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At least 541 records · Page 30

Optimizing Heat Recovery with Storage: Control Validation and Sensitivity Analysis of the Time-Independent Energy Recovery Plant Using Modelica

Heat recovery in large building central plants saves energy but traditionally requires simultaneous heating and cooling. The Time-Independent Energy Recovery (TIER) plant shifts this paradigm by integrating thermal energy storage (TES) to enable heat recovery regardless of concurrent demand, offering a highly efficient, space-saving solution to achieve California’s energy goals. However, its integration of heat recovery chillers, cooling-only chillers, cooling towers, and trim air-source heat pumps (ASHPs) creates growing control and sizing complexity. To overcome this, this study employs high-fidelity Modelica dynamic simulation to validate TIER control sequences and optimize equipment sizing. We translated the written Sequences of Operation into executable Control Description Language (CDL) to test logic against sub-hourly loads. This verification workflow successfully identified and resolved critical vulnerabilities, such as thermal storage freezing and equipment short-cycling, in a virtual environment prior to physical deployment. Then, the study analyzes TIER plant performance across three simulated building types in three locations, and a real building load profile, ensuring variety in heating and cooling loads, and simultaneity factors and explores sizing rules for the TES and ASHP capacity. The analysis shows that the TIER plant operates equipment efficiently leading to a plant SCOP of around 7.5 across all scenarios, higher than a traditional ASHP plant, and a viable pathway to de-risk complex system design and control through simulation to identify optimal designs that maximize energy efficiency, minimize operational costs, and ensure robust operation in varied environmental conditions, thereby facilitating the broader adoption of such a solution for large buildings.

Zanetti, Ettore↗

Verification and Validation of MFiX-PIC

This work is aimed at verification and validation (V&V) of particle-in-cell (PIC) approach in the National Energy Technology Laboratory’s (NETL) Multiphase Flow with Interphase eXchanges (MFiX-PIC) which was officially released in April 2019. Under verification, the results from MFiX-PIC are compared with exact or analytical solutions, while experimental results are used for benchmarking under validation. The test suite consists of the following cases: Terminal velocity. Particle advection in time-varying flow field. Particle settling in a dense medium. Evaporation. Rayleigh-Taylor instability. Minimum fluidization. Mini-circulating fluidized bed. The cases reported in a format consistent with the existing Verification and Validation Manual (Musser et al., 2018) explore a wide range of flow velocities and concentration regimes. Only one case considered in this work verifies the implementation of heat and mass transfer routines in MFiX-PIC, while a few other studies are currently underway to further expand the validation space in reacting flows. This study highlights the need for a rigorous analysis to objectively quantify the effect of model parameters. In addition, there is a scarcity of high-quality experimental data in the literature suitable for validating PIC methodology. Future efforts would include performing experiments which provide results for a valuable database. While designing such experiments, particle count should be significant to have sufficient particles per parcel while maintaining an optimal parcel to cell volume ratio. Also, datasets should have objectively assessed experimental uncertainty whereby confidence interval in those measurements become more explicit.

42 ENGINEERING↗

Smart Semi-Supervised Accumulation of Large Repositories for Industrial Control Systems Device Information

Industrial Control Systems device manufacturers frequently add new features to improve their product performance. Oftentimes, these changes are mainly vendor-driven initiatives, and customers may not be aware of the full impact of these new capabilities on their cybersecurity posture. In the energy sector, this can lead to considerable dissonance between vendor-provided cybersecurity claims and a customer’s responsibility for Operation Technology cybersecurity compliance. Thus, the resulting dynamic verification burden is shifted towards the customer and may pose a significant cybersecurity risk to the energy sector landscape. We found that there is very limited research into cybersecurity auditing for Operational Technology. However, a solution is needed for vetting the vendor-supplied feature claims and their adherence to cybersecurity requirements and standards. We are presently engaged in an effort to develop such a system. This paper demonstrates one vital aspect of this effort in proposing an end-to-end framework to accumulate a large repository of ICS device information for this vetting system, curate the dataset, and conduct extensive processing. This framework is designed to use web scraping, data analytics and Natural Language Processing (NLP) techniques to identify vendor websites, automate the collection of website-accessible documents and automatically derive metadata from them for identification of product documents relevant to the repository. We have found that this automated approach to vendor identification, document extraction into a product repository, and NLP pre-processing is unique and has not been previously presented in the literature. The preliminary work shows that this is feasible and can produce reliable results with minimum supervision. Future work will be built upon this foundation in order to achieve semi-supervised vetting of device technical information – a vital capability for ensuring that vendor-claimed device cybersecurity capabilities match industry requirements.

Ameri, Kimia↗

Renewable Hydrogen to Vehicle (RH2V) – Operation Verification and Risk Mitigation Studies: Original Agreement (Modification 0) (CRADA Final Report)

Toyota has announced plans for commercial fuel cell vehicle deployment in 2015. To fully realize the benefits of fuel cell vehicles (zero emission with no performance loss in terms of vehicle range and capability), hydrogen produced efficiently from renewable sources is necessary. Most of the hydrogen fueling stations today utilize hydrogen reformed from natural gas (produced onsite or delivered). This enables more stations to be deployed cost-effectively within a network. Producing and using cost-effective renewable hydrogen in fuel cell vehicles will enable realization of the full potential. A viable option of green hydrogen that reliably delivers on the full suite of benefits for Toyota fuel cell vehicle drivers is needed. NREL is in a unique position to analyze and optimize renewable hydrogen production scenarios using the Energy Systems Integration Facility (ESIF), a facility that is specifically designed to evaluate renewable energy integration technologies. As the U.S. Department of Energy's (DOE) primary national laboratory for renewable energy and energy efficiency research and development, NREL has extensive knowledge of photovoltaic systems as well as alternative renewable technologies for efficient and reliable production of green hydrogen.

08 HYDROGEN↗

Progress Towards NQA-1 for Cardinal in FY25

Cardinal is a wrapping of the GPU-oriented spectral element Computational Fluid Dynamics (CFD) code NekRS and the Monte Carlo particle transport code OpenMC within the Multiphysics Object-Oriented Simulation Environment (MOOSE). Cardinal provides high-resolution thermal-hydraulics and/or radiation transport feedback to MOOSE multiphysics simulations. Multiphysics feedback is implemented in a geometry-agnostic manner which eliminates the need for rigid one-to-one mappings. A generic data transfer implementation also allows NekRS and OpenMC to couple to any MOOSE application, enabling a broad set of multiphysics capabilities. Cardinal simulations can also leverage combinations of MPI, OpenMP, and GPU resources. Cardinal continuous development and improvement efforts have led to the software being considered as a high-fidelity design and licensing tool for key areas of nuclear reactor relevant physics, including neutron transport, fluid flow, heat transfer, and mechanical processes. The fast development and expansion of the software from a pure R&D framework towards its application in the nuclear industry and regulation require a focus on developing, enhancing,and maintaining Cardinal’s software quality through strict adherence to a Software Quality Assurance (SQA) framework and SQA program. To facilitate compliance with SQA standards, the Cardinal SQA Program was initiated during Fiscal Year 2023 (FY23). During the development of the Cardinal SQA Program, multiple gaps have been identified. These gaps are primarily related to model verification and code pedigree as they relate to the use of Cardinal as an analysis tool. These gaps were captured in a report published in 2023. A second report highlighted the progress made during Fiscal Year 2024 (FY24) and described Argonne’s effort to document and integrate software verification within Cardinal’s software development process. This report documents the progress made towards NQA-1 for Cardinal in the Fiscal Year 2025 (FY25). All cases in the expanded Continuous Integration (CI) suite of NekRS are included in this report which test the solvers and modules available in NekRS exhaustively. The NekRS tests are integrated with the Cardinal CI suite and made available in publicly accessible Github documentation. Following the CI practice permits integrating of source code changes frequently and ensuring that the integrated codebase clears the verification testing for the software. Also in this report is a brief overview of the development of the Cardinal Software Quality Assurance Plan (SQAP) that was done in FY25, though it should be noted that the rest of the documentation for the SQA program needs to be developed in a future step of this task.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Investigation of the impact of difference between FRENDY and NJOY2016 on neutronics calculations

A nuclear data library is used as a starting input for all subsequent neutronics calculations. NJOY has been used worldwide as a nuclear data processing code to create cross section libraries for a long time. For the verification of NJOY method and for providing an alternative nuclear data processing tool, JAEA has been developed the new nuclear library processing code FRENDY. In this paper, nuclear calculations were performed using the ACE files and the multigroup libraries created by both FRENDY and NJOY, and the impacts on the neutronics characteristics due to nuclear data processing were investigated using those libraries. MCNP was used to compare the ACE files by calculating many benchmark problems including ICSBEP and it was confirmed that the k-eff values generally agree with each other within the range of statistical errors. The multigroup cross sections are verified by the BWR design codes LANCR/AETNA through calculation of a commercial BWR5 equilibrium core loaded with 9*9 fuels. It was confirmed that fuel assembly and core characteristics are consistent with each other. From the above investigations, it was confirmed that FRENDY can provide comparable continuous/multi-group neutron cross sections with NJOY. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Investigations on the multiple-sector hard-copper X-band accelerating structures

The development of advanced, high gradient accelerating structures is one of the leading activity of the particle accelerator community. In the technological research of new construction methods for these devices, high-power testing is a critical step for the verification of their viability. Recent experiments showed that accelerating cavities made out of hard copper, fabricated without high-temperature processes, can achieve better performance as compared with soft copper ones. Recently, we have built cavities using Tungsten Inert Gas welding and the high-power experiments confirmed that this joining process is a robust and low-cost alternative to brazing or diffusion bonding. This is a good solution for high-gradient operation, with a gradient of about 150 MV/m in X-band, at a breakdown rate of 10 -3 /pulse/meter using a shaped RF pulse with a 150 ns flat part. We continue the design, construction and high power tests of three-cells standing-wave X-band accelerating cavities fabricated with a split-open geometry, made of hard copper and vacuum-sealed by welding. Our aim is the fabrication of accelerating structures made out of hard copper alloys by using innovative cost-effective technologies. Moreover, our method of multiple-sector structures opens the way to new technological approaches and design methods, for example providing the possibility of placing dampers of the parasitic higher-order modes. Such structures with dampers allow for acceleration of multi-bunch beams, both in standing and in travelling-wave accelerating modality. Here, this paper describes the design of two cavities made of multiple sectors that were fabricated at the Italian Institute for Nuclear Physics in Frascati, Italy (INFN-LNF), assembled by means of clamping and then joined with the Tungsten Inert Gas welding in order to preserve the hardness of the metal. These are three-cell standing-wave X-band accelerating cavities, to be operated in the π-mode. We report the low-power RF tests of the first one, made of two halves, and the RF design of the second one, made of four quadrants. Both structures were built for high-gradient tests at SLAC National Accelerator Laboratory.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Software Quality Assurance for the MOOSE-Based Open-Source Multiphysics Code Cardinal - An Expanded CI Testing Suite

Cardinal is a wrapping of the GPU-oriented spectral element Computational Fluid Dynamics (CFD) code NekRS and the Monte Carlo particle transport code OpenMC within the Multiphysics Object-Oriented Simulation Environment (MOOSE). Cardinal provides high-resolution thermal-hydraulics and/or radiation transport feedback to MOOSE multiphysics simulations. Multiphysics feedback is implemented in a geometry-agnostic manner which eliminates the need for rigid one-to-one mappings. A generic data transfer implementation also allows NekRS and OpenMC to couple to any MOOSE application, enabling a broad set of multiphysics capabilities. Cardinal simulations can also leverage combinations of MPI, OpenMP, and GPU resources. Cardinal continuous development and improvement efforts have led to the software being considered as a high-fidelity design and licensing tool for key areas of nuclear reactor relevant physics, including neutron transport, fluid flow, heat transfer, and mechanical processes. The fast development and expansion of the software from a pure R&D framework towards its application in the nuclear industry and regulation require a focus on developing, enhancing and, maintaining Cardinal’s software quality through strict adherence to a Software Quality Assurance (SQA) framework and SQA program. To facilitate compliance with SQA standards, the Cardinal SQA Program has been initiated during Fiscal Year 2023 (FY23). During the development of the Cardinal SQA Program, multiple gaps have been identified. These gaps are primarily related to model verification and code pedigree as they relate to the use of Cardinal as a safety analysis tool. These gaps have been captured in a report published in 2023. A second report highlighted the progress made during Fiscal Year 2024 (FY24) and described Argonne’s effort to document and integrate software verification within Cardinal’s software development process. This report documents a snapshot of the verification test cases currently available for Cardinal and NekRS in their assimilation into a Continuous Integration (CI) platform. Following the CI practice permits the integrating of source code changes frequently and ensuring that the integrated codebase clears the verification testing for the software. It should be noted that the SQA program itself, including the program plans, procedures, configuration management, and testing strategies, need to be developed in a future step of this task.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Towards a Verifiable Domain-Specific Language for Hardware-Accelerated Stencils

Defining a domain-specific language (DSL) that supports vector-calculus abstractions eases the porting of partial differential equation (PDE) solvers to specialized architectures. Sufficiently high-level abstractions empower users to express universal laws with sufficient generality that the laws must always hold true within their domain of validity. A broad class of PDE solvers employs stencil-based algorithms, the target domain of Berkeley Lab's stencil accelerator chip co-design project. First released as open-source in January 2026, the Formal software framework lays a foundation for defining an embedded DSL based on composable operators that implement mimetic numerical methods -- stencil algorithms that guarantee satisfaction of discrete versions of important vector calculus theorems. The Formal DSL will be the frontend to a new class of stencil-PDE accelerators developed jointly by LBNL, UHCL, and UC Berkeley through the DOE Competitive Portfolios for Computer Science Project. This offers the potential of an order of magnitude acceleration for this important category of computational methods to serve the DOE mission. Future work on the Formal DSL will facilitate software verification via type-safe templates that enable problem-specific correctness proofs relying upon generic function theory and carefully crafted unit tests.

Rouson, Damian↗

Computational Fluid Dynamics Modeling to Facilitate Qualification of Stack Sampling Probe Location

Computational fluid dynamics (CFD) modeling was used to help evaluate modifications to a radiological effluent stack and assist with establishing a stack sampling location that met the mixing criteria for qualification. Requirements for stack sampling location are listed in the American National Standards Institute/Health Physics Society (ANSI/HPS) N13.1-2021 standard. Modeling was performed to help develop a suitable design for increasing building ventilation for the radiological effluent stack. The ANSI/HPS N13.1-2021 criteria for the air monitoring probe location are that the coefficient of variation of velocity uniformity, gaseous tracer uniformity, and particulate tracer uniformity must be less than or equal to 20%. Furthermore, no point in the sampling location may have a gaseous tracer concentration that varies from the mean concentration by more than 30%. Additionally, the flow angle at the sampling location must not be more than 20 degrees. The ANSI/HPS N13.1-2021 standard allows for models (physical or computational) to be employed to perform the full suite of qualification tests, followed by a more limited set of verification tests on the actual stack to qualify the stack sampling location. Here, a series of computational model simulations were employed to evaluate the stack qualification criteria. Significant time and re-source savings are achieved using CFD modeling. CFD modeling demonstrated that the stack meets the criteria at the sample probe location. Verification tests were performed on the modified stack to measure the velocity uniformity and flow angle at the stack sampling location, and results demonstrated that the CFD model results may be used to support the qualification of the stack sampling location.

Air Monitoring↗

Generic Multi-Layer Perceptron Inference Accelerator on FPGA (vneuron) v1.0

We have designed and implemented a neural network inference compute engine (vneuron) that can be deployed in the fabric of any FPGA without using special hardware accelerator primitive. The "vneuron" is purely written in verilog, and supports scalable neural network structure with fully connected layers and ReLU activation ( Multi-Layer Perceptron architecture) with 16 bits of precision. We have demonstrated it on an Xilinx Artix 7 FPGA for a 16-input, 8-output MLP with 3 layer, 1600 parameters. It takes 40 DSP48E and 40 BRAM18, and takes 131 clock cycles for computing (1048 ns when clocked at 125MHz). We include PyTorch quantization from a given floating point model, and provide behavioral verification simulation in the disclosed software package.

Du, Qiang↗

Dissertation Proposal: Innovations in Pulsed Power and Plasma Science Theory Simulation and Experiment

Pulsed power and plasma physics are topics of great study at both Sandia National Laboratories (SNL or Sandia) and the University of New Mexico (UNM). The goal of this research is to further knowledge and understanding of these fields using the resources of both SNL and UNM in three ways. The first way is through the comprehension, application, and testing of theory. Reading and analytically deriving theoretical solutions of problems both real-world and simplified will allow for a fresh perspective and the furthering of the theory. One such theory is Ottinger's generalized theory for voltage measurement in magnetically insulated transmission lines (MITLs). By working through the math, a deeper understanding of the theory is gained from which one may add more physically accurate and/or more detailed physics into the theory. Additionally, understanding the theory lays a good foundation from which one can analyze, test, and compare results to the theory in the following two ways that will advance the fields of pulsed power and plasma physics. The second way is through the modeling and simulation of real-world and simplified problems that utilize and test the afore mentioned theories. Theory can be applied to a simulation domain by using the unstructured time-domain electromagnetic (UTDEM) codes EMPHASIS and EMPIRE as well as the physical modeling software CUBIT, all of which were developed at SNL. Problems such as the modeling and design of the extended MITL on HERMES III, the understanding of space-charge-limited emission from vacuum cathodes, and the interaction between a relativistic electron beam and an ideal gas can all be modeled, simulated, and analyzed with this set of codes. Here the advantage is three-fold. Firstly, theory that describes our understanding of these problems can be put to the test and advanced through iterative simulation and analysis. Secondly, the understanding of these problems will have a positive impact on national security through the advancement of the technological capability of the United States of America. Thirdly, and not unrelated to the prior advantage, is the validation and verification of EMPIRE and EMPHASIS. This segues into the third way, which is through experiment and the comparison of experiment to simulated and theoretical results. Performing experimental comparisons completes the scientific method and grounds all of the work in reality. Being able to physically test theory and simulation is necessary for any real conclusions to be drawn. Another advantage for carrying out experimental work is to advance the physical testing capabilities of SNL. Several systems will be developed and tested through the course of this work that positively impact technological advancement of Sandia National Labs. Lastly, all of the above work will converge to yield a well-rounded perspective that ties the three categories of research together.

42 ENGINEERING↗

Epithermal Neutron Resonance Analysis Using a Compact D-T Generator

Nuclear material identification and isotopic composition analysis are important capabilities for safeguards and the verification of nuclear arms control and nonproliferation treaties. Epithermal neutron resonance imaging has been proposed for spent fuel assay measurements, and the development of a mobile neutron imaging system could provide such a tool for on-site applications. This technique is highly sensitive to isotopes of interest for safeguards applications (e.g. 235,238 U, 238,239,240 Pu) and yields unique transmission spectra for a target containing actinides and some mid- and high-Z elements. Paired with a position-sensitive neutron detector, such a system could provide spatial information of the target isotopic composition. Recent progress in the development of high intensity neutron sources could make mobile epithermal neutron imaging designs increasingly feasible to serve as a tool for nuclear inspectors. In this work, Monte Carlo (MC) simulations were performed to further optimize a previous design for an epithermal neutron resonance-based analysis apparatus using a D-T portable neutron generator. Additionally, experimental work is being performed to test the feasibility of this method. The MC simulations of moderation time distributions for different moderator compositions and thicknesses were measured to provide a multi-group correction for neutron time-of-flight energy reconstruction.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NRC Multiphysics Analysis Capability Deployment FY21: Part 3

This report details the progress and activities of Idaho National Laboratory (INL) on the Nuclear Regulatory Commission (NRC) project “Development and Modeling Support for Advanced Non-Light Water Reactors.” The deliverables completed for this report are: Deliverable 1c: the capability to model gas mixtures was added to Pronghorn. A test problem mimicking the conditions achieved in a depressurized loss of forced cooling (DLOFC) event was solved with both RELAP-5 and Pronghorn. Pronghorn employed a finite vol ume method with the Kurganov-Tadmor discretization. The comparison between the mass fraction spatial profiles computed with RELAP-5 and Pronghorn clearly shows the presence of numerical artifacts (i.e., overly diffusive behavior at low Mach numbers). We confirmed that the problem disappears at higher Mach numbers. We recommend future work on the implementation of a low Mach finite volume formulation to better treat low Mach number problems. Deliverable 2a: we demonstrated two approaches to model the radiation/conduction/natural convection heat transfer across a stagnant gas for the PBMR-400 design using Pronghorn. The first approach is based on the net radiation method, which relies on the computation of view factors with the Multiphysics Object-Oriented Simulation Environment (MOOSE) ray tracing capability. The second method is a traditional thermal resistance approach. The test problems include both 2D and 3D geometries. In all cases, the results show very good agreement during a DLOFC transient. This confirms that the faster thermal resistance method produces solutions that are equivalent to the net radiation method for this geometry. Deliverable 3d: we demonstrated the use of the advection kernel for the delayed neutron precursor equation in Griffin with a 2D MSFR model. The results appear physical but further verification is recommended. We also recommend the addition of conjugate heat transfer to compute the temperatures and model the thermomechanic behavior of the reflectors and other structures. Significant memory and performance issues were encountered in the 3D axisymmetric model. Future work is recommended in this area. Task 8g: this task allows multidimensional MOOSE applications to be coupled to system codes (RELAP-7 and SAM). We implemented a faster multiphysics iteration coupling algorithm, which provides an overall 6× acceleration of the 3D-1D coupling of the core multidi- mensional fluid flow solver and the 1D primary and secondary loop model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Assessing the limitations of commercial sensors and models for supporting marine carbon dioxide removal monitoring: a case study

Several unknowns remain surrounding marine Carbon Dioxide Removal (mCDR) monitoring, reporting, and verification (MRV) practices and capabilities. Current in-situ sensor technology is limited (primarily pH and pCO 2 ), requiring calculations and assumptions to estimate changes in carbonate chemistry parameters, including total alkalinity (TA). Considering that cost, energy consumption, and accuracy of commercial sensors can vary by orders of magnitude, understanding how well existing sensors perform in an mCDR context is important for this emerging community. Likewise, documenting sensor limitations and how relatively simple models can optimize sensor deployments will improve MRV efforts and support protocol development. Here we (1) compare performance a variety of commercially available sensors in a blind mesocosm experiment simulating ocean alkalinity enhancement (OAE), and how sensor performance impacted carbonate chemistry estimates; (2) evaluate if sensors can distinguish the OAE signal from natural variability during a small scale OAE field test in Sequim Bay, WA, USA, and (3) use an idealized ocean biogeochemistry model to explore optimal sensor network design based on (1) and (2). Our mesocosm results indicate that correctly constraining pH uncertainty will be critical for accurate TA estimates with current sensor technology compared to the less impactful variation caused by uncertainty in pCO 2 (pH data that are presented throughout are reported on the total scale (pH T ) unless otherwise noted). Our pilot field test demonstrated that sensors were capable of distinguishing mCDR signatures from natural variability under optimal real-world conditions. Idealized modeling simulations of the field test showed that a range of sparse and dense (3 to 100) sensors sampling areas of detectable increases will underestimate the net change in surface pH by at least 35–55%, at both realistic and highly elevated alkalinity input levels. We also highlight the limitations of current sensing technology for MRV, and the importance of ocean biogeochemistry models as critical tools for predicting when and where mCDR signals will be detectable using available sensors. Overall, our findings suggest that commercially available pCO 2 sensors and some pH sensors will form an important backbone for mCDR MRV tasks, though complete MRV characterization will require these data to be used in combination with other tools.

OAE↗

Accurate prediction of carbon dioxide capture by deep eutectic solvents using quantum chemistry and a neural network

Carbon dioxide (CO 2 ) emissions from fossil fuel combustion are a significant source of greenhouse gas, contributing in a major way to global warming and climate change. Carbon dioxide capture and sequestration is gaining much attention as a potential method for controlling these greenhouse gas emissions. Among the environmentally friendly solvents, deep eutectic solvents (DESs) have demonstrated the potential capability for carbon capture. To establish a theoretical framework for DES activity, thermodynamics modeling and solubility predictions are significant factors to anticipate and understand the system behavior. Here, in this study, we combine the COSMO-RS model with machine learning techniques to predict the solubility of CO 2 in various deep eutectic solvents. A comprehensive data set was established comprising 1973 CO 2 solubility data points in 132 different DESs at a variety of temperatures, pressures, and DES molar ratios. This data set was then utilized for the further verification and development of the COSMO-RS model. The CO 2 solubility (ln(x CO 2 )) in DESs calculated with the COSMO-RS model differs significantly from the experiment with an average absolute relative deviation (AARD) of 23.4%. A multilinear regression model was developed using the COSMO-RS predicted solubility and a temperature-pressure dependent parameter, which improved the AARD to 12%. Finally, a machine learning model using COSMO-RS-derived features was developed based on an artificial neural network algorithm. The results are in excellent agreement with the experimental CO 2 solubilities, with an AARD of only 2.72%. The ML model will be a potentially useful tool for the design and selection of DESs for CO 2 capture and utilization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Experimental Studies of Nonlinear Integrable Optics with Elliptic Potentials

The stable transport of charged particle beams is the core challenge in designing and operating accelerators. The current paradigm for transverse focusing is based on quadrupole and dipole elements, described as a linear integrable Hamiltonian by Courant and Snyder. The operational limits of high intensity accelerators are often determined by collective instabilities within the beam. Nonlinear elements may be added to suppress certain forms of these collective effects, but restrict the range of stable trajectories. These shortcomings motivate extending to a nonlinear integrable system which can offer the benefits of suppressing collective instabilities without limiting the stable trajectories. Danilov and Nagaitsev proposed a novel nonlinear integrable system with elliptical potentials, which could be implemented as magnetic elements in an accelerator. Such a system has been implemented for practical verification in the integrable optics test accelerator (IOTA), a small storage ring constructed for beam dynamics studies. Electron beam studies in IOTA treat the low-emittance beam as a macroparticle for detailed probing of the expected single particle dynamics. This dissertation details new measurements of the nonlinear integrable system relevant for practical implementation. Turn-by-turn measurements of the kicked beam responses are used for phase space reconstruction and analysis of the predicted nonlinear dynamics. The stability and aperture for various nonlinear configurations are measured with beam losses. Amplitude dependent detuning, a core figure of merit for suppressing instabilities, is measured and compared with high fidelity particle tracking simulations. The synchrotron radiation images of circulating beam allow direct measurements of the topology and lifetime in configurations where nonlinear focusing terms dominate.

Wieland, John [Michigan U.] (ORCID:000000028971852↗

Assessing high fidelity multi-component models to facilitate safeguards at Gas Centrifuge Enrichment Plants

We report that the International Atomic Energy Agency (IAEA) inspectors routinely carry out environmental sampling (ES) as a verification method. Collection of environmental swipe samples at various locations in Gas Centrifuge Enrichment Facilities (GCEPs) is an important process in detecting misuse of a declared facility and possibly the existence of undeclared nuclear material. These samples are measured for isotopic composition in uranium containing particles by Thermal Ionization Mass Spectrometry (TIMS) or Inductively Coupled Plasma Mass Spectrometry (ICP-MS). Even though ES is highly effective in detecting the absolute value of enrichments and their deviations from the declared values, it cannot explain the cause of those changes. Several potential explanations can serve as possibilities for particles detected above or other than the declared enrichment. These include normal and non-malicious events such as the design of the enrichment cascades, unintentional failures of the machines, or overshoot during startup of a cascade. It can also be the result of deliberate misuse by the facility operators. The primary objective of this work is to understand how these factors affect the enrichments produced by a cascade and quantify anticipated multi-isotopic concentrations for each case. The following methodology is employed to determine signatures at a particular facility. 1) Utilize a new two-dimensional multi-component diffusion code to obtain centrifuge performance data and use that information to design and perform cascade analysis. Compare and contrast the results with previous 1-D radially averaged solutions from the Pancake code. 2) Design a GCEP cascade with the production goal of 19.75% 235 U for each set of machine data above. Investigate two cascade scenarios that include enrichment of natural uranium (NU) feed to 19.75% 235U in a single cascade compared to a two-step process of NU to 5% and then 5% to 19.75%. 3) Simulate the intentional vs. unintentional off-normal scenarios in the cascades to assess the differences in isotopic concentrations. A non-ideal squared-off cascade model developed at the University of Virginia is used to calculate flow rates and isotopic concentrations of the process gas. The analysis is performed using the Rome machine model operated at 600 m/s rotor speed. The upper and lower bounds of normal and abnormal enrichments in a typical facility are used in conjunction with ES results to understand the root causes of such observations.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗