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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Extreme Compression for Large Scale Data Store

For the last 5 years Accelogic pioneered and perfected a radically new theory of numerical computing codenamed “Compressive Computing”, which has an extremely profound impact on real-world computer science [1]. At the core of this new theory is the discovery of one of its fundamental theorems which states that, under very general conditions, the vast majority (typically between 70% and 80%) of the bits used in modern large-scale numerical computations are absolutely irrelevant for the accuracy of the end result. This theory of Compressive Computing provides mechanisms able to identify (with high intelligence and surgical accuracy) the number of bits (i.e., the precision) that can be used to represent numbers without affecting the substance of the end results, as they are computed and vary in real time. The bottom line outcome would be to provide a state-of-the-art compression algorithm that surpasses those currently available in the ROOT framework, with the purpose of enabling substantial economic and operational gains (including speedup) for High Energy and Nuclear Physics data storage/analysis. In our initial studies, a factor of nearly x4 (3.9) compression was achieved with RHIC/STAR data where ROOT compression managed only x1.4.In this contribution, we will present our concepts of “functionally lossless compression”, have a glance at examples and achievements in other communities, present the results and outcome of our current, ongoing R&D, as well as present a high-level view of our plan to move forward with a ROOT implementation that would deliver a basic solution readily integrated into HENP applications. As a collaboration of experimental scientists, private industry, and the ROOT Team, our aim is to capitalize on the substantial success delivered by the initial effort and produce a robust technology properly packaged as an open-source tool that could be used by virtually every experiment around the world as means for improving data management and accessibility.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Source-to-accelerator quadrupole matching section for a compact linear accelerator

Recently, we presented a new approach for a compact radio-frequency (RF) accelerator structure and demonstrated the functionality of the individual components: acceleration units and focusing elements. In this paper, we combine these units to form a working accelerator structure: a matching section between the ion source extraction grids and the RF-acceleration unit and electrostatic focusing quadrupoles between successive acceleration units. The matching section consists of six electrostatic quadrupoles (ESQs) fabricated using 3D-printing techniques. The matching section enables us to capture more beam current and to match the beam envelope to conditions for stable transport in an acceleration lattice. We present data from an integrated accelerator consisting of the source, matching section, and an ESQ doublet sandwiched between two RF-acceleration units.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Assessment of Existing OpenStudio Measures: Reviews, Interviews, and Future Developments

OpenStudio Measure development is continuously in progress and greatly propelled by the collaborative efforts within the building energy modeling community. To ensure the widespread adoption and benefit of OpenStudio Measures, developers must understand the current status of Measure development and the needs of OpenStudio Measure users. The first step involves a comprehensive review of existing content to prevent redundancy and gain insights into how OpenStudio Measures are used in the building energy modeling community. This knowledge can then be integrated into the Measure development process, and the expertise of practitioners and OpenStudio Measure users can be leveraged to shape future Measures. Numerous OpenStudio Measures have been created and shared on the Building Component Library (BCL). The BCL is an open-source repository housing various OpenStudio-related resources, including building component blocks, descriptive metadata, and Measures describing modifications to building energy models. The OpenStudio Measures in BCL encompass a wide range of energy conservation Measures from basic lighting power reduction to complex HVAC model transformation. They also enable users to generate customized reports and facilitate the integration of energy simulation with other analytical processes. This report presents review of 272 currently available OpenStudio Measures in BCL. The OpenStudio Measures were reviewed by category and subcategory. These Measures are summarized by their functionalities and keywords. To gain insights into how OpenStudio Measures are used in building energy modeling community, interviews were conducted. A total of 12 interview responses were collected from 6 individuals in the industry and 6 individuals in academia. The knowledge acquired from reviewing the existing Measures and interview results will be integrated into the Measure development process, and the expertise of practitioners and OpenStudio Measure users will be leveraged to shape future Measures.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

ASIC Scoping Study Final Report

This report documents the results and findings of a one-year scoping study investigating multichannel readout application specific integrated circuits (ASICs) for interfacing to, and processing data from, silicon photomultiplier (SiPM) arrays. We document ASIC desired and required specifications for four applications supporting national security mission areas: neutron radiography, associated particle imaging, and two versions of kinematic neutron imaging cameras. While each application has a few unique requirements that stress capability, there is generally good agreement among most. Two recently developed ASIC devices were evaluated in a system-like configuration by interfacing these to scintillator crystals exposed to gamma and neutron sources. The 64-channel ORNL device delivered functional capability while meeting most mission requirements for neutron radiography. The Nalu Scientific device, a 32-channel full waveform digitizer, did not demonstrate reliable neutron / gamma separation but it is unclear if this was an ASIC issue or problems with test setup or firmware. A literature survey of other commercial and academic ASICs was undertaken to with the conclusion that existing devices do not meet all requirements.

42 ENGINEERING↗
DOE OSTI2025

Hybrid Energy-Powered Electrochemical Direct Ocean Capture Model

Offshore synthetic fuel production and marine carbon dioxide removal can be enabled by direct ocean capture, which extracts carbon dioxide from the ocean that then can be used as a feedstock for fuel production or sequestered underground. To maximize carbon capture, plants require a variety of low-carbon energy sources to operate, such as variable renewable energy. However, the impacts of variable power on direct ocean capture have not yet been thoroughly investigated. To facilitate future deployments, a generalizable model for electrodialysis-based direct ocean capture plants is created to evaluate plant performance and electricity costs under intermittent power availability. This open-source Python-based model captures key aspects of the electrochemistry, ocean chemistry, post-processing, and operation scenarios under various conditions. To incorporate realistic energy supply dynamics and cost estimates, the model is coupled with the National Renewable Energy Laboratory’s H2Integrate tool, which simulates hybrid energy system performance profiles and costs. This integrated framework is designed to provide system-level insights while maintaining computational efficiency and flexibility for scenario exploration. Initial evaluations show similar results to those predicted by the industry, and demonstrate how a given plant could function with variable power in different deployment locations, such as with wind energy off the coast of Texas and with wind and wave energy off the coast of Oregon. The results suggest that electrochemical systems with greater tolerances for power variability and low minimum power requirements may offer operational advantages in variable-energy contexts. However, further research is needed to quantify these benefits and evaluate their implications across different deployment scenarios.

16 TIDAL AND WAVE POWER↗
DOE OSTI2018

Data mining for better material synthesis: The case of pulsed laser deposition of complex oxides

The pursuit of more advanced electronics, and finding solutions to energy needs often hinges upon the discovery and optimization of new functional materials. However, the discovery rate of these materials is alarmingly low. Much of the information that could drive this rate higher is scattered across tens of thousands of papers in the extant literature published over several decades but is not in an indexed form, and cannot be used in entirety without substantial effort. Many of these limitations can be circumvented if the experimentalist has access to systematized collections of prior experimental procedures and results. Here, we investigate the property-processing relationship during growth of oxide films by pulsed laser deposition. To do so, we develop an enabling software tool to (1) mine the literature of relevant papers for synthesis parameters and functional properties of previously studied materials, (2) enhance the accuracy of this mining through crowd sourcing approaches, (3) create a searchable repository that will be a community-wide resource enabling material scientists to leverage this information, and (4) provide through the Jupyter notebook platform, simple machine-learning-based analysis to learn the complex interactions between growth parameters and functional properties. Here, the results allow visualization of growth windows, trends and outliers, which can serve as a template for analyzing the distribution of growth conditions, provide starting points for related compounds and act as a feedback for first-principles calculations. Such tools will comprise an integral part of the materials design schema in the coming decade.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Next-generation tunnel FETs: exploring material perspectives and areal tunneling configurations

The end of Dennard scaling, which facilitated proportional increases in computing power without added energy costs until the mid-2000s, has underscored the urgent need for innovative semiconductor devices that can enhance energy efficiency. Tunnel field-effect transistors (TFETs) have emerged as promising candidates to surpass the energy efficiency of conventional metal oxide semiconductor field-effect transistors (MOSFETs). Unlike MOSFETs, which rely on thermionic emission to overcome the source-channel potential barrier, TFETs operate through quantum tunneling, potentially enabling sub-60 mV dec −1 subthreshold swing (SS) for low-voltage operation. However, lateral TFETs have faced challenges in achieving adequate on-state current (I ON ) and a broad SS operation window, limiting their practical utility. This review article advocates for areal TFETs, which utilize face-to-face tunnel junctions that ideally offer step-function current turn-on characteristics and allow I ON to scale with device area rather than width. We highlight recent advancements in integrating 2D materials into tunneling structures, which could facilitate efficient band-to-band tunneling through atomically thin layers, while addressing challenges of gate field screening. We then discuss the nearer-term prospects of epitaxial areal TFETs comprising III–V compound semiconductors and group-IV semiconductors based on recent experimental progress. The review examines both quantum mechanical and semiclassical modeling approaches for TFETs, including techniques to reduce the computational complexity. The article delves into ongoing challenges in material synthesis, interface engineering, device fabrication, and integration pathways, concluding with recommendations for future research directions to overcome the fundamental power density limitations of conventional transistor technology.

2D materials↗
DOE OSTI2016

Engineering Bioelectronic Signal Transduction Using the Bacterial Type III Secretion Apparatus

Engineering efficient methods for living systems to transfer electrical energy to non-living systems, at relevant size scales, continues to challenge our knowledge of materials and biology. Our goal was to enable signal transduction between cells and inorganic materials, using controlled electron transport as the energy transfer mechanism. We envision using the cell as a living battery, providing a set of environmental signals to trigger synthetic biological networks that divert intracellular electron transport pathways to inorganic extracellular structures. Conversely, changing electron influxes could guide cellular responses. It is challenging, however, to precisely engineer nanostructured materials to achieve controllable catalytic or electronic properties and connect them with biological energy sources. Our approach to this problem is to engineer protein scaffolds, taking advantage of the native recognition, selectivity and self-assembly properties of these nano-scale building blocks as well as their native intracellular localization patterns. We are using a type III secretion system (T3SS) needle protein from Salmonella enterica, PrgI, as a template for metal nanowire synthesis for biosensing and bioenergy applications. We demonstrate that purified PrgI monomers spontaneously self assemble into long filaments, and that high-affinity peptide tags specific for attachment to functionalized particles can be integrated into the N-terminal region of PrgI. The resulting filaments selectively bind to gold, whether the filaments are assembled in vitro, sheared from cells, or remain attached to live S. enterica cell membranes. Chemical reduction of the gold modified PrgI variants results in structures that are several microns in length and which incorporate a contiguous gold surface.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

EJFAT: Towards Intelligent Compute Destination Load Balancing

To handle increased data flow, Jefferson Lab (JLab) is partnering with ESnet for development of an AI/ML directed compute work Load Balancer (LB) of UDP streamed data. The LB is FPGA based featuring dynamically configurable, low latency and high throughput destination address switching. The LB provides integration of edge and core computing to support JLab experimental programs, the Electron-Ion Collider, as well as data centers of the future. In the ESnet/JLab FPGA Accelerated Transport (EJFAT) initiative, the function of the LB Data Plane (DP) is to redirect data streams to selectable (but unknown to sender) destination hosts based on current worload and within that host to destination ports as a function of sub- stream id. This effects hierarchical scaling, first across compute machines for processing over a series of events and second, across ports so different data source sub-streams may be assigned to different processors for further parallelization. The LB Control Plane (CP) programs the DP using compute farm telemetry to direct and balance workloads across a compute cluster as the operating conditions require. While Proportional/Integrative/Derivative (PID) controllers are often seen in similar applications, here we investigate the feasibility of a Reinforcement Learning (RL) based schedule manager running in the CP to provide dynamic updates to the DP scheduling policy.

Lawrence, David↗
DOE OSTI2025

Producing High-fidelity Synthetic Population Ensembles at Scale

Used within social simulations, synthetic population ensembles enable uncertainty quantification (UQ) methods for obtaining more robust model inference and prediction. A synthetic population ensemble is a series of plausible virtual reconstructions of an area’s population at the granularity of people and residences, generated stochastically to preserve privacy of the source population survey’s respondents. In this paper, we demonstrate the production of large synthetic population ensembles for the US via Oak Ridge National Laboratory’s UrbanPop framework to support modeling of high spatial resolution energy affordability metrics from nationwide social surveys in collaboration with the fusionACS project. Our initial task involves creating ensembles for 17 US metropolitan areas, each consisting of 41 population instances (a base realization and 40 replicates). To accomplish this task at scale, we configured an integrated system comprised of a research cloud, virtual containerization, GPU-enhanced functionality, and a dual API/CLI to interact with UrbanPop’s maturing Likeness Python ecosystem. We observe a reduction in theoretical execution time while maintaining high-fidelity approximations of residential totals by metropolitan area and the demographic characteristics of neighborhoods. We discuss expansion of our approach to produce synthetic population ensembles for the entire US, particularly plans to establish automated workflows for job orchestration to increase computational efficiency, as well as provide outlook for broadening applications of the ensembles.

Gaboardi, James [ORNL] (ORCID:0000000247766826)↗
DOE OSTI2017

CO 2 exchange and evapotranspiration across dryland ecosystems of southwestern North America

Abstract Global‐scale studies suggest that dryland ecosystems dominate an increasing trend in the magnitude and interannual variability of the land CO 2 sink. However, such analyses are poorly constrained by measured CO 2 exchange in drylands. Here we address this observation gap with eddy covariance data from 25 sites in the water‐limited Southwest region of North America with observed ranges in annual precipitation of 100–1000 mm, annual temperatures of 2–25°C, and records of 3–10 years (150 site‐years in total). Annual fluxes were integrated using site‐specific ecohydrologic years to group precipitation with resulting ecosystem exchanges. We found a wide range of carbon sink/source function, with mean annual net ecosystem production ( NEP ) varying from ‐350 to +330 gC m −2 across sites with diverse vegetation types, contrasting with the more constant sink typically measured in mesic ecosystems. In this region, only forest‐dominated sites were consistent carbon sinks. Interannual variability of NEP , gross ecosystem production ( GEP ), and ecosystem respiration (R eco ) was larger than for mesic regions, and half the sites switched between functioning as C sinks/C sources in wet/dry years. The sites demonstrated coherent responses of GEP and NEP to anomalies in annual evapotranspiration ( ET ), used here as a proxy for annually available water after hydrologic losses. Notably, GEP and R eco were negatively related to temperature, both interannually within site and spatially across sites, in contrast to positive temperature effects commonly reported for mesic ecosystems. Models based on MODIS satellite observations matched the cross‐site spatial pattern in mean annual GEP but consistently underestimated mean annual ET by ~50%. Importantly, the MODIS ‐based models captured only 20–30% of interannual variation magnitude. These results suggest the contribution of this dryland region to variability of regional to global CO 2 exchange may be up to 3–5 times larger than current estimates.

Biederman, Joel A.↗
DOE OSTI2017

Sensitivity Analysis of Neutron Multiplicity Counting Statistics Using First-Order Perturbation Theory and Application to a Subcritical Plutonium Metal Benchmark

It is frequently important to estimate the uncertainty and sensitivity of measured and computed detector responses in subcritical experiments and simulations. These uncertainties arise from the physical construction of the experiment, uncertainties in the transport parameters, and counting uncertainties. Perturbation theory enables sensitivity analysis (SA) and uncertainty quantification on integral quantities like detector responses. Here the aim of our work is to apply SA to the statistics of subcritical neutron multiplicity counting distributions. Current SA methods have only been applied to mean detector responses and the keff eigenvalue. For multiplicity counting experiments, knowledge of the higher-order counting moments and their uncertainties are essential for a complete SA. We apply perturbation theory to compute the sensitivity of neutron multiplicity counting moments to arbitrarily high order. Each moment is determined by solving an adjoint transport equation with a source term that is a function of the adjoint solutions for lower-order moments. This enables moments of arbitrarily high order to be sequentially determined, and it shows that each moment is sensitive to the uncertainties of all lower-order moments. To close our SA of the moments, we derive forward transport equations that are functions of the forward flux and lower-order moment adjoint fluxes. We verify our calculations for the first three moments by comparison with multiplicity counting measurements of a subcritical plutonium metal sphere. For the first three moments, the most influential parameters are ranked, and the validity of first-order perturbation theory is demonstrated by examining the series truncation error. This enables a detailed SA of subcritical multiplicity counting measurements of fissionable material based on transport theory.

42 ENGINEERING↗
DOE OSTI2017

Thermoelectric La-doped SrTiO 3 epitaxial layers with single-crystal quality: from nano to micrometers

High-quality thermoelectric La 0.2 Sr 0.8 TiO 3 (LSTO) films, with thicknesses ranging from 20 nm to 0.7 μm, have been epitaxially grown on SrTiO 3 (001) substrates by enhanced solid-source oxide molecular-beam epitaxy. All films are atomically flat (with rms roughness < 0.2 nm), with low mosaicity (<0.1°), and present very low electrical resistivity (<5 × 10 -4 Ω cm at room temperature), one order of magnitude lower than standard commercial Nb-doped SrTiO3 singlecrystalline substrate. The conservation of transport properties within this thickness range has been confirmed by thermoelectric measurements where Seebeck coefficients of approximately –60 μV/K have been recorded for all films. These LSTO films can be integrated on Si for nonvolatile memory structures or opto-microelectronic devices, functioning as transparent conductors or thermoelectric elements.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Verification of the DIF3D Software to Support Fast Reactor Analysis

Ongoing design activities at Argonne National Laboratory are requiring a thorough verification of the Argonne Reactor Computation codes be performed. DIF3D is central to this system. The driver for this effort requires the 3D Cartesian, triangular-Z, and hexagonal-Z core geometry options of DIF3D be verified. Previous work identified the DIF3D features required to be verified to support current design activities, features of which are generally applicable to hexagonal-Z fast reactor designs. The scope of this verification effort includes verifying DIF3D’s ability to correctly translate the user’s model in to DIF3D’s preferred format, verifying that options planned for use have the desired effect, and verifying the correctness of the eigenvalue, fixed-source, forward, and adjoint solvers in DIF3D-FD and DIF3D-VARIANT. This manuscript provides the verification tasks and their results with respect to the features needed for current design activities. Since analytic solutions of the neutron diffusion and transport equations are either limited in scope or not possible, multiple tiers of problems unique to each solver and geometry type were implemented. Each of these tiers tests features independent and complementary arguments for why the separate testing of functionalities is acceptable. Finally, this separate testing was also supplemented with a high-level integral check of each the diffusion and transport capabilities and applicable geometries. To accommodate cases which an analytic solution is not feasible, MCNP6.2 was relied upon to provide a higher-order reference solution. This therefore required that the capabilities within MCNP6.2 which were relied upon for this work are also verified in this work. No MCNP discrepancies were noted in this effort. Note that the MCNP6.2 verification included in this work does not stand as a full verification of MCNP6.2, but merely verifies the features used in verifying DIF3D. The verification effort identified no issues that are debilitating or otherwise impactful to design usage of DIF3D, and thus DIF3D version 11.0, release 3012 is considered verified. The types of issues that were identified were predominantly in the areas of: unclear documentation, software bugs which were inconsequential to final results, editing options which were ignored in favor of printing more information than requested, bugs in the outputs of intermediate results, or secondary output binary file information which was not present. While not a bug, this verification report also identified that the algorithm used to evaluate the peak fast flux in a nodal transport solution can be quite unreliable due to the polynomial order used and the location of the peak within the mesh. The authors of the report therefore recommend the usage of the EvaluateFlux software (distributed with ARC) as a more robust alternative.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Verification of the DIF3D Software to Support Fast Reactor Analysis

Ongoing design activities at Argonne National Laboratory are requiring a thorough verification of the Argonne Reactor Computation codes be performed. DIF3D is central to this system. The driver for this effort requires the 3D Cartesian, triangular-Z, and hexagonal-Z core geometry options of DIF3D be verified. Previous work identified the DIF3D features required to be verified to support current design activities, features of which are generally applicable to hexagonal-Z fast reactor designs. The scope of this verification effort includes verifying DIF3D’s ability to correctly translate the user’s model in to DIF3D’s preferred format, verifying that options planned for use have the desired effect, and verifying the correctness of the eigenvalue, fixed-source, forward, and adjoint solvers in DIF3D-FD and DIF3D-VARIANT. This manuscript provides the verification tasks and their results with respect to the features needed for current design activities. Since analytic solutions of the neutron diffusion and transport equations are either limited in scope or not possible, multiple tiers of problems unique to each solver and geometry type were implemented. Each of these tiers tests features independent and complementary arguments for why the separate testing of functionalities is acceptable. Finally, this separate testing was also supplemented with a high-level integral check of each the diffusion and transport capabilities and applicable geometries. To accommodate cases which an analytic solution is not feasible, MCNP6.2 was relied upon to provide a higher-order reference solution. This therefore required that the capabilities within MCNP6.2 which were relied upon for this work are also verified in this work. No MCNP discrepancies were noted in this effort. Note that the MCNP6.2 verification included in this work does not stand as a full verification of MCNP6.2, but merely verifies the features used in verifying DIF3D. The verification effort identified no issues that are debilitating or otherwise impactful to design usage of DIF3D, and thus DIF3D version 11.0, release 3012 is considered verified. As some additional changes have been made to the ARC software since this point all versions between release 3012 and 3266 can be considered verified as version 3253 was used for all updates in this revision. The types of issues that were identified were predominantly in the areas of: unclear documentation, software bugs which were inconsequential to final results, editing options which were ignored in favor of printing more information than requested, bugs in the outputs of intermediate results, or secondary output binary file information which was not present. While not a bug, this verification report also identified that the algorithm used to evaluate the peak fast flux in a nodal transport solution can be quite unreliable due to the methodology used and the location of the peak within the mesh. The authors of the report therefore recommend the usage of the EvaluateFlux software (distributed with ARC) as a more robust alternative noting that DIF3D will properly notify the user when the peaking values it is providing are potentially incorrect.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Demonstration of acoustic monitoring for structural health of microreactors: Through use of neural networks and resonant ultrasound spectroscopy

Nuclear microreactors prioritize modularity and portability and are intended to be a cost-effective technology for non-conventional nuclear markets. As such, the development of microreactors into a safe and feasible solution for energy security applications will necessitate the development of non-destructive technologies to monitor the integrity of inaccessible reactors components during operation. This demonstration applies linear and nonlinear acoustic techniques, in combination with machine learning, to detect and classify mechanical changes (stress and damage) in a test article which are broadly representative of potential operating challenges within a functioning microreactor. All necessary data has been collected for this demonstration, with minor experimental issues identified that can be addressed in follow-on work. Motivated by the expected conditions within a functioning microreactor, we have demonstrated our monitoring techniques on a core-block-like test article using an unstructured excitation source that approximates the noisy acoustic environment expected during reactor operation. At all stress states mechanically applied to the test article, a machine learning model using an artificial neural network was able to classify with 100% accuracy whether a 3D laser vibrometry point measurement was made on an intact or artificially defective test article. Further, model predictions about whether the defect interface was rough or smooth were 95% accurate, indicating the ability of acoustic techniques to recover defect characteristics. Resonant ultrasound spectroscopy (RUS) was also applied to the dataset to provide further quantitative insights about material properties. RUS analysis was ultimately hampered by several minor experimental and data issues, limiting results to certain cases for this demonstration. Last, analysis using nonlinear RUS exhibited sensitivity to changing levels of applied stresses for each intact and defective state. As presented in this demonstration, acoustic monitoring exhibits sensitivity to stress changes, which are of concern due to high thermal gradients expected during startup and operation. Further, our techniques distinguish between measurements made on intact and damaged test articles.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Verification of the DIF3D Software to Support Fast Reactor Analysis (Rev. 3)

Ongoing design activities at Argonne National Laboratory are requiring a thorough verification of the Argonne Reactor Computation codes be performed. DIF3D is central to this system. The driver for this effort requires the 3D Cartesian, triangular-Z, and hexagonal-Z core geometry options of DIF3D be verified. Previous work identified the DIF3D features required to be verified to support current design activities, features of which are generally applicable to hexagonal-Z fast reactor designs. The scope of this verification effort includes verifying DIF3D’s ability to correctly translate the user’s model in to DIF3D’s preferred format, verifying that options planned for use have the desired effect, and verifying the correctness of the eigenvalue, fixed-source, forward, and adjoint solvers in DIF3D-FD and DIF3D-VARIANT. This manuscript provides the verification tasks and their results with respect to the features needed for current design activities. Since analytic solutions of the neutron diffusion and transport equations are either limited in scope or not possible, multiple tiers of problems unique to each solver and geometry type were implemented. Each of these tiers tests features independent and complementary arguments for why the separate testing of functionalities is acceptable. Finally, this separate testing was also supplemented with a high-level integral check of each the diffusion and transport capabilities and applicable geometries. To accommodate cases which an analytic solution is not feasible, MCNP6.2 was relied upon to provide a higher-order reference solution. This therefore required that the capabilities within MCNP6.2 which were relied upon for this work are also verified in this work. No MCNP discrepancies were noted in this effort. Note that the MCNP6.2 verification included in this work does not stand as a full verification of MCNP6.2, but merely verifies the features used in verifying DIF3D. The verification effort identified no issues that are debilitating or otherwise impactful to design usage of DIF3D, and thus DIF3D version 11.0, release 3012 is considered verified. As some additional changes have been made to the ARC software since this point all versions between release 3012 and 3266 can be considered verified as version 3253 was used for all updates in this revision. The types of issues that were identified were predominantly in the areas of: unclear documentation, software bugs which were inconsequential to final results, editing options which were ignored in favor of printing more information than requested, bugs in the outputs of intermediate results, or secondary output binary file information which was not present. While not a bug, this verification report also identified that the algorithm used to evaluate the peak fast flux in a nodal transport solution can be quite unreliable due to the methodology used and the location of the peak within the mesh. The authors of the report therefore recommend the usage of the EvaluateFlux software (distributed with ARC) as a more robust alternative noting that DIF3D will properly notify the user when the peaking values it is providing are potentially incorrect.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

NMPC for Mode-Switching Operation of Reversible Solid Oxide Cell Systems

Solid oxide cells (SOCs) are a promising dual-mode technology that generates hydrogen through high-temperature water electrolysis and generates power through a fuel cell reaction that consumes hydrogen. Reversible operation of SOCs requires a transition between these two modes for hydrogen production setpoints as the demand and price of electricity fluctuate. Moreover, a well-functioning control system is important to avoid cell degradation during mode-switching operation. In this work, we apply nonlinear model predictive control (NMPC) to an SOC module and supporting equipment and compare NMPC performance to classical proportional integral (PI) control strategies, while ramping between the modes of hydrogen and power production. While both control methods provide similar performance in many metrics, NMPC significantly reduces cell thermal gradients and curvatures (mixed spatial-temporal partial derivatives) during mode switching. A dynamic process flowsheet of the reversible SOC system was developed in the open-source, equation-based IDAES modeling framework. Our IDAES dynamic simulation results show that NMPC can ramp the SOC system between hydrogen and power production targets within short mode-switching times. Moreover, NMPC can comply with operating limits in the SOC system more effectively than PI, and only NMPC can directly enforce user-specified limits for mixed spatial-temporal partial derivatives of temperature. This allows for management of the trade-off be-tween operating efficiency and cell degradation, which is dependent on these temperature curvatures.

Li, Mingrui↗