

01 COAL, LIGNITE, AND PEAT↗

Passive rejection of heat from an isotope heat source through an open door

The isotope heat-source design for a Brayton power system includes a door in the thermal insulation through which the heat can be passively rejected to space when the power system is not operating. The results of an analysis to predict the heat-source surface temperature and the heat-source heat-exchanger temperature during passive heat rejection as a function of insulation door opening angle are presented. They show that for a door opening angle greater than 20 deg, the temperatures are less than the steady-state temperatures during power system operation.

Burns, R. K.↗

A Poisson equation method for prescribing fully developed non-Newtonian inlet conditions for computational fluid dynamics simulations in models of arbitrary cross-section

Prescribing inlet boundary conditions for computational fluid dynamics (CFD) simulations of internal flow in complex geometries such as anatomical vascular models is challenging. In the absence of patient-specific inlet velocity data, a common approach for long blood vessels is to assume that the inlet flow is fully developed. In vessels of irregular cross section, however, prescribing fully developed conditions is complicated due to the lack of a general closed-form analytical solution. In this study, we develop a simple Poisson equation method for prescribing fully developed inlet conditions for the flow of either Newtonian or non-Newtonian fluids in CFD models of arbitrary cross-section. We first derive the generalized Poisson equation for fully developed flow of a non-Newtonian fluid and we then develop and verify a methodology for numerically computing the solution on any planar boundary domain. In addition, we develop a simple extension of the method for prescribing a non-orthogonal inlet velocity that represents fully developed flow from an upstream tube that is connected to the CFD inlet at a non-orthogonal angle. This may be used to investigate a common source of uncertainty in CFD simulations of internal flow that is due to a lack of information concerning the exact streamwise flow direction at the inlets. Comparison to several Newtonian and non-Newtonian benchmark verification solutions shows the method to be extremely accurate. As a practical demonstration case, we use the method to prescribe fully developed conditions on multiple non-circular inlets for the non-Newtonian flow of blood in a patient-specific model of the inferior vena cava (IVC). Finally, we further demonstrate the utility of the method by performing a sensitivity study using the patient-specific IVC model, wherein we investigate the influence of inlet velocity flow direction on the non-Newtonian IVC hemodynamics. Given its simplicity and computational efficiency, the method is shown to be far superior to alternative approaches for prescribing fully developed inlet conditions in such complicated geometries. In conclusion, to facilitate the adoption of our Poisson equation method, we have distributed our OpenFOAM source code and the associated test cases from this study as open-source software.

97 MATHEMATICS AND COMPUTING↗

Abbreviated Report for 25-FS-011: Switch and Stitch Similar Subgraph Synthesizer

Government institutions utilize software from a wide array of development sources, including those written by large software companies, government contractors, and open-source repositories. Avoiding installation of malicious software components is an important national security endeavor. Automated analysis of previously unseen software is an active research area, and there is much research in the design of systems that compare new software artifacts to a large set of previously seen software records organized by various behaviors they contain. One attractive approach is to turn each compiled software binary into a graph representation and apply a graph similarity model that scores pairs of binaries by their relative similarity. When a pair is deemed similar, it is useful to know why, in the sense of providing explanations to security analysts regarding which portions of the software they should look into further.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Hybrid-Energy-Powered Electrochemical Ocean Alkalinity Enhancement Model: Plant Operation, Cost, and Profitability

Electrochemical ocean alkalinity enhancement is a form of marine carbon dioxide removal, a rapidly growing industry that is powered by efficient onshore or offshore energy sources. As more and larger deployments are being planned, it is important to consider how variable energy sources like tidal energy can impact plant performance and costs. An open-source Python-based generalizable model for electrodialysis-based ocean alkalinity enhancement has been developed that can capture key system-level insights of the electrochemistry, ocean chemistry, acid disposal, and co-product creation of these plants under various conditions. The model additionally accounts for hybrid energy system performance profiles and costs via the National Laboratory of the Rockies’ H2Integrate tool. The model was used to analyze an example theoretical plant deployment in North Admiralty Inlet, including how the plant is impacted by the available energy sources in the region and the scale at which plant costs are covered by the co-products it generates, such as recycled concrete aggregates, without requiring carbon credits. The results show that the example plant could be profitable without carbon credits at commercial scales of 100,000 to 1 million tons of carbon dioxide removal per year, so long as it uses low-cost electricity sources and either sells acid or recovers recycled concrete aggregates with about 1 molar acid concentrations, though more research is needed to confirm these results.

hybrid energy↗

Computational toolkit for predicting thickness of 2D materials using machine learning and autogenerated dataset by large language model

The thickness of 2D materials not only plays a crucial role in determining the performance of nanoelectronic and optoelectronic devices but also introduces complexities in predicting volume-dependent properties, such as energy storage capacity, due to the intrinsic vacuum within these materials. Although a plethora of experimental techniques, including but not limited to optical contrast, Raman spectroscopy, nonlinear optical spectroscopy, near-field optical imaging, and hyperspectral imaging, facilitate the measurement of 2D material thickness, comprehensive data for many materials remain elusive. Over the past decade, the exponential proliferation of 2D materials and their heterostructures has outstripped the capabilities of conventional experimental and computational approaches. In this evolving landscape, machine learning (ML) has emerged as an indispensable tool, offering a scalable approach to augment these traditional methodologies. Addressing the critical gap, we introduce THICK2D—Thickness Hierarchy Inference and Calculation Kit for 2D Materials. This Python-based computational framework harnesses an autogenerated thickness database, developed using large language models, and advanced ML algorithms to facilitate the rapid and scalable estimation of material thickness, relying solely on crystallographic data. To demonstrate the utility and robustness of THICK2D, we successfully used the toolkit to predict the thickness of more than 8000 2D-based materials, sourced from two extensive 2D materials databases. THICK2D is disseminated as an open-source utility, accessible on GitHub at https://github.com/gmp007/THICK2D, and archived on Zenodo at https://10.5281/zenodo.11216648.

Ekuma, Chinedu E. (ORCID:0000000258527556)↗

Evaluation of Data Catalog Software for Hanford Site Environmental Datasets

Environmental information and data underpin achievement of the U.S. Department of Energy (DOE) Office of Environmental Management (EM) mission at the Hanford Site. The Hanford Environmental Data Management (HEDM) Program is the DOE Richland Operations Office (RL) approach to develop and implement a formal program for managing environmental data and the associated records, materials, and systems at the Hanford Site. The current project, contract, organization, and contractor-specific efforts at managing environmental data sets are insufficient to provide orderly, long-term, site-wide access. A vital element to be created within the HEDM program plan is a catalog of data sources, called the Hanford Environmental Information and Data Index (HEIDI), that will enable long-term access and retrievability for the multiple independent sources of data that might otherwise be difficult to discover. This report compares leading open source and commercial data catalog platforms using criteria to assess the functionality needed to develop the HEIDI catalog of Hanford data sources that connects and exchanges data with established Hanford Local Area Network (HLAN) enterprise information technology systems. Proprietary platforms evaluated included ArcGIS Enterprise Sites, Junar, OpenDataSoft, and Socrata, and non-proprietary platforms included Energy Data eXchange (EDX), Comprehensive Knowledge Archive Network (CKAN), and DKAN (a Drupal-based open data portal based on CKAN). Capabilities supporting data discoverability, retrieval, and archival, as well as metadata standard requirements and integration into the HLAN were rated as either failing to meet requirements (F), meeting requirements (M), or exceeding requirements by delivering additional desired features (E). The lowest rating for any capability area was assigned as the overall rating for the platform. These findings enable DOE-RL and the contractors implementing the HEDM plan to focus on candidate tools likely to meet the requirements for implementing HEIDI. All of the platforms receiving an overall rating of ‘F’ were unable to be deployed on Hanford infrastructure or within dedicated cloud resources. A propriety software-as-a-service (SaaS) model of delivering a data catalog (e.g., found in software such as Junar and OpenDataSoft) favors consistency across customers at the expense of customization and configurable roles that are needed for Hanford work. Hosting data on a shared commercial platform places limits on dataset size (maximum of 240 Mb for OpenDataSoft), a significant limitation for HEIDI implementation. EDX, a government data catalog based on CKAN, received the ‘F’ rating due to an inability to incorporate authentication from HLAN into the system. Among platforms rated ‘M’ or ‘E’, only the Socrata platform had a SaaS delivery model. In contrast to other SaaS platforms, Socrata provided custom roles and gateways that allow local datasets to be incorporated into an online catalog. Socrata also complies with the Federal Risk and Authorization Management Program, a significant benefit for cloud-based management of Hanford data. The other platforms rated ‘M’ or ‘E’, ArcGIS Enterprise Sites, CKAN, and DKAN, provide fully self-hosted options, allowing for greater control and flexibility with the HEIDI catalog. These widely used tools have supportive communities of practice, extensive customization options, and demonstrated deployments that provide evidence that they can meet requirements, often deliver additional desired features, and work well with federal government systems. Completely customized alternatives built on a collection of applications were not evaluated because achieving similar performance to CKAN or DKAN requires substantial resources, especially in the absence of the active communities that have grown to support these tools. ArcGIS Enterprise Sites, Socrata, CKAN, and DKAN were evaluated as strong candidates for successful implementation with HEIDI.

54 ENVIRONMENTAL SCIENCES↗

The Random Ray Method Versus Multigroup Monte Carlo: The Method of Characteristics in OpenMC and SCONE

The Random Ray Method (TRRM) is a recently developed approach to solving neutral particle transport problems based on the Method of Characteristics. While the method previously has been implemented only in closed-source or limited-functionality codes, this work describes its implementation in two open-source Monte Carlo codes: OpenMC and SCONE. The random ray implementations required small modifications to the existing Multigroup Monte Carlo (MGMC) solvers, offering a rare venue for redundant, fine-grained, "apples-to-apples" speed and accuracy comparisons between transport methods. To this end, TRRM and MGMC solvers are evaluated against each other using each code's native capabilities on reactor eigenvalue problems with different degrees of energy discretization. On the C5G7 benchmark (featuring only seven energy groups), TRRM achieves a maximum pin power error comparable to or lower than that of MGMC for a given run time. On a problem with 69 energy groups, MGMC is found to scale more efficiently, obtaining a lower pin power error for a given run time. However, the defining difference between the two transport methods is found to be their vastly different uncertainty distributions. Specifically, TRRM is found to maintain similar levels of accuracy and uncertainty throughout the simulation domain whereas MGMC can exhibit orders-of-magnitude greater errors in areas of the problem that feature low neutron flux. For instance, TRRM provided an up to 373 times speed advantage compared with MGMC for computing the flux in low-flux regions in the moderator surrounding the C5G7 core.

42 ENGINEERING↗

An Image-Plane Approach to Gravitational Lens Modeling of Interferometric Data

Strong gravitational lensing acts as a cosmic telescope, enabling the study of the high-redshift universe. Astronomical interferometers, such as the Atacama Large Millimeter/submillimeter Array (ALMA), have provided high-resolution images of strongly lensed sources at millimeter and submillimeter wavelengths. To model the mass and light distributions of lensing and source galaxies from strongly lensed images, strong lens modeling for interferometric observations is conventionally performed in the visibility space, which is computationally expensive. In this paper, we implement an image-plane lens modeling methodology for interferometric dirty images by accounting for noise correlations. We show that the image-plane likelihood function produces accurate model values when tested on simulated ALMA observations with an ensemble of noise realizations. We also apply our technique to ALMA observations of two sources selected from the South Pole Telescope survey, comparing our results with previous visibility-based models. Our model results are consistent with previous models for both parametric and pixelated source-plane reconstructions. We implement this methodology for interferometric lens modeling in the open-source software package lenstronomy.

Zhang, Nan [Illinois U., Urbana (main)] (ORCID:000↗

Probabilistic risk-based Area of Review (AoR) determination for a deep-saline carbon storage site

Regulatory oversight of a geologic carbon sequestration (GCS) project relies on iterative estimations, throughout the project lifetime, of the area where increased risks to underground sources of drinking water (USDWs) may occur due to injection of CO2. This area, referred to as Area of Review (AoR), is typically delineated by predicting the migration of fluid between the reservoir and the lowermost USDW via an open wellbore using predictions from physics-based reservoir simulators. The inherent uncertainty in input parameters used in reservoir modeling therefore affects the accuracy of determining the AoR for a project. Furthermore, the standard analytical approaches for calculating a critical pressure to delineate the risk area yield an infinite AoR for cases where the injection reservoir is overpressured relative to the USDW. A methodology is presented in this paper to better characterize the risk to USDWs while accounting for the uncertainty in reservoir modeling, with an application to a permitted GCS project with an overpressured injection formation, FutureGen 2.0. The methodology is demonstrated using the National Risk Assessment Partnership’s open-source integrated assessment model (NRAP-Open-IAM) to develop a probabilistic estimate of impact risk to USDW quality. CO2 and pressure predictions from the reservoir modeling conducted using the STOMP-CO2 simulator for the FutureGen 2.0 site are used in a NRAP-Open-IAM model with reservoir, wellbore, and aquifer components to: (1) assess the extent of potential leakage into the USDW for the predicted reservoir pressure conditions; (2) evaluate the extent of potential impact using “no-net-degradation” thresholds; and (3) account for uncertainty in reservoir permeabilities.

03 NATURAL GAS↗

Status of PyGriffin Development for Integration into the NEAMS Workbench

The integration of Griffin into Workbench, by way of the PyGriffin code package, was initiated by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in FY-2022. PyGriffin was developed as a Python wrapper to Griffin to streamline the complex workflow involving mesh, cross section, and Griffin input generation, code execution, and results postprocessing, by improving user experience with high fidelity neutronics analysis through the Workbench GUI interface. PyGriffin can be used as a standalone application or through the PyARC code suite. FY-2023 saw the continued development of PyGriffin to expand its capabilities including advanced post-processing of simulation results and initial development of the Monte Carlo (MC) cross section generation workflow with the Shift MC code. PyGriffin was also approved for open-source software status in FY-2023, initiating plans to move the code repository into an open location. In addition to PyGriffin development, there were many improvements and developments made in PyARC leading to several software releases (latest version is v2.3.0), but the focus of this report is PyGriffin.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗