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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 OSTI2022

Application of FARM to an IES scenario within the FORCE ecosystem

The FARM (Feasible Actuator Range Modifier) software module is a component of the RAVEN-based FORCE framework for analysis of Integrated Energy Systems (IES). FARM supports the HERON software module in the evaluation of the optimal dispatch by evaluating feasible set-points for the different IES unit components. Set-points are required to satisfy limits on both production variables (i.e., the variables to be optimized such as the electrical power, the hydrogen production rate, etc.) and process variables tied to the service life of equipment (e.g., steam flowrate, vessel pressure, turbine firing temperature, etc.). This problem is addressed by adopting a two-stage approach. First, the HERON power dispatcher determines set-points that meet the constraints on the former variables (e.g., power levels and power ramp rate limits). These constraints are called explicit constraints. Then, FARM adjusts these set-points to ensure the respect of the limits on the latter variables given the knowledge of the system physics acquired through machine learning algorithms. These constraints are called implicit constraints. From this standpoint, FARM constitutes a bridge between the HERON power dispatcher that adopts a simplified description of the IES unit (low-resolution physics) and the HYBRID high-fidelity models (high-resolution physics). The original version of the FARM software module (FARM-Alpha) was released by Argonne National Laboratory in January 2021. In the latest version of the code released in July 2022 (FARM-Delta), the Reference Governor (RG) algorithm was upgraded to a Multi-Input Multi-Output version from its original Single-Input Single-Output form. The RG algorithm acts to enforce constraints. With this improvement an IES unit is now treated as a single dynamic system from the standpoint of control. The crosstalk among components in an IES unit is now fully considered thereby ensuring a true optimization is obtained for those units that have multiple set-points. In this report, the capabilities of FARM-Delta operating within the FORCE ecosystem are demonstrated for an IES test case. The specific configuration of IES unit for this case was selected by the IES team with consultation from the Advanced Reactor IES Expert Group. A full TEA analysis that invoked HERON, HYBRID, FARM, and RAVEN was performed and serves to demonstrate how the latest modification to FARM algorithms (i.e., state variable selection, state-space matrices derivation, set-point verification) can shape setpoints that might otherwise compromise the health of equipment through accelerated wear and tear. In this specific test case, it was demonstrated that these algorithms ensure a more efficient utilization of steam resources to be shared by two different subsystems, namely Balance of Plant (BOP) and High-Temperature Steam Electrolysis (HTSE). Finally, some code improvements that can further enhance the user-friendliness are suggested.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Verification and Validation of the STAT7 Code

This document presents the verification and validation of the STAT7 Version 1.1 code, which has been developed to perform the steady-state thermal hydraulics (TH) safety calculations required to support conversion of the Massachusetts Institute of Technology Research Reactor from highly enriched uranium fuel to low- enriched uranium fuel. The key capabilities of the code, including statistical processing, water property generation, and TH solution, are verified independently. While the first two capabilities are checked using statistical tests and NIST data tables, each component of the TH solution is verified using simple geometry test problems. The comparison between results obtained by the code and by hand calculations on these problems shows that each of these components works correctly. Additionally, a comprehensive comparison between STAT7 Version 1.1 and PLTEMP/ANL Version 4.3 Revision 162 calculations is performed for the validation. Good agreement is achieved between the results obtained with the two codes for all TH parameters belonging to the fuel core region.

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 OSTI2023

Athena-I CUBIT Journal Files

The Monte Carlo N-Particle (MCNP)1 transport code version 6 (also known as MCNP6) has the capability for tracking particles on unstructured mesh (UM) geometry models embedded into con structive solid geometry (CSG) cells. This feature has been developed for performing calculations of complex geometry models because manually creating CSG models is a time-consuming and error prone process as the complexities of geometries increase. The UM capability was originally designed to work with UM models created with the Abaqus software and ASCII input files that it generates. The MCNP code version 6.0 and later can process UM models formatted as Abaqus input files. Starting with version 6.3, MCNP can also process HDF5 mesh input files. External codes must be used to generate Abaqus input files for MCNP UM calculations. CUBIT, the Sandia National Laboratory automated mesh generation toolkit, can generate a UM model formatted as an Abaqus input file. However, the Abaqus input files exported from CUBIT cannot be used for MCNP simulations because it lacks the proper syntax. A Python script was developed to convert an Abaqus file created by CUBIT to an Abaqus file format that MCNP can process. Creating UM models for complex geometries is not an easy task. The process of creating UM models in CUBIT for MCNP simulations is detailed in. CUBIT provides several user interface options including a graphical user interface (GUI) and a command line interface. A GUI provides an easy way to use CUBIT without learning the CUBIT command syntax. When using CUBIT with either interface option, command lines are written into an ASCII file known as a journal file; this journal file can be edited and archived so that it can be played back in CUBIT to automatically generate a UM model. This report describes the CUBIT journal files of the UM models developed for Athena-I. The Athena platform, an energy-tuning assembly, was developed to spectrally shape the National Ignition Facility (NIF) deuterium-tritium fusion neutron source to a thermonuclear (fusion) plus prompt fission neutron spectrum with capability to act as a short-pulse neutron source. MCNP6 was used for the Athena experiment design analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

The QUIC Start Guide (v 6.4.7)

There are versions of QUIC for 64-bit Windows, 64-bit Linux, and 64-bit Intel Mac OS X. As compared to earlier 32-bit versions of QUIC, the 64-bit versions allow the QUIC transport and dispersion codes to access greater than 2 GB of RAM and thus larger problems can be run.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Integrate FARM with PID controllers: IES Simulation Ecosystem Control System Development

The FARM (Feasible Actuator Range Modifier) software module is a component of the RAVEN-based FORCE framework for analysis of Integrated Energy Systems (IES). FARM was designed to support the HERON software module in the solution of the optimal dispatch problem for IES units. As the result of HERON-FARM dispatch simulation, the set-point trajectories are optimized to meet constraints on both the production variables (i.e., the variables to be optimized such as the electrical power, the hydrogen production rate, etc.) and the process variables tied to the service life of equipment (e.g., steam flowrate, vessel pressure, turbine firing temperature, etc.) at a coarse time resolution (every 10 or 100 seconds) over long time horizons (several days or weeks). In case the operational constraints need to be met at finer time resolution, the computational burden of HERON-FARM would linearly increase with the sampling rate, and sub-optimal solutions might be obtained. System responses characterized by overshoots and damped oscillations temporarily violating the imposed constraints might occur during abrupt power transients. In this report, a hierarchical control system architecture for the operation of the Dynamic Energy Technology and Integration Laboratory (DETAIL) facility constructed at INL was proposed. First, the preliminary studies on the proposed control strategy for operating the facility and the designed PI controllers were reviewed. In particular, the current approach for generating the set-point trajectories was studied, and its limits were identified. To this aim, the inclusion of a Supervisory Control layer embedding a modified version of the FARM algorithm for preserving the system safe operation over both long and real-time horizons was proposed. In this way, FARM would be applied twice, i.e., the original version (“FARM Validator”) aiding the solution of the power dispatch problem, and the modified version (“FARM Supervisory” coordinating the PI controllers to address the real-time control tasks. Despite the kernel of the two modules is the same algorithm, their roles, tasks, and capabilities are quite different. A detailed description of the role of FARM at addressing low-level control tasks is provided, along with tentative operational procedures for training the models embedded into the algorithm by using the collected experimental data.

42 ENGINEERING↗
DOE OSTI2023

NIMROD Development AND Applications for Advanced Simulations of Tokamak Plasmas

Magnetic fusion experiments have the largest gradients in the world that are in steady state. These gradients lead to instabilities, and thus, most of plasma theory over the past four decades have been devoted to the development of instability theory and their use in interpreting plasma results. Instabilities in tokamaks lead to 3 different phenomenological outcomes: coherent saturation, turbulent saturation, and sudden relaxation (which may include disruptions). For long-wavelength instabilities, the NIMROD extended MHD code has emerged as an important tool for understanding tokamak instabilities. Because of the long history of NIMROD, a new version of it has been started at Tech-X to be able to address multi-species capabilities as well as exploit modern GPU systems. The new version builds on the previous version and improves the workflow by enabling new equilibria from experiments to be resolved. The fundamental formulation of the equations underlying NIMROD has also been explored in multiples ways. First, understanding instabilities in tokamaks through numerical methods is aided by being able to understand the rich history of analytic studies. A paper was published which aid in understanding the literature by simplifying some of the analytic machinery inherent in these studies. Extended MHD, like gyrokinetics, are quasineutral models. From a theoretical point of view, plasma quasineutrality approximation is best understood as the same as the magneto-quasistatic approximation of the Maxwell equations. Finally, the standard model of tokamak theory is that of instability theory. A simple dynamical systems model has been developed to better illustrate the strengths and weaknesses of this model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

A Probabilistic Approach To Selecting Build Configurations in Package Managers

In the past decade software has grown significantly in complexity and scale. Likewise the number of dependencies for most software has increased with typical software packages depending on tens to hundreds of other packages. Such large numbers of dependencies place a significant burden on package managers to correctly maintain dependency lists and constraints between them. Due to this package managers have incorporated sophisticated tooling such as SAT solvers into their dependency management mechanisms. Despite these tools package managers still rely on many human annotated constraints for dependency and version selection. These are error-prone and require a significant amount of labor to constantly update and test. In this paper we propose a methodology to make use of historical build results in selecting the version for package dependencies. Our method utilizes the flexibility of the Spack package manager’s heavily parameterized package configurations to incorporate a machine learning model trained to predict the probability of build outcomes. This work is able to build and install packages with a 13% higher success rate than the default version selection mechanism in Spack.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

HIGHLY-EFFICIENT 20-MW L-BAND MULTI-BEAM KLYSTRON

The overall goal of this project was to develop and demonstrate a novel two-stage multi-beam klystron (TS-MBK) for use in accelerator, medical, national security, medical, and environmental cleanup applications. The novelties embodied in the TS-MBK design include use of hollow beams to obtain strong coupling to cavities, and post acceleration after bunching to reduce the beam’s energy spread to allow an exceptional electronic efficiency that we predict can reach 90%. During Phase I of this project, Omega-P R&D refined its conceptual design of the 1.0 GHz TS-MBK, and collector design and cooling requirements for several levels of average power output. If, as was the case, it turned out that estimated costs for fabrication and testing of a full 12-beam TS-MBK prototype would exceed available Phase II funding, our Plan-B would have be adopted. In it, a single-beam version would have been designed and built, with all specifications identical to the 12-beam version, except that the average power level would be reduced by a factor of about 12. This one-beam version would still allow evaluation of the efficacy of our design concept for implementing two stages, including prevention of radiation loss at the HV gap, and for demonstrating the predicted 90% electronic efficiency and the absence of reflected electrons from the collector reaching the cathodes. But the absence of the expected industrial partner in further development of this novel RF source made it impractical for advancing the project into Phase II.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Demonstrate FARM supervisory capabilities for a thermal energy storage problem for the DETAIL facility: IES Simulation Ecosystem Control System Development

The goal of the power dispatch problem for an Integrated Energy System (IES) is to adjust the power output and the heat flow of each component to maximize the profitability of the whole unit. Facilities that can integrate real-time digital signals, mock nuclear power, thermal energy storage and industrial heat use via high-temperature electrolysis were constructed at INL to support the research activities. The Dynamic Energy Technology and Integration Laboratory (DETAIL) houses the Microreactor Agile Non-nuclear Experimental Test Bed (MAGNET) and the Thermal Energy Distribution System (TEDS). In this report, the hierarchical control system architecture proposed in June 2023 milestone for the flexible operation of DETAIL facility is finalized and demonstrated. A brief description of the components and the corresponding Dymola models from the HYRBID repository is first provided. Then, the current control strategy is presented. In particular, the approach for generating the set-point trajectories to be fed to the PI controllers is analyzed, and its limits were identified. To preserve safe operation over both long-time and real-time horizons, the integration of a Supervisory Control layer embedding a modified version of FARM (Feasible Actuator Range Modifier) module is proposed. FARM is a component of the RAVEN-based FORCE framework designed to support HERON module at optimizing the operation of IES units. The proposed control system for DETAIL foresees FARM to be applied twice, i.e., the original version (“FARM-Validator”) aiding the solution of the power dispatch problem, and a modified version (“FARM-Supervisory”) coordinating the PID controllers. Despite the kernel of the two modules is the same, their tasks are quite different. The former intervenes at the beginning of each hour to prevent constraint violations over long time periods, the latter addresses real-time control tasks and monitors the response of constrained variables at a much finer time resolution. A tentative procedure for training the embedded Digital Twins with the experimental data is also proposed. Finally, the capabilities of the designed architecture and the impact of the added Supervisory Control layer are demonstrated by simulating a representative power dispatch scenario.

25 ENERGY STORAGE↗
DOE OSTI2022

WBG-Enabled Current-Source Inverters for Integrated PM Motor Drives

This project takes advantage of the special capabilities of wide-bandgap (WBG) power semiconductor devices to develop innovative power electronics in the form of new current-source inverters (CSIs) that offer promising advantages over the dominant voltage-source inverter (VSI) topology. These CSIs, in turn, are extremely well-suited for integration into the housings of permanent magnet synchronous machines (PMSMs) to form integrated motor drives (IMDs). These new IMDs offer great promise for achieving major energy savings in a wide variety of applications that benefit from adjustable-speed control, including air conditioners, laundry appliances, industrial pumps/compressors, electric vehicles, and aerospace drives. WBG devices play a critical enabling role in these new IMDs because of their transformative features including much higher switching frequencies, lower losses, and compatibility with high operating temperatures. When incorporated into new CSI-based IMDs with PM machines, these WBG switches open the door to achieving major increases in power density, drive system efficiency, and fault tolerance, as well as substantial reductions in electromagnetic interference (EMI), manufacturing cost, and temperature-induced failures. The higher operating temperature capability of WBG devices compared to conventional silicon power devices is very appealing in IMD applications because the power electronics is mounted in close proximity to the motors which typically operate at temperatures well above the maximum limits of today’s silicon-based power electronics. This project has succeeded in designing, building, and testing multiple prototype versions of this CSI-IMD that have overcome many technical challenges in order to demonstrate the impressive performance improvements that can be achieved by the WBG-enabled CSI-IMD. The preliminary demo and bench-top versions of the current-source inverter developed during the first two years of the project were critical to laying the technical foundations for the 3 kW prototype CSI-IMD unit that was successfully built and tested during the third year. This prototype CSI-IMD unit was designed to fit within the housing envelope of the original permanent magnet (PM) synchronous machine in order to meet the demanding power density requirements that were set at the beginning of the project. All of the remaining performance objectives set for the prototype CSI-IMD unit including efficiency and electromagnetic interference (EMI) were also met. The last 18 months of the project were devoted to developing further enhancements of the WBG-enabled CSI-IMD technology that better prepare it for commercial production. More specifically, an upgraded version of the prototype CSI-IMD unit was developed that moved the power electronics into the same machine housing chamber as the motor, substantially raising the thermal demands on the power electronics. Tests with five different combinations of motor enclosure types and air cooling configurations were evaluated. Importantly, this work confirmed that the power electronics can deliver its full rated power and still operate well within its maximum temperature limits even for worst-case conditions when the housing is “totally-enclosed” without any openings for air to enter or exit the enclosure, and no blower/fan is provided to blow air over the outside surface of the enclosure. Reaching the full performance and energy-savings potential of this disruptive CSI-IMD motor drive technology is highly consistent with ARPA-E’s stated mission to “enhance the economic and energy security of the United States” while also supporting its commitment to “ensure that the U.S. maintains a technological lead in developing and deploying advanced energy technologies”. Follow-on projects are under way to explore the scalability of WBG-enabled CSI-IMD technology to 100 kW (peak) electric vehicle traction drives and fault-tolerant modular motor drives for future electrified aircraft propulsion applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Gamma Source Verification for GAMSRC and GAMSOR

Nuclear reactors that rely upon the fission reaction have two modes of thermal energy deposition in the reactor system: neutron absorption and gamma absorption. The gamma rays are typically generated by neutron capture reactions or during the fission process which means the primary driver of energy production is of course the neutron interactions. The GAMSOR program was first built in the mid 1980s to properly account for the gamma heating in an operating reactor core on core internals. The GAMSOR code is sequence of DIF3D calculations to compute the neutron and gamma flux and combine them to define both the neutron and gamma heating throughout the modeled domain. The goal of this manuscript is to present the software verification of GAMSOR. The first step of the GAMSOR sequence of calculations involves of a modified version of DIF3D (called DIF3D-GAMSOR) which generates a gamma source distribution for the follow-on DIF3D gamma transport calculation (step 2). This modified version of DIF3D increases the burden of maintenance and verification work on GAMSOR as one must reverify the DIF3D capabilities which is undesirable. Because the calculation of the gamma source is the only unique aspect of GAMSOR beyond the regular DIF3D capabilities, that part was put in a standalone code called GAMSRC such that one can use the verified DIF3D code in step 1 followed by GAMSRC to carry out the same GAMSOR calculation step. As a consequence, this manuscript is focused on verification of the gamma source files generated by GAMSRC. The verification of the modified version of DIF3D (DIF3D-GAMSOR) will be done less rigorously in that it will be verified that it produces the same output that GAMSRC does and thus GAMSRC is equivalent to GAMSOR on the problems studied here. Hand calculations and independent numerical calculations of the gamma source generation are used for the verification work. This work follows the same methodology of GAMSRC. As expected, the results agree well with those calculated by GAMSRC as will be shown.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Development of Self-Assembly Supports Enabling Transformational Membrane Performance for Cost-Effective Carbon Capture

This final technical report describes work conducted by Membrane Technology and Research, Inc. (MTR) for the U.S. Department of Energy (DOE), National Energy Technology Lab (NETL) on the development of membranes with transformational performance for carbon capture under award number DE-FE0031596. The work was performed from June 1, 2018 through May 31, 2024. For more than a decade, MTR has worked in partnership with DOE to develop an innovative membrane-based CO 2 capture process. This effort has included the first test of membrane modules with coal-fired flue gas at the Arizona Public Services (APS) Cholla plant in 2010; the accumulation of >11,000 hours of flue gas operation for Polaris modules on a bench-scale 1 tonne/day (TPD) system at the National Carbon Capture Center (NCCC); scale-up of first-generation (Gen-1) Polaris to a 20 TPD small pilot system, and successful operation of this system on a flue gas slipstream at NCCC and in integrated boiler testing at Babcock & Wilcox (B&W). Through continued development efforts, a second-generation (Gen-2) version of the Polaris membrane has been scaled-up to pilot production. This membrane offers 70% higher CO 2 permeance with similar selectivity to the base case Polaris. MTR also developed planar modules designed specifically for the low-pressure, high-volumetric flow rate process conditions of flue gas operation. These new modules have significantly lower pressure-drop values compared to the type originally used (spiral-wound modules), which results in significant energy savings. The goal of the work described in this report was to improve on the Polaris Gen-2 membrane with the ultimate aim to reduce the cost of carbon capture. The majority of the effort was to develop improved support membranes for the multi-layer composite structure of MTR’s Polaris membrane. Earlier work at MTR had identified the support structure as limiting membrane permeances, not because the support itself represents a permeation resistance, but because the distribution of pores at the surface of the support imposes a geometric restriction to diffusion in the layers above it. Support membranes were prepared from a range of polymers, including commercially available block copolymers and a custom synthesized block copolymer alternative. The best support membranes developed in this project reduced the geometric restriction by a factor of two to three. These supports then were used to produce Polaris composite membranes with improved permeances. The second topic was to create a high-selectivity version of the Polaris membrane. The high-selectivity version uses a novel selective polymeric material and high selectivities were confirmed in experiments at MTR. The material is not easily made into very thin films. Consequently, the permeances are significantly lower than the Polaris Gen-2 membrane. The utility of this membrane is therefore limited to the carbon dioxide purification step that produces liquid CO 2 . A Technical and Economic Analysis (TEA) was performed for a carbon capture system that uses both advanced membrane types. The TEA shows the novel advanced membranes reduce the cost of capture by 10%, from $63.32/tonne CO 2 to $56.90/tonne CO 2 (2022 USD). Most of the development work was carried out with laboratory-scale casting and coating equipment. A number, but not all, of the improvements identified have been implemented on commercial-scale manufacturing equipment. The focus of future work at MTR is to incorporate the advancements made into the Polaris membrane manufacturing process.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Passivated Contacts for Direct Wafer Product (Final Technical Report)

This TCF project developed a thin-oxide (SiO 2 )/polycrystalline silicon (poly-Si) passivated contact solar cell on CubicPV's (formally 1366 Technologies, Inc.) Direct Wafer® Product (DWP) kerfless wafers. The project used two NREL-developed technologies described in U.S. Patent No. 9,911,873, Hydrogenation of Passivated Contacts and U.S. Patent Application Serial No. 15/890,172, Doped Passivated Contacts . The project was motivated by a potential higher efficiency cell (compared to a PERC cell) using passivated contacts on the ultra-low cost kerfless wafers grown using the Direct Wafer process. The hope was to accelerate market adoption of the cell and wafer by delivering the lowest LCOE in the PV industry. The project tested both n-type and p-type SiO 2 /poly-Si passivated contacts grown by thermal oxidation and plasma enhanced chemical vapor deposition (PECVD) of the poly-Si layer on DWP with varying wafer resistivities. Both deposition techniques are industry standards and thus economically viable methods for commercializing the contacts. The results indicated that both n-type and p-type poly-Si passivated contacts can be formed on polycrystalline DWP wafers, but implied open-circuit voltages (i Voc ) were limited to below 0.65 mV (compared with ~ 730 mV on n-Cz wafers). Diffusion of H to the Si/SiO 2 /poly-Si interface was key to obtaining high i Voc values. In this study, H was diffused from a high-temperature SiN x layer deposited over the poly-Si layer during a high-temperature firing step, similar to one used for screen printed metals. The study concluded that poly-Si passivated contacts on DWP wafers passivated the surface of the wafers as well as PERC passivated surfaces, which use a less expensive dielectric layer stack. The project showed that Direct Wafer Product wafers grown by CubicPV could produce high i Voc values (~0.647 mV), which could produce a cell over 20% efficient with proper processing and metallization. These cells, though not economically viable in 2024 as a stand-alone cell, could be integrated with a wide-bandgap top solar cell to form a two-junction tandem cell that could be viable under certain circumstances. This is because the bottom cell of a 30%, two-terminal tandem only needs to be a 20% cell under one-sun conditions. Thus, the DWP could be an ideal low-cost wafer for tandems. The project also revealed that a TOPCon type cell could be formed on a p-type DWP wafer using a P-diffused emitter and a p-type poly-Si contact. In fact, the p-type version of the poly-Si contact out-performed the n-type version for a variety of wafer resistivities, from highly doped to lowly doped. This curiosity requires more work to understand because on Cz wafers, the n-type poly-Si contact is of much higher quality than the p-type version.

14 SOLAR ENERGY↗
DOE OSTI2023

Scoping Study for Fast Flux Testing in the Advanced Test Reactor

The value of fast spectrum reactors remains prominent in the nuclear technology portfolio. The performance of these reactors can be maximized with advancements in nuclear fuel technologies, but development of these technologies is currently held back by lack of fast spectrum test reactors available to the United States. Spectral modification of experiment positions in the thermal spectrum Advanced Test Reactor (ATR) has long been used to support fast reactor fuel development, but these methods have not been progressed to their full potential. This study investigated the use of concentric rings of aluminum-clad fuel plates in ATR flux traps and thermal neutron absorbing filters to increase fast neutron flux on test specimens. This concept was termed the Boosted Energy Advanced Spectrum Test (BEAST). This approach will enable irradiation of advanced fuel designs in prototypic-length fuel pins and representative flux environment to support post irradiation exams, enable transient testing, and produce the type of data that will permit lead test assembly irradiations in true Sodium Fast Reactors (SFRs) when they become available. Neutronic predictions were performed to investigate BEAST design options and thermal hydraulic models were produced to ensure feasibility of BEAST. Two versions were considered based on the geometric limitations of ATR’s small and large flux traps. The small version was found to be preferable due to slightly higher fast flux and fast-to-thermal neutron ratio. Perhaps more influentially, the small flux trap option was also preferred to avoid conflict with ongoing very high temperature reactor fuel irradiation programs in ATR’s large northeast flux trap. The small flux trap option provided less than half the test volume of the large version, but still had adequate volume for seven SFR pins in cross section which could be stacked two-high in ATR’s 1.2m long core to accommodate up to 14 EBR-II size pins. The preference for the small flux trap configuration should be revisited if additional collaborative test programs emerge with the need to irradiate a significant volume of additional specimens. Calculations were performed regarding a lithium deuteride ring to convert thermal neutrons into 14 MeV fusion neutrons. At the time this report was written these calculations were partially complete and it remains to be seen whether the concept would be worth including in BEAST. Given the preference for the small flux trap option, which does not afford enough room for the 14 MeV ring, it was concluded to defer future work on the lithium deuteride ring. This decision could be revisited if fusion material research programs emerge for collaborative testing in BEAST. A cadmium-lined specimen holder design was found to be adequate in filtering thermal neutrons and preferred over other neutron absorbers based on past experience with cadmium baskets. It was acknowledged that cadmium-bearing hardware would become depleted and need to be replaced occasionally, which appeared feasible from a mechanical design perspective. Neutronic studies investigated different enrichment levels in the booster fuel using uranium-molybdenum alloy dispersion fuel which has performed well in past ATR irradiations. Both options were able to drive fuel pins to SFR-like fission heating rates. The high enriched booster fuel option outperformed the low enriched option by ~20% on key metrics including fast flux and fast-to-thermal ratio, but the low enriched option was favored in order to broaden options for potential fuel suppliers. The preferred BEAST design options including cadmium filter with low enriched booster fuel in the small flux trap configuration was predicted to achieve 6.2E14 n/cm2sec fast flux (>0.1 MeV) with a fast-to-thermal ratio of 44.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Portable HCAL reconstruction in the CMS detector using the Alpaka library

CMS has deployed a number of different GPU algorithms at the High-Level Trigger (HLT) in Run 3. As the code base for GPU algorithms continues to grow, the burden for developing and maintaining separate implementations for GPU and CPU becomes increasingly challenging. To mitigate this, CMS has adopted the Alpaka (Abstraction Library for Parallel Kernel Acceleration) library as the performance portability solution to provide a single-code base for parallel execution on both GPUs and CPUs in CMS software (CMSSW). A direct CUDA version of HCAL energy reconstruction, called Minimization At Hcal, Iteratively (MAHI), has been deployed at the HLT in the 2022-2023 data taking period. This contribution will describe how the CUDA version is converted into a portable implementation using the Alpaka library. We will discuss the porting experience from CUDA to Alpaka, the validation process and the performance of the Alpaka version in CPU and GPU.

Kwok, Martin↗