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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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At least 289 records · Page 16

Remarkable self-degradation of Cu/SAPO-34 selective catalytic reduction catalysts during storage at ambient conditions

A model Cu/SAPO-34 SCR catalyst with all Cu species maintained as isolated Cu(II) ions is synthesized herein. Following lengthy storage on the shelf under ambient conditions, this catalyst completely and irreversibly deactivates upon any heat treatments above ~100 °C. Via detailed characterizations with surface area/pore volume analysis, XRD, H 2 -TPR, and 27 Al, 29 Si and 31 P solid-state NMR, as well as continuous wave and pulsed EPR studies, it is concluded that over the course of storage, the SCR active sites [Cu(OH)] + and Brønsted acid sites ≡Si-O(H)-Al≡ are attacked by H 2 O molecules trapped in the SAPO-34 framework pores, and undergo hydrolysis to form copper hydroxide and terminal Al sites. Upon thermal treatment, these species interact with each other to form copper-aluminate-like species, leading to irreversible deactivation of this catalyst. This deactivation mechanism does not require or necessarily lead to extensive degradation (i.e., crystallinity loss) of the SAPO-34 support.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Role of edge-localized neoclassical tearing modes in quiescent H-mode plasmas in the DIII-D tokamak

The edge-harmonic oscillations (EHOs) in standard quiescent H-mode (QH-mode) plasmas in DIII-D are consistent with edge-localized neoclassical tearing modes (NTMs) based on nonlinear two-fluid MHD simulations. Using kinetic equilibria constrained by edge profile measurements, the MHD simulations show that the n = 1 NTM and its harmonics can be destabilized at the pedestal top of QH-mode plasma by the edge bootstrap current. The simulations further show that the unstable NTMs can saturate either at small (<2% ψ N ) or large (>4% ψ N ) island width depending on the magnitude of the edge bootstrap current, where ψ N is the normalized radius in poloidal flux. The onset of the EHO also results in a prompt decrease in the pedestal width and height, consistent with simulation results for the onset of the NTM at the top of the QH-mode pedestal. This suggests that the avoidance of edge-localized modes (ELMs) in QH-mode can be attributed to the enhanced local transport induced by the NTM that is sufficient to prevent the expansion of the pedestal to an unstable width, analogous to the mechanism explored for ELM suppression by resonant magnetic perturbations. Nonlinear MHD simulations scanning the E × B frequency and the ratio of parallel and perpendicular thermal diffusivity (χ | /χ ⊥ ) at the pedestal top show that edge-localized NTMs are destabilized for conditions of high E × B frequency, high pedestal temperature, and low pedestal density, qualitatively consistent with experimental conditions required for observing the EHO.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Developing the hybrid scenario in DIII-D and KSTAR for W-compatible long-pulse operation

Long-pulse, high-performance operation with tungsten plasma-facing components is a crucial challenge for achieving steady-state (SS) goals in ITER and future fusion devices. This paper presents a joint international effort between the DIII-D and KSTAR tokamaks aimed at demonstrating the compatibility of the high q 95 ~ 6 hybrid scenario with a tungsten divertor and superconducting coils. A DIII-D hybrid scenario recipe is successfully tailored to KSTAR’s operational constraints, which facilitates cross-device studies. The results show successful 30 s long-pulse operation in KSTAR at a normalized beta (β N = 2.4) with a benign m/n = 4/3 mode and effective mitigation of tungsten accumulation. Despite this success, the KSTAR scenario exhibits a greater than 25% reduction in thermal confinement compared to the DIII-D reference. To investigate this discrepancy, we performed a predictive TGYRO validation study, which suggests that the difference is likely caused by a weaker temperature pedestal in the KSTAR discharge due to a higher and narrower density pedestal. In addition, such lower thermal confinement leads to higher impurity accumulation, possibly due to a change in neoclassical transport with increased inward pinch, which further degrades global confinement. We also report that stationary, long-pulse operation with sustained thermal confinement requires consistent fueling and wall conditioning. These findings highlight the importance of optimized fueling and real-time wall conditioning in achieving a high temperature pedestal and strong global confinement during stable long-pulse operation. We propose potential approaches toward fully SS, long-pulse operation, including real-time wall conditioning using an impurity dropper in KSTAR and future tokamaks.

DIII-D↗

Review of Tools for Modeling Core Radial Expansion in Liquid Metal-Cooled Fast Reactors

Core radial expansion in liquid-metal cooled fast reactor systems is a well-known phenomenon that produces strong reactivity feedback effects. It is crucial from a safety standpoint to design a reactor with the proper core restraint system to guide expansion of the fuel assemblies into a formation that produces negative reactivity feedback in accident conditions. However, the modeling of core radial expansion and its associated reactivity feedback is extremely challenging. Liquid metal-cooled fast reactor designers (both industry and commercial) have pointed to improved modeling of core radial expansion as a key modeling challenge for these types of reactors. The Department of Energy Nuclear Energy Advanced Modeling and Simulation (DOE-NEAMS) program has an important role to play in helping to develop a robust, predictive tool for this phenomenon. A literature review has been performed to identify current simulation capabilities applicable to the prediction of core radial expansion in liquid metal-cooled fast reactors and the resultant reactivity feedback effects. An overview as well as a detailed description of the multi-physics phenomena underlying core radial expansion is given in the first two chapters. The objective of this report is to identify existing software that has been or could be applied to the core radial expansion problem, and then to identify possible paths to develop a robust, coupled Multiphysics tool for advanced analysis, in which all three physics (radiation transport, structural mechanics, thermal fluids) are taken into account considering feedback effects from each physics to the other. Several computer codes and workflows have been developed in the United States and abroad to perform individual aspects of radial expansion calculations or to perform loosely coupled analysis. No code system currently exists which tightly and robustly couples the neutronics, thermal hydraulics, and thermal mechanical physics with enough detail to fully resolve the complex core radial expansion reactivity feedback effects. The future availability of such a code system is of vital importance to fully understanding the reactivity feedback effects that occur due to radial expansion, and consequently to optimizing the design of the core restraint system. A potential code development path forward using MOOSE-based tools is suggested in order to leverage the natural tight coupling and robustness of MOOSE-based applications. Additionally, potential gaps for modeling and common assumptions are listed which require further investigation to ensure accuracy for prediction of deformations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

5.5 Hybrid Additively Manufactured Tooling for Large Composite Structures

This program sought to lower tooling costs for tightly toleranced, large composite aerostructures by using large format additive manufacturing (LFAM). LFAM tooling has the potential to lower tooling costs, but the large and unpredictable thermal expansion of polymer-based tooling did not previously allow for the production of large structures made with high performance resins requiring 350 deg F cures. Geometric tolerance issues and demolding concerns continued to arise. The proposed approach for this work was to print a thin shell via additive manufacturing that would be used as a scaffold for a conventional tooling prepreg. The prepreg would be laminated and cured onto both sides of the shell, creating a tool with a sandwich construction. The cured prepreg would then be machined and serve as the tooling surface. In addition to providing a clean, pit-free surface, the prepreg stiffness and low thermal expansion would physically restrain the AM shell and prevent it from expanding during thermal cycling, thus preventing any geometric mismatch between the nominal and actual part dimensions. A stair-step approach was taken to prove out this approach. Coupon level testing was done to ensure a good bond was possible between the AM shell and the tooling prepreg. These samples were also used to determine the amount of prepreg needed to achieve the desired coefficient of thermal expansion (CTE). The project team than progressed to a subscale tool measuring two feet in length. The geometry used was a C-section spar from Airbus’ Wing of Tomorrow program. A hybrid tool, using the AM shell and tooling prepreg, was made, and a composite part was fabricated with the tool. Dimensional scans of the tool and part indicated that the desired CTE was achieved with the tool. A second tooling approach was taken to reduce risk. In this approach, a subscale tool of the same geometry as previously mentioned was created, but the tool was entirely constructed of the tooling prepreg. AM was used to print a “master” that was then used to fabricate the tool by creating a splash off of the master using tooling prepreg. The innovation was that the master was not machined, but rather, was used right off the printer after a small amount of surface preparation. Removing this machining step was thought to make this approach economically viable when compared to conventional master fabrication. As before, the tool was used to fabricate a part and tested for dimensional accuracy. For the conclusion of the program, a ten-foot tool was created using the hybrid tool approach. The geometry also came from the Airbus C-section spar previously mentioned. Some difficulty arose in accurately predicting the geometry of the tool after laminating the tooling prepreg, resulting in multiple material additions and a tool geometry change. A part was fabricated in an autoclave using the tool. A cost savings of almost 50% was achieved on the subscale tool in both the hybrid and master-style tool, but the savings dropped considerably as the tool length increased in the full-scale tool. Given the less than expected cost savings and added complexity of the tool construction, it is suggested that the master-style tool is best for immediate commercialization for larger tools (although it may be appropriate for smaller, table-top size tools). Since its construction is very similar to conventionally made composite tooling, there already exists a broad supply chain for building the tool, and project partner Additive Engineering Solutions (AES) is well acquainted with the design and build of the AM master needed.

36 MATERIALS SCIENCE↗

Impacts of processing decisions on TNSL cross sections and their applications

Thermal neutron scattering law (TNSL) data describe low-energy neutrons scattering off of bound materials, and can have a significant impact on modeling any system with slow neutrons, including nuclear reactors. Previous work to introduce TNSL data to neutron transport codes at LLNL focused on COG and TART, with the limitation that these codes require highly specialized data processing and formatting. We have recently increased efforts to process TNSL data with the LLNL nuclear data processing code FUDGE. FUDGE reads and writes the evaluated and processed files using the generalized nuclear database structure (GNDS). This process uncovered some significant difficulties in processing TNSL data, and unearthed assumptions made in current TNSL data processing that we have found inadequate. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Development of a phonon-based sampling method for thermal neutron scattering data

Simulations of reactor systems require access to accurate nuclear data. For many systems, thermal neutron scattering data can have large effects on the eigenvalue and neutron flux distributions. Inelastic thermal neutron scattering can excite or de-excite vibrational, rotational, and translational modes in a material, so thermal scattering evaluations are often obtained by summing over the number of phonons created/destroyed by a scattering event. In recent years, the thermal scattering cross sections and angular distributions have greatly improved in accuracy, but the format in which this data is delivered to simulation codes has remained virtually unchanged. Thermal scattering data is typically either compiled into large tables and sorted by incoming neutron energy, outgoing neutron energy, scattering angle, and material temperature, or represented as cumulative distribution functions of momentum exchange or energy exchange. Either method can be quite memory intensive when fine bins are used. In an effort to decrease the amount of space that processed thermal scattering data requires, an alternate format is proposed. The phonon-based sampling method introduced here can sample the number of phonons excited for each collision, the change in neutron energy, and the scattering angle while avoiding pre-computed angular bins and limiting the amount of data that is dependent on incoming energy. Through this method, the generation and storage of large interpolation tables is avoided, which could have benefits in both memory storage and accuracy. While the initial implementation of this method is slower than current alternatives, it is significantly more resistant to grid coarseness errors and has good potential for improvement. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The Schwinger-Keldysh coset construction

The coset construction is a tool for systematically building low energy effective actions for Nambu-Goldstone modes. This technique is typically used to compute time-ordered correlators appropriate for S-matrix computations for systems in their ground state. In this paper, we extend this technique to the Schwinger-Keldysh formalism, which enables one to calculate a wider variety of correlators and applies also to systems in a mixed state. We focus our attention on internal symmetries and demonstrate that, after identifying the appropriate symmetry breaking pattern, Schwinger-Keldysh effective actions for Nambu-Goldstone modes can be constructed using the standard rules of the coset construction. Particular emphasis is placed on the thermal state and ensuring that correlators satisfy the KMS relation. We also discuss explicitly the power counting scheme underlying our effective actions. We comment on the similarities and differences between our approach and others that have previously appeared in the literature. In particular, our prescription does not require the introduction of additional “diffusive” symmetries and retains the full non-linear structure generated by the coset construction. We conclude with a series of explicit examples, including a computation of the finite-temperature two-point functions of conserved spin currents in non-relativistic paramagnets, antiferromagnets, and ferromagnets. Along the way, we also clarify the discrete symmetries that set antiferromagnets apart from ferromagnets, and point out that the dynamical KMS symmetry must be implemented in different ways in these two systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Radially resolved active charge exchange measurements of the hydrogenic isotope fraction on DIII-D

Radially resolved hydrogenic isotope fraction measurement capabilities have been developed for DIII-D using the main-ion charge exchange recombination (MICER) spectroscopy system in preparation for mixed hydrogen and deuterium experiments. Constraints on the hydrogenic ion temperatures and velocities based on measurements of the impurity ion properties are required to accurately fit the spectrum. Corrections for cross sectional distortions, spatial smearing due to the halo, and a neoclassical offset between the impurity and hydrogenic toroidal rotation are applied to the constraints prior to fitting the MICER spectrum. Extensive atomic physics calculations have been performed using the FIDASIM code, which has recently been improved to allow simulations using mixtures of hydrogenic species. Overall, these results demonstrate that for the same plasma parameters, the Dα emission is 20%–30% brighter than Hα due to differences in rate coefficients associated with the different ion thermal velocities for the same temperature and therefore must be taken into consideration when calculating absolute densities. However, despite these differences, the absolute error when estimating the hydrogen isotope fraction [n H /(n H + n D )] by using the Hα radiance fraction [L Hα /(L Hα + L Dα )] is typically less than 5% due to the way the fraction is formed, making the radiance fraction a reasonably accurate estimate of the isotope fraction for most cases.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Kinetic corrections to heat-flow and Nernst advection for laser heated plasmas

Reduced models for approximating the impact of kinetic electron behavior on the transport of thermal energy and magnetic field are investigated. The thermal flux limiter has improved agreement with Vlasov–Fokker–Planck data when a harmonic form is used that adjusts the electron mean free path to account for electron–electron collisions; these results apply to both unmagnetized and magnetized plasmas. Once a magnetic field is incorporated, the mean free path should also be modified using the electron gyroradius. A flux limiter on Nernst advection of magnetic fields is also required; a form that limits Nernst by the same fraction as the thermal heat-flow best reproduces kinetic simulations. A flux limiter form for the cross terms (Righi–Leduc and cross-gradient-Nernst) is also suggested. Hohlraum simulations relevant to fusion experiments on the National Ignition Facility are found to be sensitive to all of these details.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Roadmap for thermal property measurements of Molten Salt Reactor systems

Thermal properties of molten salts, both with and without fissile and fertile material, are fundamental to modeling and simulation that supports design, construction, operation, and accident progression evaluation of molten salt reactors. This roadmap provides guidance to the research community on the types and amounts of required data for base, or carrier, salt systems, recommends simulated burnup fuel salt compositions to evaluate, and provides a technical foundation for a focused salt property evaluation matrix. The property values generated from both computation and experimental methods are used to develop models that constitute the Molten Salt Thermal Properties Database (MSTDB). While the building blocks of MSTDB are fundamental in nature, its data facilitates constructing engineering models that allow stakeholders to investigate the behavior of specific compositions of interest and supports broader modeling and simulation of MSRs through coupling to multi-physics, multi-scale mass accountancy tools.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Optimization of WAAM Process to Produce AUSC Components with Increased Service Life

Additive manufacturing has the potential to revolutionize industrial hardware and unlock efficiency gains through the fabrication of geometries and architectures not possible by conventional processing. Wire Arc Additive manufacturing (WAAM) process is a class of directed energy deposition process enabling higher build rate and allowing custom wire feedstock allowing spatial variation of microstructure. The larger spot size and lower speed creates a larger melt pool, reducing residual stress and often time creating directional/columnar microstructure for Ni-superalloy. The use of flexible platform provides freedom in deposition strategy, which can accommodate complex substrates, including feature addition onto existing structures, non-flat layers, and repair methods. However, the certification of the final component needs to match the strength requirement. Hence, the quality of the component produced is stringently monitored to avoid buildup of residual stress, cracks, porosity and to reduce detrimental segregated phases commonly observed during alloy solidification. Simulation plays a huge role in predicting the melt pool dimension and can be used to optimize the process parameter. Similar development is also required to perform physics-based modeling of microstructural development in WAAM that can predict the microstructural features during solidification and can be used to optimize the process more effectively. To move toward this goal, Raytheon Technologies Research Center together with Siemens worked to create a set of computational tools to control the process parameters, enable on-line measurements and acquisition with feedback to the optimized process parameters, and eventually track material evolution through each step of the additive process. Computational fluid dynamics is used for accurate prediction and calibration of the thermal field during WAAM process. and phase field models for microstructure evolution as a function of processing parameters to establish a connection between additive parameters and the final microstructure. Here we report cellular automata (CA) model development to predict the dendritic microstructure evolution with surface and bulk nuclei for single track and multiple layers. The CA model was developed to account for secondary element addition and predict segregation, local melting, and latent heat release as well as prediction of Euler angles from orientation information and validated against experiments. This framework was utilized to tailor spatially-varying composition in a part by appropriately controlling the microstructure evolution during the additive process. Functionally graded Haynes 282 alloy with high Cr content at the surface was tested for oxidation and mechanical properties. An advanced physics-based reaction-diffusion model predicting the simultaneous creation of chromium oxide and alumina is developed and validated to extend life expectancy of the WAAM manufactured high temperature part. A machine-learning data-driven framework establishing the process-structure relationship from a dataset of real microstructure images and corresponding process history data has been developed and implemented in the NX Siemens design system. The digital twin configuration along with the tool path generation enabled prediction of WAAM component buildup time and the techno-economic analysis provided a favorable option for all 4 cases with 15-40% cost reduction.

33 ADVANCED PROPULSION SYSTEMS↗

Testing Recommendations for Thermal Failure Analysis

Minimizing ranges of uncertainty in failure QOIs is vital for making informed engineering decisions. To improve our decision-making ability, it is necessary to have a QOI representation that captures more complex failure modes. Capturing the physics of complex time-dependent temperature failure in explicit detail can be computationally and experimentally expensive. To avoid this blooming of complication and costs, an empirical QOI component-level failure/damage model may be sufficient to help identify component-level failure. In this context, failure and damage are abstractions of more complicated processes that lead to the cessation of normal operating behavior, not a representation of mechanical damage, such as void formation. Such a model requires minimal increases in computational cost and experimental burden. The proposed QOI serves as an indicator that something has likely failed, similar to the previous critical failure temperatures or pressures. This QOI will not replace any existing failure QOIs. It will be calculated alongside them, allowing for preservation of legacy style QOI measurements with new context from the new QOI.

36 MATERIALS SCIENCE↗

One-sweep moment-based semi-implicit-explicit integration for gray thermal radiation transport

Thermal radiation transport (TRT) is a time dependent, high dimensional partial integro-differential equation. In practical applications such as inertial confinement fusion, TRT is coupled to other physics such as hydrodynamics, plasmas, etc., and the timescales one is interested in capturing are often much slower than the radiation timescale. As a result, TRT is treated implicitly, and due to its stiffness and high dimensionality, is often a dominant computational cost in multiphysics simulations. Here we develop a new approach for implicit-explicit (IMEX) integration of gray TRT in the deterministic SN setting, which requires only one sweep per stage, with the simplest first-order method requiring only one sweep per time step. The partitioning of equations is done via a moment-based high-order low-order formulation of TRT, where the streaming operator and first two moments are used to capture the asymptotic stiff regimes of the streaming limit and diffusion limit. Absorption-reemission is treated explicitly, and although stiff, is sufficiently damped by the implicit solve that we achieve stable accurate time integration without incorporating the coupling of the high order and low order equations implicitly. Due to nonlinear coupling of the high-order and low-order equations through temperature-dependent opacities, to facilitate IMEX partitioning and higher-order methods, we use a semi-implicit integration approach amenable to nonlinear partitions. In conclusion, results are demonstrated on thick Marshak and crooked pipe benchmark problems, demonstrating orders of magnitude improvement in accuracy and wallclock compared with the standard first-order implicit integration typically used.

97 MATHEMATICS AND COMPUTING↗

A second order yield-temperature relation for accurate inference of burn-averaged quantities in multi-species plasmas

Measured yields and ion temperatures inferred from the fusion product energy spectra can be used as metrics for the performance of an ICF implosion. This can be to infer species separation, thermal decoupling, flows or other effects that can cause the inferred ion temperatures to deviate from the true underlying thermal temperature and the yield ratio to deviate from the expected value. Direct inference of the impact of these effects on observed temperatures and yields can be difficult to uncover due to underlying dependence on the shape and time evolution of the temperature and density proles of the fusing plasma. Due to differences in the temperature dependence of the reactivities, different fusion products are emitted from different regions and times within the implosion. In order to properly account for this, a second order analytic expression relating the apparent temperatures and yield ratios is developed. This expression can be coupled to models of yield and/or temperature altering effects to infer their burn-averaged impact on an implosion. The second order expression shows significant improvement over lower order expressions in synthetic data studies. Demonstrations of its applications to synthetic data coupled with models of ion thermal decoupling and radial flows are presented. In the case of thermal decoupling both first and second order expressions show reasonable levels of accuracy. To consistently infer the amplitude of radial flow with <10% error the second order equation is required.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Study of recirculating liquid fuel in a 1D critical stationary system

Several studies have been conducted to investigate the physics of liquid fuel reactors, showing also applications with molten salts. A liquid nuclear fuel implies changes in the neutron balance equation to take into account the precursors' displacement and the emission of delayed neutrons in a different position than at the original fission. This requires to upgrade the computer codes normally used to calculate nuclear reactors using only solid fuel. In this work, we revisit a simple problem with liquid fuel, which is proposed for the verification of the numerical solutions obtained by advanced computer codes. This problem studies criticality with constant coefficients, thus neglecting thermal feedback. We elaborate on the analytical solution of the problem, deriving also a generalized eigenvalue problem by finite-volume integration over the cells of a discretized mesh to study the evolution of the dominance ratio with fuel velocity. Finally, we investigate the influence of the fuel velocity on the reactivity of the system. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Toroidal Field Reversing Switch

A motor-driven, high-current switch is being designed by Stäubli Electrical Connectors in collaboration with Princeton Plasma Physics Laboratory to reverse the DIII-D Toroidal field coil current. The existing field reversing procedure requires approximately 4 h of labor performed between run days to reconfigure the bus work, thus requiring a separate run day to complete experimental scans with both field directions. This typically results in different wall conditions which complicate the results or make them invalid. The proposed switch will complete the reversal process in approximately 4-5 min, between shots, so that wall conditions are not a factor, and easily fits within the 10-12 min DIII-D shot cycle. The switch is a compact design fitting into a 157.5 × 41 cm envelope. The switch uses two copper pins that slide between Stäubli MULTILAM contacts. The switch is rated for total current of 180-kA dc for 10 s with a 12-min repetition rate; the maximum operating coil current is 124-kA dc. The switch diagnostics include: voltage drop, current monitor, thermal monitors, position sensors, and motor torque. Here, the switch is rated for 300 cycles per year, and 3000 cycles overall before contact replacement, with contact inspection yearly. The design details and operation of the switch are covered in this article.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗