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At least 1,603 records · Page 89

Sulfide stress tolerance as a controller of methane production in temperate wetlands

Abstract Wetlands are a major source of methane emissions and contribute to the observed increase in atmospheric methane over the last 20 years. Methane production in wetlands is the final step of carbon decomposition performed by anaerobic archaea. Although hydrogen/carbon dioxide and acetate are the substrates most often attributed to methanogenesis, other substrates—such as methylated compounds—may additionally play important roles in driving methane production in wetland systems. Here we conducted mesocosm experiments combined with genome-resolved metatranscriptomics to investigate the impact of diverse methanogenic substrate amendment on methanogenesis in two high methane-emitting wetlands with distinct geochemistry, termed P7 and P8. Methanol amendment resulted in high methane production at both sites, whereas acetate and formate amendment only stimulated methanogenesis in P7 mesocosms, where aqueous sulfide concentrations were lower. In P7 sediments, formate amendment fueled acetogenic microbes that produced acetate, which was subsequently utilized by acetoclastic methanogens. In contrast to expression profiles in P7 mesocosms, active methylotrophic methanogen genomes from P8 showed increased expression of genes related to membrane remodeling and DNA damage repair, indicative of stress tolerance mechanisms to counter sulfide toxicity. Methylotrophic methanogenesis generates higher free energy yields than acetoclastic methanogenesis, which likely enables allocation of more energy toward stress responses. These findings contribute to the growing body of literature highlighting methylotrophic methanogenesis as an important methane production pathway in wetlands. By using less competitive substrates like methanol that provide greater energy yields, methylotrophic methanogens may invest in physiological strategies that provide competitive advantages across a range of environmental stresses.

Environmental Sciences & Ecology↗

Compensation of heat load deformations using adaptive optics for the ALS upgrade: a wave optics study

In this paper, a realistic wave optics simulation method has been developed to study how wavefront distortions originating from heat load deformations can be corrected using adaptive X-ray optics. Several planned soft X-ray and tender X-ray insertion-device beamlines in the Advanced Light Source upgrade rely on a common design principle. A flat, first mirror intercepts the white beam; vertical focusing is provided by a variable-line-space monochromator; and horizontal focusing comes from a single, pre-figured, adaptive mirror. A variety of scenarios to cope with thermal distortion in the first mirror are studied by finite-element analysis. The degradation of the intensity distribution at the focal plane is analyzed and the adaptive optics that correct it is modeled. The range of correctable wavefront errors across the operating range of the beamlines is reported in terms of mirror curvature and spatial frequencies. The software developed is a one-dimensional wavefront propagation package made available in the OASYS suite, an adaptable, customizable and efficient beamline modeling platform.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A Preliminary Thermal Model of the LHe-based SCAPE Cryostat

The SCAPE (SuperConducting Arbitrarily Polarizing Emitter) undulator is under development at the Advanced Photon Source (APS). This new undulator requires a cryostat that will be designed based on expected heat loads. For instance, the expected heating of the beam chamber by electron beam is estimated to be at a level of 182 W – much higher than in planar SCUs. This and other challenges require careful thermal analysis of the LHe-based SCAPE cryostat. A detailed thermal model of the LHe-based SCAPE cryostat has been created in ANSYS. This paper presents calculated cooling capacity and temperatures of the SCAPE cryostat for the static and dynamic heat loads. Index Terms—SCAPE (SuperConducting Arbitrarily Polarizing Emitter), cryocooler, LHe, thermal isolation, thermal conductance.

Shiroyanagi, Y.↗

Driver Identification Dataset

The ORNL Driver Identification Dataset was created to collect and analyze driving behavior data from 50 different drivers. Each driver operated a 2014 Kenworth T270 Class 6 truck around Fort Collins, Colorado while various data sources recorded their driving behavior and vehicle performance. The dataset includes CANbus (Controller Area Network) data, GPS data, inertial measurement data, and biometric data from a heart rate monitor. A cyberattack was executed during each drive, which caused multiple dashboard warning lights to illuminate and set the tachometer and speedometer to zero, regardless of actual speed. The attack was stopped either after one minute or if the driver pulled over. By downloading the dataset, you agree to the following: 1) I will not use or disclose the data for any purpose other than Research as that term is defined in 10 CFR 745.102. 2) I will not, under any circumstances, request or accept private or linking identifiers for the data used. 3) I will not attempt to determine the identity of the individuals associated with the data. 4) I will use appropriate safeguards to prevent the use or disclose of the data for any purpose other than Research.

99 GENERAL AND MISCELLANEOUS↗

Drivers of Future Physical Water Scarcity and Its Economic Impacts in Latin America and the Caribbean

Future water scarcity is a global concern with significant impacts on the energy, water, and land (EWL) sectors. Countries in Latin America and the Caribbean (LAC) are significant producers of agricultural goods consumed around the world, so disruptions resulting from land and water scarcity in LAC are a source of global supply chain risk. Understanding where water scarcity in LAC could occur and what could drive that scarcity to emerge is critical for strategic resource management and planning, both regionally and globally. Assessing future water scarcity impacts in LAC is challenging given the multisector dynamic interactions among the EWL sectors and the multiple uncertainties acting across different spatial scales. We use scenario discovery to explore the drivers of future water scarcity, considering assumptions related to climate, socioeconomics, and the EWL sectors. Understanding what factors drive uncertainty across outcomes can help stakeholders in targeting long-term solutions and future data collection efforts. To illuminate these dynamics, we use a database consisting of a large ensemble of scenarios representing diverse worlds simulated using the Global Change Analysis Model. We quantify future water scarcity and its economic impacts across the scenarios using three metrics: (1) physical water scarcity, (2) water price, and (3) crop profit. We find that physical water scarcity and water price are driven primarily by reservoir storage capacity assumptions, highlighting the importance of strategic water infrastructure development in maintaining future water availability and accessibility. Crop profit is driven by a combination of water supply and demand assumptions, which emphasizes the complex nature of EWL multisector dynamics. While most of LAC is poised to have abundant land and water resources available for development, water basins in Mexico and along the Pacific coast of South America experience high levels of severity and uncertainty across the future scenarios for at least one of the metrics. We find that the drivers of extreme scarcity vary spatially and across the metrics, further highlighting the heterogeneity of the region and the importance of considering multiple metrics to assess water scarcity vulnerability.

54 ENVIRONMENTAL SCIENCES↗

Autonomous elemental characterization enabled by a low cost robotic platform built upon a generalized software architecture

Despite the rapidly growing applications of robots in industry, the use of robots to automate tasks in scientific laboratories is less prolific due to the lack of generalized methodologies and the high cost of hardware. This paper focuses on the automation of characterization tasks necessary for reducing cost while maintaining generalization and proposes a software architecture for building robotic systems in scientific laboratory environments. A dual-layer (Socket.IO and ROS) action server design is the basic building block, which facilitates the implementation of a web-based front end for user-friendly operation and the use of ROS Behavior Trees for convenient task planning and execution. A robotic platform for automating mineral and material sample characterization is built upon the architecture, with an open-source, low-cost three-axis computer numerical control gantry system serving as the main robot. A handheld laser induced breakdown spectroscopy (LIBS) analyzer is integrated with a 3D printed adapter, enabling (1) automated 2D chemical mapping and (2) autonomous sample measurement (with the support of an RGB-Depth camera). We demonstrate the utility of automated chemical mapping by scanning the surface of a spodumene-bearing pegmatite core sample with a 1071-point dense hyperspectral map acquired at a rate of 1520 bits per second. Furthermore, we showcase the autonomy of the platform in terms of perception, dynamic decision-making, and execution, through a case study of LIBS measurement of multiple mineral samples. The platform enables controlled and autonomous chemical quantification in the laboratory that complements field-based measurements acquired with the same handheld device, linking resource exploration and processing steps in the supply chain for lithium-based battery materials.

Cao, Xuan [Lawrence Berkeley National Laboratory (↗

Fidelity Comparison of Time-Bin and Fock State Encoding in Hybrid Quantum Systems Under Channel and Transduction Effects

Future quantum networks are expected to integrate a heterogeneous combination of quantum systems, owing to the diverse advantages offered by different physical platforms in terms of scalability, coherence times, and interfacing capabilities. Within the context of this emerging quantum communication paradigm, this paper presents an analytical comparison of two photonic encoding schemes—time-bin and Fock state (single rail)—in hybrid quantum systems where flying qubits are entangled with stationary matter qubits. We evaluate their resilience against fiber channel and quantum transduction effects by calculating the fidelity of the final states relative to their ideal forms. Employing the characteristic function approach, we derive analytical fidelity expressions and investigate their dependence on parameters such as transmissivity, noise levels, fiber length, and source generation success probability. Additionally, we simulate the scenario with a dedicated QuTiP software implementation to verify the validity of the theoretical models. Our findings reveal that due to its inherent single-mode structure, the Fock state encoding consistently outperforms time-bin encoding in fidelity, as this structure significantly minimizes susceptibility to losses compared to the two-mode nature of the time-bin scheme. This analysis offers valuable insights for future hybrid quantum communication and information processing applications.

Fiorini, Francesco [Pisa U.]↗

Bandwidth extension and conversion efficiency improvements beyond phase matching limitations using cavity-enhanced OPCPA

The conversion efficiency and phase matching bandwidth of ultrafast optical parametric amplification (OPA) are constrained by the dispersion and nonlinear coefficient of the employed crystal as well as pulse shaping effects. In our work we show that an enhancement cavity resonant with the pump seeded at the full repetition rate of the pump laser can automatically reshape the small-signal gain in optical parametric chirped-pulse amplification (OPCPA) to achieve close-to-optimal operation. This new method termed cavity-enhanced OPCPA or C-OPCPA significantly increases both the gain bandwidth and the conversion efficiency, in addition to boosting gain for high-repetition-rate amplification. The goal in C-OPCPA is to arrive at a condition of impedance matching at all temporal coordinates, such that, in the absence of linear losses, all the incident pump power is dissipated in the nonlinear loss element, i.e., converted to signal and idler. The use of a low finesse enhancement cavity resonant with a low average power (<1W) and a high repetition rate (78MHz) pump source is shown to achieve more than 50% conversion efficiency into signal and idler from the coupled pump in an optical parametric process, whereas an equivalent amount of pump power in a single-pass configuration leads to negligible conversion. Additionally, the gain bandwidth is extended by a factor of 3-4 beyond the phase-matching limit. Our empirical observations are corroborated by a numerical analysis of depletion optimizing the single-pass case, which assesses the underlying impedance matching that is responsible for the observed performance improvements.

47 OTHER INSTRUMENTATION↗

Model data for Flood Frequency Analysis using Stochastic Storm Transposition and an Integrated Surface-Subsurface Hydrological Model

This archived provides scripts and input files used for the implementation of a novel approach to conduct process-based Flood Frequency Analysis using a Stochastic Storm Transposition (SST) and an Integrated Surface-Subsurface Hydrological Model (ISSHM). As a proof-of-concept, this study uses the ISSHM, Advanced Terrestrial Simulator (Amanzi-ATS) model, and the SST model, RainyDay, to conduct flood frequency analysis by simulating the flood response to 5,000 annual synthetic storm events in a ~2000 km2 Southeast Texas watershed.The Watershed Workflow package is implemented in Python3. The Jupyter notebooks can be executed through multiple open-source tools, for example, Anaconda Jupyter Lab, VS Studio Code, etc. Other data files include TXT, CSV, DAT, SBATCH, SHP, TIF, NetCDF, and HDF5 files, which can be read through Python scripts. The input files for the ATS model and RainyDay model have .XML and .SST extensions, respectively, and can be edited in any commonly used text editors.This archive contains:* Scripts and data files essential for generating the ATS model input. It uses the Watershed Workflow package to produce both mesh and ATS input files. * Jupyter notebooks designated for the ATS model evaluation, covering both long-term simulations and 40 rainfall-runoff events.* Input files required to simulate SST storm events using RainyDay.

54 ENVIRONMENTAL SCIENCES↗

The Low-Yield Nuclear Monitoring (LYNM) Experimental Science Plan

The Low-Yield Nuclear Monitoring (LYNM) Program is a long-term NNSA research and development effort designed to improve the United States’ explosion monitoring capabilities, particularly with respect to low-yield and potentially evasive underground nuclear testing. The LYNM Program focuses on researching, discovering, and exploiting unique and useful signatures, from all available technologies and sensors (e.g., seismic, acoustic, electromagnetic, gases, and particulates (both stable and radioactive)). Four Department of Energy laboratories participate in LYNM and together are referred to as the ‘quad-lab’. The R&D program execution is performed under NNSA defined structures known as “ventures”. Four science ventures were established: 1) Explosion Source Functions; 2) Containment of Low-Yield Underground Tests; 3) Local Signatures; 4) Dynamic Monitoring Networks. To organize and execute the large field scale experiment a fifth venture was established: 5) Physics Experiment One (PE-1). As part of the LYNM Program, a series of experiments are planned at various scales and levels of venture involvement. These vary from those that involve a subset of labs and/or LYNM ventures (e.g., small experiments), to full quad-lab LYNM Program field-scale integrated experiments. Such experiments may involve chemical explosions with tracer materials or other means of simulating the expected signals from a nuclear explosion. The LYNM Program does not conduct actual nuclear explosions. Since 1992, the U.S. has observed a moratorium on underground nuclear explosions. This document is intended to provide the underlying scientific basis for the LYNM planned experimental work. Each specific LYNM experiment will develop a goals, objectives, and requirements (GOR) plan following the guidance in this document. The LYNM technical staff will define the numbers and types of experiments required over the course of the Program based on technical needs and within funding constraints. As with any scientific experiment series, the number and types of experiments may change based upon the experimental results obtained. An experiment that agrees with models/codes/software signature predictions may need fewer repetitions/variations, depending upon the level of statistical rigor desired, as compared to one in which the predictions and experimental data do not match. The large LYNM field-scale integrated experiments require the longest lead-time for planning, and these are discussed in more detail near the end of this document.

58 GEOSCIENCES↗

Impact analysis of heating electrification in US buildings with geothermal heat pumps

Few studies have investigated the impacts of large-scale deployment of geothermal heat pumps (GHPs, also called ground source heat pumps) on the electric grid. GHPs utilize the ground as a heat source to warm buildings more efficiently than other space-heating systems. The coupling with the ground offers seasonal thermal storage so that GHPs can also cool buildings in summer more efficiently than other space-cooling systems. This study simulated the performance of GHP systems for various commercial and residential buildings in 15 climate zones in the United States. Combined with the latest End-Use Load Profiles of the US building stock and grid modeling, this study aims to assess the impacts of a national deployment of GHP systems on the US electric grid in terms of energy consumption, emissions, and operational resilience. The preliminary results show that the GHP deployment can save 429 billion kWh of electricity (a 19% reduction from baseline) and reduce carbon emissions by 496 million tons per year (a 31 % reduction from baseline). A geographical view of the results indicates that retrofitting existing HVAC systems with new GHP systems can lead to further reductions in annual electricity consumption and peak electricity demand in the southern regions of the United States than in other parts of the country. On the other hand, GHP retrofits result in higher percentages of site energy savings and carbon emission reduction in the north (cold climates) than in the south (warm climates).

Liu, Xiaobing↗

Using Energy Storage-Based Grid Forming Inverters for Operational Reserve in Hybrid Diesel Microgrids

In remote arctic communities, where access to a bulk electrical grid interconnection is not available, the implementation of islanded microgrids has been the most viable way to produce and distribute electricity services to their inhabitants. Historically, these islanded grids have relied primarily on diesel generators or hydropower resources to supply the baseload. However, this practice can result in increased expense due to the high costs associated with fuel transportation and the significant amounts of on-site storage necessary when fuel transportation is unavailable during winter months. In order to mitigate this problem, arctic microgrids have started to transition to a hybrid-source operational mode by incorporating renewable energy sources that are inherently variable in nature, such as wind or solar. Due to their highly stochastic behavior, these hybrid-source islanded microgrids can pose potential issues related to power quality due to introduction of rapid net load fluctuations and inability of diesel generators to respond rapidly. In addition, non-firm stochastic sources can require significant idling diesel generator resources to serve as spinning reserves, which is inefficient and wasteful. This work studies the problems that may arise in the transient dynamics of a real-world hybrid diesel microgrid when subjected to a loss of wind generation. Moreover, this work proposes a transition from a diesel spinning reserve to a battery energy-storage system (BESS) operating reserve scheme. The study of the proposed transition is important in establishing the fundamental implication of transient dynamics and the potential benefits of integrating a BESS as a spinning reserve in terms of stability, frequency nadir, and transient voltage deviation. The methods to investigate and validate the transient dynamics relied on both electromagnetic simulation models of GFMIs and a commercially available GFMI in an experimental power hardware-in-the-loop setup. The simulation results showed that the proposed operating reserve scheme improves the power quality of the system in terms of voltage deviation and frequency nadir when the microgrid is subjected to a loss of wind generation scenario. Depending on the simulation cases, adding a GFMI reduced the frequency nadir between 65.3% and 86.7%. Moreover, the reductions in the voltage deviations improved between 3.6% and 23.0%. From these results it can be concluded that the integration of a GFMI can reduce the frequency nadir in a hybrid diesel microgrid, and in turn, reduce diesel consumption, which improves system reliability while reducing fuel expenses. Furthermore, the novelty of this work relies on the fact that the offline simulation results were validated using a power hardware-in-the-loop platform that incorporated a 100 kVA commercially available GFMI as the device under test.

Hernandez-Alvidrez, Javier↗

Enhanced terrestrial Fe(II) mobilization identified through a novel mechanism of microbially driven cave formation in Fe(III)-rich rocks

Most cave formation requires mass separation from a host rock in a process that operates outward from permeable pathways to create the cave void. Given the poor solubility of Fe(III) phases, such processes are insufficient to account for the significant iron formation caves (IFCs) seen in Brazilian banded iron formations (BIF) and associated rock. Here in this study we demonstrate that microbially-mediated reductive Fe(III) dissolution is solubilizing the poorly soluble Fe(III) phases to soluble Fe(II) in the anoxic zone behind cave walls. The resultant Fe(III)-depleted material (termed sub muros) is unable to maintain the structural integrity of the walls and repeated rounds of wall collapse lead to formation of the cave void in an active, measurable process. This mechanism may move significant quantities of Fe(II) into ground water and may help to explain the mechanism of BIF dissolution and REE enrichment in the generation of canga. The role of Fe(III) reducing microorganism and mass separation behind the walls (outward-in, rather than inward-out) is not only a novel mechanism of speleogenesis, but it also may identify a previously overlooked source of continental Fe that may have contributed to Archaean BIF formation.

54 ENVIRONMENTAL SCIENCES↗

Signatures of linearized gravity in atom interferometers: A simplified computational framework

We develop a general framework for calculating the leading-order, general relativistic contributions to the gravitational phase shift in single-photon atom interferometers within the context of linearized gravity. We show that the atom gradiometer observable, which only depends on the atom interferometer propagation phase, can be written in terms of three distinct contributions: the Doppler phase shift, which accounts for the tidal displacement of atoms along the baseline, the Shapiro phase shift, which accounts for the delay in the arrival time of photons at atom-light interaction points, and the Einstein phase shift, which accounts for the gravitational redshift measured by the atoms. For specific atom gradiometer configurations, we derive the signal and response functions for two physically motivated scenarios: (i) transient gravitational waves in the transverse-traceless gauge and, for the first time, in the proper detector frame, and (ii) transient massive objects sourcing weak and slow-varying Newtonian potentials. Here, we find that the Doppler contribution of realistic Newtonian noise sources (e.g., a freight truck or a piece of space debris) at proposed atom gradiometer experiments, such as AION, MAGIS, and AEDGE, can exceed the shot noise level and thus affect physics searches if not properly subtracted. Note: 44 pages including appendices, 4 figures; v2: different formatting, fixed typos, 28 pages including appendices, 5 figures, agrees with published version

Atom interferometry↗

Sensitive Resources Assessment and Forest Analysis for The SSP-2A Parcel and Proposed Oak Ridge Enhanced Technology and Training Center (ORETTC), Oak Ridge, Tennessee

This report summarizes current knowledge of natural and cultural resources associated with potential land use changes within an 81-acre (32.8-hectare) parcel, termed SSP-2A, on the US Department of Energy’s (DOE’s) Oak Ridge Reservation (ORR) in Oak Ridge, Tennessee (Figure 1). A primary goal for the work presented here was to evaluate potential impacts to sensitive resources within the SSP-2A parcel that might result from land disturbance and construction of the Oak Ridge Enhanced Technology and Training Center (ORETTC). In addition to on-the-ground surveys of the ORETTC footprint and SSP-2A parcel during summer 2020 (Figure 1), this report leverages historical (pre-1995) and contemporary (1995–present) data from additional sources such as the Tennessee Department of Environment and Conservation (TDEC). The individuals who obtained and compiled the data that are presented here are familiar with and routinely assess, manage, and research sensitive resources on the ORR. This report should facilitate more environmentally sound decisions during planning and development of the ORETTC, provide a foundation for further assessment of sensitive and cultural resources associated with the broader SSP-2A parcel (should additional actions take place), and help project managers address regulatory guidance and DOE policy on sustainable development. Those who reference this report must consider that the timing of surveys does not permit complete delineation of resources. Data deficiencies are indicated where possible. Additional surveys may be required to account for seasonal patterns of various threatened and endangered species (e.g., bats), and additional assessment will be required if activities extend beyond the ORETTC site (Figure 2).

54 ENVIRONMENTAL SCIENCES↗

Development of the IES Plug-and-Play Framework

This report discusses the status of the flexible plug-and-play framework development currently ongoing that aims to integrate Modelica/Dymola with the Risk Analysis and Virtual ENvironment (RAVEN) software in terms of both Functional Mock-Up Interface (FMI)/Functional Mock-Up Unit (FMU) construction and repository structures that aim to ease the sharing and simulation of complex dynamic models. This report aims to provide an overview of all the performed activities resolving around the deployment of methods, software infrastructures, guidelines and workflow for the construction and usage of models, encapsulated using the FMI/FMU protocols and standards. In particular, the report is organized in three main macro-subjects, which are connected to each other: - FMI/FMU adaptors for modelica models - HYBRID repository new structure and open-source deployment - RAVEN FMI/FMU exporting capabilities and Artificial Intelligence (AI)-based analysis acceleration. The first part of the report discusses the FMI/FMU adaptors that have been created within the HYBRID repository to allow users to quickly export models, such as FMUs. Several examples are shown that highlight the step-by-step process of converting an existing Modelica model into an FMU for use within the Dymola platform. Simulation results demonstrate that, while minor differences may occur, the overall control, trends, and solution integrity are maintained between standard Modelica simulation and FMU simulation results. However, it is worth noting that, for small systems, the FMU results have a slower simulation time than the Modelica only simulation. Using this process, a company can provide models that contain proprietary information to entities without disclosing any of the information about the model that could be considered business sensitive. Such an ability would allow institutions to bypass the necessity of “whitewashing” data. In the second part of the report, the new structure of the HYBRID repository is discussed with a major focus on the series of updates that has been completed. These updates include the addition of Modelica system-level regression tests and software quality assurance documentation that ensure that modifications to the Modelica models do not alter system-level model results. The third and final part of the report aims to report the work that has been performed for the deployment of methods and workflows for the construction of RAVEN AI-based models compliant with the FMI/FMU standard. Such development represents the key for the deployment of the concept of “Flexible ecosystem” since it allows for the replacement of high-fidelity modelica models (or any other FMI/FMU compliant model) with RAVEN generated AI surrogate models. Overall, extensive work has been completed on developing FMUs and FMIs from existing models, understanding the requirements and limitations of FMUs, and open-sourcing the HYBRID repository with an integrated regression system.

42 ENGINEERING↗

Development of the IES Plug-and-Play Framework

This report discusses the status of the flexible plug-and-play framework development currently ongoing that aims to integrate Modelica/Dymola with the Risk Analysis and Virtual ENvironment (RAVEN) software in terms of both Functional Mock-Up Interface (FMI)/Functional Mock-Up Unit (FMU) construction and repository structures that aim to ease the sharing and simulation of complex dynamic models. This report aims to provide an overview of all the performed activities resolving around the deployment of methods, software infrastructures, guidelines and workflow for the construction and usage of models, encapsulated using the FMI/FMU protocols and standards. In particular, the report is organized in three main macro-subjects, which are connected to each other: - FMI/FMU adaptors for modelica models - HYBRID repository new structure and open-source deployment - RAVEN FMI/FMU exporting capabilities and Artificial Intelligence (AI)-based analysis acceleration. The first part of the report discusses the FMI/FMU adaptors that have been created within the HYBRID repository to allow users to quickly export models, such as FMUs. Several examples are shown that highlight the step-by-step process of converting an existing Modelica model into an FMU for use within the Dymola platform. Simulation results demonstrate that, while minor differences may occur, the overall control, trends, and solution integrity are maintained between standard Modelica simulation and FMU simulation results. However, it is worth noting that, for small systems, the FMU results have a slower simulation time than the Modelica only simulation. Using this process, a company can provide models that contain proprietary information to entities without disclosing any of the information about the model that could be considered business sensitive. Such an ability would allow institutions to bypass the necessity of “whitewashing” data. In the second part of the report, the new structure of the HYBRID repository is discussed with a major focus on the series of updates that has been completed. These updates include the addition of Modelica system-level regression tests and software quality assurance documentation that ensure that modifications to the Modelica models do not alter system-level model results. The third and final part of the report aims to report the work that has been performed for the deployment of methods and workflows for the construction of RAVEN AI-based models compliant with the FMI/FMU standard. Such development represents the key for the deployment of the concept of “Flexible ecosystem” since it allows for the replacement of high-fidelity modelica models (or any other FMI/FMU compliant model) with RAVEN generated AI surrogate models. Overall, extensive work has been completed on developing FMUs and FMIs from existing models, understanding the requirements and limitations of FMUs, and open-sourcing the HYBRID repository with an integrated regression system.

14 SOLAR ENERGY↗

An integrated experimental–modeling approach to identify key processes for carbon mineralization in fractured mafic and ultramafic rocks

Abstract Controlling atmospheric warming requires immediate reduction of carbon dioxide (CO2) emissions, as well as the active removal and sequestration of CO2 from current point sources. One promising proposed strategy to reduce atmospheric CO2 levels is geologic carbon sequestration (GCS), where CO2 is injected into the subsurface and reacts with the formation to precipitate carbonate minerals. Rapid mineralization has recently been reported for field tests in mafic and ultramafic rocks. However, unlike saline aquifers and depleted oil and gas reservoirs historically considered for GCS, these formations can have extremely low porosities and permeabilities, limiting storage volumes and reactive mineral surfaces to the preexisting fracture network. As a result, coupling between geochemical interactions and the fracture network evolution is a critical component of long-term, sustainable carbon storage. In this paper, we summarize recent advances in integrating experimental and modeling approaches to determine the first-order processes for carbon mineralization in a fractured mafic/ultramafic rock system. We observe the critical role of fracture aperture, flow, and surface characteristics in controlling the quantity, identity, and morphology of secondary precipitates and present where the influence of these factors can be reflected in newly developed thermo-hydro-mechanical–chemical models. Our findings provide a roadmap for future work on carbon mineralization, as we present the most important system components and key challenges that we are overcoming to enable GCS in mafic and ultramafic rocks.

58 GEOSCIENCES↗