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At least 343 records · Page 19

Continental United States may lose 1.8 petagrams of soil organic carbon under climate change by 2100

Abstract Aims High‐resolution information on soils’ vulnerability to climate‐induced soil organic carbon (SOC) loss can enable environmental scientists, land managers, and policy makers to develop targeted mitigation strategies. This study aims to estimate baseline and decadal changes in continental US surface SOC stocks under future emission scenarios. Location Continental United States. Time period 2014–2100. Methods We used recent SOC field observations ( n = 6,213 sites), environmental factors ( n = 32), and an ensemble machine learning (ML) approach to estimate baseline SOC stocks in surface soils across the continental United States at 100‐m spatial resolution, and decadal changes under the projected climate scenarios of Coupled Model Intercomparison Project Phase Six (CMIP6) earth system models (ESMs). Results Baseline SOC projections from ML approaches captured more than 50% of variability in SOC observations, whereas ESMs represented only 6–16% of observed SOC variability. ML estimates showed a mean total loss of 1.8 Pg C from US surface soils under the high‐emission scenario by 2100, whereas ESMs showed no significant change in SOC stocks with wide variation among ESMs. Both ML and ESM predictions agree on the direction of SOC change (net emissions or sequestration) across 46–51% of continental US land area. These differences are attributable to the high‐resolution site‐specific data used in the ML models compared to the relatively coarse grid represented in CMIP6 ESMs. Main conclusions Our high‐resolution estimates of baseline SOC stocks, identification of key environmental controllers, and projection of SOC changes from US land cover types under future climate scenarios suggest the need for high‐resolution simulations of SOC in ESMs to represent the heterogeneity of SOC. We found that the SOC change is sensitive to key soil related factors (e.g. soil drainage and soil order) that have not been historically considered as input parameters in ESMs, because currently more than 95% variability in the SOC of CMIP6 ESMs is controlled by net primary productivity, temperature, and precipitation. Using additional environmental factors to estimate the baseline SOC stocks and predict the future trajectory of SOC change can provide more accurate results.

54 ENVIRONMENTAL SCIENCES↗

Warthog: A MOOSE-Based Application for the Direct Code Coupling of BISON and PROTEUS

The Nuclear Energy Advanced Modeling and Simulation (NEAMS) program from the Department of Energy's Office of Nuclear Energy provides a robust toolkit for the modeling and simulation of current and future advanced nuclear reactor designs. This toolkit provides these technologies organized across product lines: two divisions targeted at fuels and end-to-end reactor modeling, and a third for integration, coupling, and high-level workflow management. The Fuels Product Line and the Reactor Product line provide advanced computational technologies that serve each respective field well, however, their current lack of integration presents a major impediment to future improvements of simulation solution fidelity. There is a desire for the capability to mix and match tools across Product Lines in an effort to utilize the best from both to improve NEAMS modeling and simulation technologies. This report details a new effort to provide this Product Line interoperability through the development of a new application called Warthog. This application couples the BISON Fuel Performance application from the Fuels Product Line and the PROTEUS Core Neutronics application from the Reactors Product Line in an effort to utilize the best from all parts of the NEAMS toolkit and improve overall solution fidelity of nuclear fuel simulations. To achieve this, Warthog leverages as much prior work from the NEAMS program as possible, and in doing so, enables interoperability between the disparate MOOSE and SHARP frameworks, and the libMesh and MOAB mesh data formats. This report describes this work in full. We begin with a detailed look at the individual NEAMS framework technologies used and developed in the various Product Lines, and the current status of their interoperability. We then introduce the Warthog application: its overall architecture and the ways it leverages the best existing tools from across the NEAMS toolkit to enable BISON-PROTEUS integration. Furthermore, we show how Warthog leverages a tool known as DataTransferKit to seamlessly enable the transfer for solution data between disparate frameworks and mesh formats. To end, we demonstrate tests for the direct software coupling of BISON and PROTEUS using Warthog, and discuss current impediments and solutions to the construction of physically realistic input models for this coupled BISON-PROTEUS system.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Scaling Input Distributions for Probabilistic Models - 19472

It is important to address scaling issues when building models to support risk-based decisions for radioactive waste disposal sites. Currently, probabilistic risk assessment and probabilistic performance assessment models are run for multiple realizations where each realization uses one value from each input distribution over the entire modeled time. The input distributions represent the current state of knowledge in the mean of the input variable over the spatial region of interest and over the time period of the model run. This paper focuses on the time factor in input distribution scaling because it presents more serious conceptual and distributional challenges than the spatial factor. One of the challenges in temporal scaling is the effect of non-linearity on propagation of distribution uncertainty through to uncertainty in results. Radioactive waste disposal models tend to have both linear and non-linear components in their models. Dose assessment calculations are typically represented by linear models, while contaminant transport models have linear and non-linear components. In principle, temporal scaling of input parameter distributions for a linear model is straightforward, but scaling of input distributions for non-linear models is not. This paper uses examples to investigate the effects of input distribution temporal scaling on simple linear and non-linear models. Different scaling scenarios were investigated by comparing three analysis tools: analytical mathematical representations, statistical software programming, and GoldSim Monte Carlo simulation software. R statistical software is an open source statistical programming language often used for statistical analyses and graphical representation of data. GoldSim is a robust probabilistic dynamic modeling platform used in performance assessment modeling of radioactive waste sites. A simple linear model, a quadratic model and a multiplicative model were the cases explored for each of these tools. For the three analysis tools considered and with each of the scaling cases, 1,000 realizations were implemented from distributions of the random variables of interest. This is a sufficient number of realizations for simple models to capture the model space. An annual temporal resolution of a 100-year simulation period was chosen for all models and analysis tools. The effects of temporal scaling were demonstrated by investigating two different options for time scaling. Option 1 was set up so that the input distributions represented the expected value on an annual time scale, and a new value from that distribution was chosen every year (at every time step which equaled a year) for 100 years. In Option 2, the input distributions were scaled to represent the expected mean value of the input variable over the 100 years of simulation, and one value from that distribution was chosen for the entire elapsed time. Results show agreement across the three analysis tools. As expected, the linear models have identical results for the two different scaling Options, and the non-linear models diverge in the results for different time scale implementation. The implications of this work point to the need for careful consideration of input distribution temporal scaling. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A Python Package for Fuel Cycle and Waste Management Analysis - 19545

The future of nuclear power utilization in the United States may involve a transition from the once-through light water reactor fuel cycle to a so-called advanced fuel cycle. An advanced fuel cycle may offer improvements in natural resource utilization, reactor safety, and environmental impact. In addition, adoption of an advanced fuel cycle will result in changes in the amount, composition, and disposal of the nuclear wastes they produce. Characteristics intrinsic to the wastes themselves, such as mass and radioactivity at specific times, were used as waste management metrics in the Department of Energy 2014 Fuel Cycle Evaluation and Screening (FCES) study. Binning of these metrics informed fuel cycle according to relative potential benefit. However, waste properties alone cannot qualify management strategy. Therefore, comparing fuel cycles from the perspective of waste management can provide additional insights. To that end, an object-oriented Python package has been developed to perform fuel cycle waste management calculations. The package, named nwpy (short for Nuclear Waste analysis in Python), mimics the mass flow operations reported in the FCES study and interfaces with the ORIGEN-S code to assess metric data as reported in the FCES. In addition, this Python package determines the loading of waste streams into forms suitable for final disposal in a geological repository and uses such data for repository performance assessment. This work describes the Python package methodology, assumptions, and capabilities. As input data, the package requires information about the fuel cycle such as the mass of fuel discharged, the cooling time between reactor discharge and subsequent operations, and the separations process efficiencies and waste forms it produces. In addition, the isotopic composition of the reactor discharge stream, such as that available from the FCES database, is required. With that, it can perform prescribed mass flow and decay operations throughout the back end of the fuel cycle, the latter carried out by the ORIGEN-S code distributed with the SCALE6.2 software suite. The result is time-dependent data characterizing the waste on a per-package basis. Package loading for waste streams depends on the stream form (i.e. UNF vs. HLW, or glass HLW from aqueous reprocessing vs. ceramic HLW from electrochemical processing) and is based on literature review and engineering assumption. As an example of the application of the code, calculations for the areal footprint of direct-contact repositories for different fuel cycles is shown. Development is ongoing, and the package is expected to grow incorporating capabilities for waste management analyses such as waste transportation and radionuclide transport through the biosphere. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Development of Waste Inventory for Probabilistic Performance Assessment Modeling - 19361

Estimation of radioactive waste inventory is a key initial step in the development of an environmental fate and transport model for performance assessment (PA) of radioactive waste sites. PA model output is often sensitive to parameters that represent inventory as a source term, yet estimation is a difficult problem. Inventory estimation for a probabilistic performance assessment (PPA) is related to, but distinct from, that performed for waste excavation, characterization, and offsite disposal. The latter appropriately focuses on obtaining the most detailed information possible on specific hazards and locations; however, these questions cannot be fully answered without intrusive site characterization efforts. This type of characterization is often not feasible when assembling information regarding a source term in a PPA model. Development of waste inventory for a PPA is one piece of a larger hierarchical model. The physical process model represented by Goldsim computer code represents one level of the hierarchy, and the second level of the hierarchy involves estimation of inputs such as inventory, transport, and risk parameters. The estimation of inputs is not a straightforward problem. The parameters of a computer model often do not have an equivalence to the physical quantities they describe, and estimation of the physical quantities themselves can be difficult due to limitations of available information. Inventory information for the West Valley Site in upstate New York is based on data from historical shipping and disposal forms. In the 1990's, the West Valley Demonstration Project (WVDP) compiled information from existing databases and historical waste records into one complete modern database. A conceptual model was then applied and used with recorded information to characterize the waste mass and radionuclide composition for each waste burial. Information was ultimately aggregated over all waste records to estimate the mass of each radionuclide within each trench, hole, or caisson. Three decades later, we revisit the master database, make updates with newly-identified information, and incorporate the conceptual model previously used for inventory estimation in the hierarchical modeling framework. We characterize uncertainty using probability distributions for waste mass and radionuclide composition at the individual shipment or individual burial level. Uncertainty incorporated at the lowest level of the hierarchy is ultimately carried through to uncertainty in PPA model endpoints. Sensitivity analysis of early model results is then applied to identify influential inputs and guide subsequent efforts towards parameters that drive risk. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Building a Credible and Updated WIPP Performance Assessment - New Knowledge Versus Conservative Assumptions and FEP Analysis, A Balancing Act - 16299

Conservative assumptions are important components in conceptual model development where limited data is available. And, as appropriate, during the early 1990's Department of Energy (DOE) adopted many conservative assumptions in the development of the Waste Isolation Pilot Plant's (WIPP's) 24 Conceptual Models incorporated in DOE's 1996 Compliance Certification Application (CCA) performance assessment (PA). Many of these assumptions were formulated and documented in the WIPP relevant features, events and processes (FEPs) analyses; others were adopted when developing input parameter values and their distributions that were used as inputs to computer models. The Agency accepted these conservative assumptions during their 1996 CCA assessment for several reasons; 1) at the time there was a scarcity of data related to long-term behavior of many parameters needed to be incorporated in the PA, 2) sensitivity studies performed during this time period determined that the affected 'conservative' assumptions adopted for some parameters had minimal to no impact on repository performance; and, 3) DOE could demonstrate compliance with EPA's radioactive waste disposal regulations while adopting conservative assumptions and data. Since the initial 1996 CCA DOE has modified the repository panel closure design, and the repository footprint in the experimental areas has expanded. These modifications were incorporated into DOE's 2014 Compliance Re-certification Application for WIPP. Additionally, there have been numerous investigations related to both the short- and long-term behavior of salt in a repository setting. As a result, the Agency is reassessing the use of these conservative assumptions and the continued applicability of the original FEP analyses, primarily developed during DOE's 1996 PA and carried forward to the current re-certification. This paper examines some of these analyses. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Four dimensional magnetic resonance imaging with retrospective k-space reordering: A feasibility study

Purpose: Current four dimensional magnetic resonance imaging (4D-MRI) techniques lack sufficient temporal/spatial resolution and consistent tumor contrast. To overcome these limitations, this study presents the development and initial evaluation of a new strategy for 4D-MRI which is based on retrospective k-space reordering. Methods: We simulated a k-space reordered 4D-MRI on a 4D digital extended cardiac-torso (XCAT) human phantom. A 2D echo planar imaging MRI sequence [frame rate (F) = 0.448 Hz; image resolution (R) = 256 × 256; number of k-space segments (N{sub KS}) = 4] with sequential image acquisition mode was assumed for the simulation. Image quality of the simulated “4D-MRI” acquired from the XCAT phantom was qualitatively evaluated, and tumor motion trajectories were compared to input signals. In particular, mean absolute amplitude differences (D) and cross correlation coefficients (CC) were calculated. Furthermore, to evaluate the data sufficient condition for the new 4D-MRI technique, a comprehensive simulation study was performed using 30 cancer patients’ respiratory profiles to study the relationships between data completeness (C{sub p}) and a number of impacting factors: the number of repeated scans (N{sub R}), number of slices (N{sub S}), number of respiratory phase bins (N{sub P}), N{sub KS}, F, R, and initial respiratory phase at image acquisition (P{sub 0}). As a proof-of-concept, we implemented the proposed k-space reordering 4D-MRI technique on a T2-weighted fast spin echo MR sequence and tested it on a healthy volunteer. Results: The simulated 4D-MRI acquired from the XCAT phantom matched closely to the original XCAT images. Tumor motion trajectories measured from the simulated 4D-MRI matched well with input signals (D = 0.83 and 0.83 mm, and CC = 0.998 and 0.992 in superior–inferior and anterior–posterior directions, respectively). The relationship between C{sub p} and N{sub R} was found best represented by an exponential function (C{sub P}=100(1−e{sup −0.18N{sub R}}), when N{sub S} = 30, N{sub P} = 6). At a C{sub P} value of 95%, the relative error in tumor volume was 0.66%, indicating that N{sub R} at a C{sub P} value of 95% (N{sub R,95%}) is sufficient. It was found that N{sub R,95%} is approximately linearly proportional to N{sub P} (r = 0.99), and nearly independent of all other factors. The 4D-MRI images of the healthy volunteer clearly demonstrated respiratory motion in the diaphragm region with minimal motion induced noise or aliasing. Conclusions: It is feasible to generate respiratory correlated 4D-MRI by retrospectively reordering k-space based on respiratory phase. This new technology may lead to the next generation 4D-MRI with high spatiotemporal resolution and optimal tumor contrast, holding great promises to improve the motion management in radiotherapy of mobile cancers.

60 APPLIED LIFE SCIENCES↗

Characterization of accumulated nuclear fuel in South Korea with scenario

In this work, the AMORES Program which automatically prepares ORIGEN-S inputs, executes ORIGEN-S, and edits ORIGEN-S outputs based on the spent nuclear fuel (SNF) data and scenario on the nuclear power plant construction was introduced and applied to analyze the inventories, heat generations, radioactivities, and radio-toxicities of the SNFs generated in South Korea with realistic SNF data up to 2015 and three scenarios on the future NPP construction and operation from 2016 to 2035 or 2053. The scenario study for PWR shows that the scenario considering the most cancellations of the future NPPs shows 12.7%, 24.1%, 25.3%, and 15.7% reductions of the spent nuclear fuel inventories, radioactivities, thermal heat generations, and the radio toxicities, respectively at 2035, in comparison with the most optimistic scenario of NPPs construction. Also, the nuclide-wise decomposition was performed to show the nuclide-wise contributions to the total heat generation and radioactivity of the accumulated SNFs, which showed that the heat generation, radioactivity, and radio-toxicity of CANDU SNFs have significantly lower values due to the lower discharge burnup and no operation of CANDUs after 2027 than the PWR SNFs. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Evaluation and Interpretation of Properties for Saltstone Cores Extracted from an SDU - 17344

Extraction and subsequent analysis of emplaced saltstone samples from a Savannah River Site (SRS) Saltstone Disposal Unit (SDU) were performed in order to realize the following key objectives: (1) to support the use of historical and future laboratory-derived sample data to predict the behavior of field-emplaced samples, and (2) to substantiate the saltstone properties currently assumed in Saltstone Disposal Facility (SDF) transport modeling, i.e., Performance Assessment (PA) and Special Analyses (SA) models. Multiple cores were extracted via a wet core drilling process in April-May 2015 approximately 20 months after the saltstone of interest was processed in the Saltstone Production Facility (SPF) and subsequently emplaced in SDU Cell 2A (SDU2A). The retrieved samples were stored in an inert N{sub 2} environment prior to, and during, the property testing that took place between October 2015 and March 2016. Sample analyses comprised evaluation of physical properties (density, porosity, and moisture content), saturated hydraulic conductivity (K{sub sat}), and determination of distribution coefficients and solubilities for key radionuclides. In general the SDU2A samples indicated comparative properties to laboratory-prepared samples and additionally verified many of the inputs currently assumed in the SDF PA. The principal exception was related to the leaching characteristics of I-129, which demonstrated a lower than anticipated affinity for retention within the saltstone matrix. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Enhancing nuclear data validation analysis by using machine learning

In this work, we demonstrate how machine learning (ML) techniques can be used as an auxiliary tool for nuclear data validation analysis. The output of the ML analysis can inform evaluators and validators on the quality, or lack thereof, of specific nuclear data and benchmark experiments with respect to simulating these experimental benchmark values. To this end, measured and simulated effective neutron multiplication factors, k eff , of 875 selected ICSBEP critical assemblies and the latter's sensitivities with respect to nuclear data as well as benchmarks' features (e.g., material nuclide, core geometry) are used as input for a random forest (RF) regression model. The RF is used to encode the complex inter-dependencies between thousands of nuclear data features (i.e., sensitivity profiles and aspects describing the measurements) and 875 simulated and experimental k eff values in order to understand what nuclear data features are most informative for predicting bias. The complexity of relationships and high-dimensional space is difficult-to-impossible to search fully using simply expert judgment. As a first proof-of-concept—step, it is demonstrated that this technique is able to correctly trace large discrepancies between simulated and experimental k eff back to fabricated shortcomings in nuclear data that were perturbed to simulated k eff values. In a second, real-case scenario, step, the RF algorithm is used to validate the ENDF/B-VIII.0 library in comparison to ENDF/B-VII.1 nuclear data. One case is showcased where the chosen ML algorithms highlighted nuclear data (the 19 F(n,inl) cross section from 0.4–0.9 MeV) that are shown to be problematic by comparing them to associated differential experimental data and nuclear data from other libraries. In addition to that, it is shown that the RF results point towards poor benchmark experiments and associated underestimated uncertainties (e.g., the PU-SOL-THERM-028 series). However, using the RF algorithm for validating nuclear data with respect to k eff is currently limited to pinpointing groups of questionable nuclear data due to the inherent correlations between features introduced by the nuclear data themselves and how k eff is simulated. Due to this, we recommend that the ML methods presented be used to augment—rather than replace—the expert knowledge of evaluators and validators.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Virtual Design Studio (VDS) - Development of an Integrated Computer Simulation Environment for Performance Based Design of Very-Low Energy and High IEQ Buildings

Executive Summary The objective of this study was to develop a “Virtual Design Studio (VDS)”: a software platform for integrated, coordinated and optimized design of green building systems with low energy consumption, high indoor environmental quality (IEQ), and high level of sustainability. This VDS is intended to assist collaborating architects, engineers and project management team members throughout from the early phases to the detailed building design stages. It can be used to plan design tasks and workflow, and evaluate the potential impacts of various green building strategies on the building performance by using the state of the art simulation tools as well as industrial/professional standards and guidelines for green building system design. Engaged in the development of VDS was a multi-disciplinary research team that included architects, engineers, and software developers. Based on the review and analysis of how existing professional practices in building systems design operate, particularly those used in the U.S., Germany and UK, a generic process for performance-based building design, construction and operation was proposed. It distinguishes the whole process into five distinct stages: Assess, Define, Design, Apply, and Monitoring (ADDAM). The current VDS is focused on the first three stages. The VDS considers building design as a multi-dimensional process, involving multiple design teams, design factors, and design stages. The intersection among these three dimensions defines a specific design task in terms of “who”, “what” and “when”. It also considers building design as a multi-objective process that aims to enhance the five aspects of performance for green building systems: site sustainability, materials and resource efficiency, water utilization efficiency, energy efficiency and impacts to the atmospheric environment, and IEQ. The current VDS development has been limited to energy efficiency and IEQ performance, with particular focus on evaluating thermal performance, air quality and lighting environmental quality because of their strong interaction with the energy performance of buildings. The VDS software framework contains four major functions: 1) Design coordination: It enables users to define tasks using the Input-Process-Output flow approach, which specifies the anticipated activities (i.e., the process), required input and output information, and anticipated interactions with other tasks. It also allows task scheduling to define the work flow, and sharing of the design data and information via the internet. 2) Modeling and simulation: It enables users to perform building simulations to predict the energy consumption and IEQ conditions at any of the design stages by using EnergyPlus and a combined heat, air, moisture and pollutant simulation (CHAMPS) model. A method for co-simulation was developed to allow the use of both models at the same time step for the combined energy and indoor air quality analysis. 3) Results visualization: It enables users to display a 3-D geometric design of the building by reading BIM (building information model) file generated by design software such as SketchUp, and the predicted results of heat, air, moisture, pollutant and light distributions in the building. 4) Performance evaluation: It enables the users to compare the performance of a proposed building design against a reference building that is defined for the same type of buildings under the same climate condition, and predicts the percent of improvements over the minimum requirements specified in ASHRAE Standard 55-2010, 62.1-2010 and 90.1-2010. An approach was developed to estimate the potential impact of a design factor on the whole building performance, and hence can assist the user to identify areas that have most pay back for investment. The VDS software was developed by using C++ with the conventional Model, View and Control (MVC) software architecture. The software has been verified by using a simple 3-zone case building. The application of the VDS concepts and framework for building design and performance analysis has been illustrated by using a medium-sized, five story office building that received LEED Platinum Certification from USGBC.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Vadose Zone Model for SALDS for Composite Analysis

The objectives of the vadose modeling for the updated Hanford Site composite analysis (CA) are to simulate the flow and transport of water and radionuclide releases from the surface to the water table and to provide radionuclide transfer rates for the plateau to river (P2R) model, version 8.3 (CP-57037, Model Package Report: Plateau to River Groundwater Model, Version 8.3). Water additions include natural recharge and water discharged to the ground as a result of industrial processes associated with Hanford Site operations. Contaminant sources include radionuclides in water discharged to the ground during operations and radionuclides disposed “dry” in solid waste burial grounds or other means. The following 16 radionuclides were selected for this modeling effort: carbon-14 (C-14), chlorine-36 (Cl-36), tritium (H-3), iodine-129 (I-129), neptunium-237 (Np-237), rhenium-187 (Re-187), strontium-90 (Sr-90), technetium-99 (Tc-99), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), uranium-238 (U-238), radium-226 (Ra-226), and thorium-230 (Th-230). The simulation time starts in 1943 and ends at 12070, which is 10,000 years after assumed Hanford Site closure in 2070. The parallel version of the Subsurface Transport Over Multiple Phases (STOMP1) simulator, officially named the exascale Subsurface Transport Over Multiple Phases (eSTOMP) is used to simulate flow and transport for the vadose models. The documentation for the STOMP code is comprehensive. The theoretical and numerical approaches applied in the STOMP code are documented in a published theory guide (PNNL-12030, STOMP Subsurface Transport Over Multiple Phases Version 2.0 Theory Guide). The code has undergone a rigorous verification procedure against analytical solutions, laboratory-scale experiments, and field-scale demonstrations. The application guide (PNNL-11216, STOMP Subsurface Transport Over Multiple Phases Application Guide) provides instructive examples in the application of the code to classical groundwater problems. The user’s guide (PNNL-15782, STOMP: Subsurface Transport Over Multiple Phases Version 4.0: User’s Guide) describes the general use, input file formatting, compilation, and execution of the code. The primary output of the vadose zone modeling is radionuclide transfer rates to the groundwater for input into the P2R model. The rates will be summed over the 100 by 100 m P2R grid cells that fall within the vadose zone model source domain. The Hanford Site Central Plateau was subdivided into 26 individual vadose zone models, with 13 in the 200 East Area and 13 in the 200 West Area. Waste sites that have a completed performance assessment (PA) or past-leak analysis were not included as sources of radionuclides. Instead the vadose zone to groundwater transfer rates of the Environmental Restoration Disposal Facility, Integrated Disposal Facility, US Ecology, and Waste Management Area C (WMA C) PAs and the past-leak analysis for WMA C were used as direct input to the P2R model. Each of the vadose zone models is documented in separate environmental calculation files (ECFs). This ECF describes the State-Approved Land Disposal Site (SALDS) model. The scope of this ECF is to document the development and results of the SALDS vadose zone model. CP-63515, Model Package Report: Central Plateau Vadose Zone Models, describes the approach, assumptions, process of determining the number of models required and domain of each model, input data, and processing common to all the models.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Vadose Zone Model for B-3A/B Pond for Composite Analysis

The objectives of the vadose modeling for the updated Hanford Site composite analysis (CA) are to simulate the flow and transport of water and radionuclide releases from the surface to the water table and to provide radionuclide transfer rates for the plateau to river (P2R) model, version 8.3 (CP-57037, Model Package Report: Plateau to River Groundwater Model, Version 8.3). Water additions include natural recharge and water discharged to the ground as a result of industrial processes associated with Hanford Site operations. Contaminant sources include radionuclides in water discharged to the ground during operations and radionuclides disposed “dry” in solid waste burial grounds or other means. The following 16 radionuclides were selected for this modeling effort; carbon-14 (C-14), chlorine-36 (Cl-36), tritium (H-3), iodine-129 (I-129), neptunium-237 (Np-237), rhenium-187 (Re-187), strontium-90 (Sr-90), technetium-99 (Tc-99), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), uranium-238 (U-238), radium-226 (Ra-226), and thorium-230 (Th-230). The simulation time starts in 1943 and ends at 12070, which is 10,000 years after assumed Hanford Site closure in 2070. The parallel version of the Subsurface Transport Over Multiple Phases (STOMP) simulator officially named the exascale Subsurface Transport Over Multiple Phases (eSTOMP), is used to simulate flow and transport for the vadose models. The documentation for the STOMP code is comprehensive. The theoretical and numerical approaches applied in the STOMP code are documented in a published theory guide (PNNL-12030, STOMP Subsurface Transport Over Multiple Phases Version 2.0 Theory Guide). The code has undergone a rigorous verification procedure against analytical solutions, laboratory-scale experiments, and field-scale demonstrations. The application guide (PNNL-11216, STOMP Subsurface Transport Over Multiple Phases Application Guide) provides instructive examples in the application of the code to classical groundwater problems. The user’s guide (PNNL-15782, STOMP: Subsurface Transport Over Multiple Phases Version 4.0: User’s Guide) describes the general use, input file formatting, compilation, and execution of the code. The primary output of the vadose zone modeling is radionuclide transfer rates to the groundwater for input into the P2R model. The rates will be summed over the 100 by 100 m P2R grid cells that fall within the vadose zone model source domain. The Hanford Site Central Plateau was subdivided into 26 individual vadose zone models, with 13 in the 200 East Area and 13 in the 200 West Area. Waste sites that have a completed performance assessment (PA) or past-leak analysis were not included as sources of radionuclides. Instead the vadose zone to groundwater transfer rates of the Environmental Restoration Disposal Facility, Integrated Disposal Facility, US Ecology, and Waste Management Area C (WMA C) PAs and the past-leak analysis for WMA C were used as direct input to the P2R model. Each of the vadose zone models is documented in separate environmental calculation files (ECFs). This ECF describes the B-3A/B Ponds model. The scope of this ECF is to document the development and results of the B-3 A/B Ponds vadose zone model. CP-63515, Model Package Report: Central Plateau Vadose Zone Models, describes the approach, assumptions, process of determining the number of models required and domain of each model, input data, and processing common to all the models.

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Dilute Source CO 2 Capture: Management of Atmospheric Coal-Produced Legacy Emissions (Final Technical Report)

This report presents the scientific and technical findings by Carbon Engineering Ltd (CE) resulting from the DOE sponsored research and development project on Direct Air Capture (DAC) process. The work was performed by CE under the Award DE-FE0026861 from the US Department of Energy’s (DOE) National Energy Technology Laboratory (NETL). The work plan was centered on advancing the Recipient’s DAC technology, developing a better understanding of its performance and cost. The report outlines the results from two key activities that were performed under this award: Studying the performance characteristics of the DAC plant at both pilot and lab scale Techno-economic analysis (TEA) to study two implementations of CE’s proprietary DAC process: i) An early commercial DAC process that captures ~1 MT CO 2 /year of atmospheric CO 2 (Baseline case), and ii) A modified early commercial DAC process that captures 1 MT CO 2 /year of flue gas CO 2 downstream of a subcritical PC post-CCS power plant (Case 1 Option C). Within the first key activity of the project, significant operational improvements and learnings were realized, including for key equipment in the DAC process in addition to the overall system. Learnings included impact of equipment design on the capture, calcination and slaking processes, and operational parameter modifications for optimizing the pelletization process, along with the complex interactions and associated considerations of these on overall system performance. In parallel, benchtop scale equipment was successfully utilized to validate pilot scale data, such as, retention in the pellet reactor, and capture performance parameters of the air contactor. CE continues to conduct core research and development activities; the learnings from this DOE project will contribute to the design, testing and operation activities of CE’s fully integrated DAC validation plant, as well as the first commercial DAC plant. The second key activity incorporated the above learnings, as well as input from vendors and EPC experts, to produce the TEA report. More specifically, the TEA results were based on measured pilot plant performance data for all major unit operations, and on an energy and material balance for the process at commercial scale computed using an Aspen One® process simulation. The cost estimation methodology follows AACE International recommended practices; with an uncertainty range of -15%/+30%. Depending on financial assumptions, energy costs, and the specific choice of inputs and outputs, the levelized cost per ton CO 2 captured from the atmosphere for an early commercial plant for the baseline case ranges from 227 to 304 $/t-CO 2 . And, the levelized cost to capture 98% of the flue gas CO 2 emissions in a subcritical PC power plant (Case 1 Option C) through a combination of Cansolv carbon capture system and a modified DAC system was estimated to range from 109 to 160 $/MWh of net power generated. Process improvement opportunities identified during this work, in addition to cost reduction opportunities identified during the Value Engineering exercise associated with the Baseline case indicate that significant reductions in capital costs are available as CE scales up and proceeds through deployment of initial facilities.

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Provider of Services for Urban Air Mobility (PSU) Prototype Simulation (X5) Final Report

Urban Air Mobility (UAM) is a new air transportation service concept to carry passengers or cargo in metropolitan areas, leveraged by innovative aircraft and air traffic automation technologies. NASA has conducted a series of simulations, called the X-series simulation, to evaluate the UAM concept of operations and support the development of airspace procedures and services for UAM operations. The simulation called “X5” was conducted in 2023 to test a Provider of Services for UAM (PSU) prototype developed by NASA for UAM flight planning, strategic conflict management support, and data exchange between UAM operators. In this simulation, two strategic conflict management capabilities, Demand-Capacity Balancing and Sequencing and Scheduling, were further investigated. This document describes the UAM system architecture modeled, the X5 simulation environment to be executed (e.g., traffic scenario and UAM airspace construct), and the strategic conflict management processes developed and evaluated in this study. Then, the simulation results are provided using several system performance metrics, such as the number of operations planned and activated, demand-capacity imbalances detected and resolved, and pre-departure delays. Based on these metrics, the test findings and lessons learned from this simulation are discussed. NASA developed a PSU prototype as part of a reference implementation of UAM system architecture and evolved strategic conflict management capabilities for UAM operations from the previous collaborative simulations with industry partners. Below is the summary of the achievements: - Aligned NASA’s UAM reference architecture with the FAA’s UAM ConOps notional architecture - Extended UAM airspace management capabilities to include 1) Demand-Capacity Balancing (DCB) to ensure operators coordinate planned usage of shared vertiports, and 2) Sequencing and Scheduling (S&S) at UAM corridor entry and exit points to help facilitate an orderly flow of traffic - Defined the PSU information exchange APIs and requirements towards informing industry standards - Developed and tested a NASA PSU prototype as reference implementation to validate the requirements and APIs - Developed a prototype service connecting NASA’s PSU and the FAA system for testing future PSU-ATM interface requirements - Tested NASA-developed assumptions for UAM operations such as airspace design, procedures, vehicle performance, and strategic conflict management methods to inform future Cooperative Operating Practices (COPs) development with industry - Evaluated system performance metrics such as number of simultaneous operations and ground delays that can help define system-level requirements. The simulation results showed that the UAM traffic demand could be managed to minimize the needs of tactical separation provision with ground delays assigned by DCB and S&S. These accomplishments and the lessons learned from the PSU Prototype X5 simulation activities will be valuable inputs for the Air Mobility Pathfinders (AMP) project, which is NASA’s new project to create and evaluate a reference architecture for safe, secure, and scalable UAM operations.

Simulation↗

Multi-region Modeling of Daily Global Solar Radiation with Artificial Intelligence Ensemble

Solar radiation data are crucial for the design and evaluation of solar energy systems, climatic studies, water resources management, estimating crop productivity, etc. As so, for locations where direct measurements are not available, reliable models may be developed to estimate solar radiation from more readily available data. In this study, two artificial intelligence (AI)-based models including artificial neural network and adaptive neuro-fuzzy inference systems, three temperature-based empirical models including Meza–Varas, Hargreaves–Samani, and Chen, and a conventional multi-linear regression (MLR) model were employed for multi-region daily global solar radiation estimation for Iraq. To ensure appropriate selection of input variables, sensitivity analysis was conducted to determine the dominant parameters. Finally, two ensemble approaches, neural average ensemble and simple average ensemble, were applied to improve the performance of the single models. For this purpose, daily meteorological data of maximum temperature (T{sub max}), minimum temperature (T{sub min}), mean temperature (T{sub mean}), relative humidity (R{sub H}), and wind speed (U{sub 2}) were obtained from January 2006 to December 2016 from four major cities in Iraq representing, north, west, south, and east regions. The results revealed that temperatures (T{sub max}, T{sub mean}, T{sub min}) and relative humidity are the dominant parameters. While temperature-based empirical models and MLR model could be employed to achieve reliable results, AI-based models are superior in performance to other models. Also promising improvement in daily global solar radiation modeling could be achieved by model ensemble. The results of this study affirmed that the provided ensemble approaches can increase the performance of single models up to 19.19%, 7.59%, and 16.81% in training, validation, and testing steps, respectively.

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Probabilistic Groundwater Modeling of the RDX Plume at Los Alamos National Laboratory to Support Risk Assessment - 20359

A plume of the contaminant hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) with concentrations greater than the New Mexico tap water drinking standard (9.66 ppb) is present in the regional aquifer near the southwestern boundary of Los Alamos National Laboratory (LANL). A risk assessment is performed for exposure to regional aquifer groundwater, with long-term predictions of RDX concentrations provided by a calibrated, probabilistic, numerical fate and transport model. The structure of the model is hierarchical, with the RDX Regional Aquifer (RA) groundwater model acting as the primary tool for analysis of downgradient RDX concentrations. The RA model is deeply informed by the conceptual site model (CSM) and is calibrated using site RDX concentration data and hydraulic head measurements, along with other analyses. The model is calibrated using data through December 2019. Where data are scarce other lines of evidence are used to inform inputs, including the multiphase RDX Vadose Zone (VZ) model and Pipe and Disk analytical screening tool. Model inputs are described with informative prior distributions using a robust approach to development that incorporates all available lines of evidence for every parameter used as an input to the RA model. Calibration is performed using a classical nonlinear optimization routine, which is then used to initialize a Bayesian calibration. The Bayesian calibration constrains the uncertainty in the classical calibration, ultimately providing posterior distributions for all model parameters. The challenges of the calibration include high-dimensional parameter space, including spatially heterogeneous hydraulic conductivities, comparatively sparse data, and low RDX concentrations. Posterior parameter distributions developed in the calibration process are then used for stochastic predictive model runs into the future. The result of the forward runs is spatially and temporally explicit estimates of head and concentration with uncertainty at all points in space and time. The probabilistic modeling approach presented here includes innovative computational and statistical methods that leverage high-performance computing (HPC) resources. It makes use of prior modeling work performed at the chromium plume site in the central LANL area, with extensive updates. The risk assessment will ultimately be used to support decision-making at the site, using multiple appropriately weighted sources of information, as well as uncertainty, sensitivity, and value-of-information analyses. (authors)

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DECOVALEX-2023: Task F2 Salt Final Report

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

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