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At least 1,603 records · Page 89

Water effects on NH 3 -SCR over Cu-based small-pore zeolite catalysts: A review

The selective catalytic reduction (SCR) of NO x with NH 3 as the reductant over small-pore Cu-zeolite catalysts is a leading strategy for controlling emissions from diesel engines and mobile sources. While the hydrothermal stability of Cu-zeolites such as Cu-SSZ-13, Cu-SAPO-34, and Cu-SSZ-39 has been extensively studied, the multifaceted role of water vapor under operating conditions has only recently received systematic attention. Water impacts multiple aspects of SCR catalysis, including NO x conversion, N 2 O formation, Cu ion speciation, redox kinetics, and surface reactions. This review comprehensively summarizes recent advances in understanding the effect of water on NH 3 -SCR over Cu-based catalysts. For Cu-SSZ-13, water vapor induces both inhibitory and promotive effects depending on temperature, Cu loading, and Si/Al ratio by altering NH 3 adsorption, Cu mobility, and redox half-cycle kinetics. Studies have revealed that water can suppress ammonium nitrate formation at low temperatures and enhance nitrate pathways at higher temperatures. Over Cu-SAPO-34, water promotes NO conversion by improving Cu(II) reducibility and strengthening Brønsted acidity. First-principles calculations confirm that water-coordinated Cu species lower O 2 activation barriers. In Cu-SSZ-39, water was found to facilitate Cu reduction, migration, and O 2 activation, resulting in superior water tolerance and unexpected catalytic promotion. Both experimental and computational studies highlight that water vapor exerts complex, catalyst-dependent effects on NH 3 -SCR performance, underscoring the need for tailored catalyst designs that leverage beneficial water interactions while minimizing inhibitory impacts.

Ammonia selective catalytic reduction↗

Systematic Evaluation of Atmospheric Forcing, Surface Datasets, and Mesh Effects on Kilometer-Scale Land Surface and River Modeling

Earth system models are advancing toward kilometer-scale resolution to capture local climate impacts and extremes. High-resolution land and river modeling depends on multiple factors, including mesh, surface datasets, and atmospheric forcing, but their relative effects at kilometer scales remain unquantified. We evaluated five Energy Exascale Earth System Model land and river configurations over the Mid-Atlantic region using two mesh (1/8° structured versus variable-resolution unstructured mesh), two surface datasets (default versus newly developed), and three atmospheric forcings (NLDAS2, MSWX, GSWP). Evaluation against satellite, reanalysis, and in situ benchmarks across water, energy, and carbon cycles quantifies how these factors affect model performance. Forcing selection produces the largest bias reductions (12-99% across variables), followed by surface datasets (7-75%) and mesh (up to 21%). Forcing effects vary by variable, with MSWX reducing biases for snow water equivalent, evapotranspiration, albedo, temperature, and gross primary productivity, GSWP for snow cover and runoff, and NLDAS for soil moisture and streamflow. The use of newly developed surface datasets improves gross primary productivity (58% bias reduction) and evapotranspiration but increase soil moisture and albedo biases due to current modeling limitations. Variable-resolution unstructured mesh improves the simulation of small-basin streamflow through better capturing drainage networks, though mesh minimally affects other land variables. These findings provide important guidance for high-resolution modeling development and actionable science.

Land and River modeling↗

Estimate long-term impact on battery degradation by considering electric vehicle real-world end-use factors

Many estimates of battery capacity degradation are based on accelerated lab tests that involve charge-discharge cycles or rely on data or electrochemical modeling. These methods are reasonable for technology benchmarking but rarely consider real-world end-use factors. To address this issue, this study develops the Battery Run-down under Electric Vehicle Operation (BREVO) model. It links the driver's travel pattern to physics-based battery degradation and powertrain energy consumption models. The model simulates the impacts of charging behavior, charging rate, driving patterns, and multiple energy management modules on battery capacity degradation. It finds that, over a 10-year timespan, firstly, for a random driver situated in the New England area, daily direct-current fast charging (60 kW) could lead to up to 22% less battery capacity when compared to daily Level-1 charging (1.8 kW). Second, the battery thermal management system can delay battery degradation by approximately 0.5% in the New England area. Third, warmer ambient temperatures enhance BEV battery usage. The model indicates that the battery capacity in the Los Angeles area is 6% higher than that in the New England area. The BREVO model provides crucial information for consumers and BEV manufacturers on range anxiety, BEV battery design, and decision support of battery warranty.

25 ENERGY STORAGE↗

Simulation of the NuScale SMR and Investigation of the Effect of Load-Following on Component Lifetimes

The NuScale SMR has been modelled using the Virtual Environment for Reactor Applications (VERA) multiphysics environment and the results compared with the publicly reported data in the Design Certification Application (DCA). The results show an excellent agreement for the compared axial and radial power distributions, temperature coefficients of reactivity, boron and control rod worths, and fast neutron flux. This NuScale model is then used to investigate the effect of different operational modes on reactor components to determine how flexible load-following operation may affect control rod and reactor pressure vessel (RPV) lifetimes. The control rod degradation is confirmed to primarily affect the silver-indium-cadmium (AIC) rod tip. The degradation rate is observed to follow a non-linear function of core power level where the increase in degradation decreases with insertion depth. For the variation in core power levels expected with current load-following schemes, the total control rod degradation is found to be mild, at 5-10% of usable life per cycle for a reactor operating at <80% power. Nonetheless, this enables load following strategies to be confirmed and/or modified to ensure that control rods do not need to be replaced during the 60+ year life of the reactor. The RPV degradation was found to be almost directly proportional to the core power level and was not overly sensitive to flux shape perturbations. Future work is planned using these damage functions to optimize operation over multiple NuScale SMR units and develop strategies for prognostics and health management.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

At least it is a dry cold: the global distribution of freeze–thaw and drought stress and the traits that may impart poly-tolerance in conifers

Abstract Conifers inhabit some of the most challenging landscapes where multiple abiotic stressors (e.g., aridity, freezing temperatures) often co-occur. Physiological tolerance to multiple stressors (‘poly-tolerance’) is thought to be rare because exposure to one stress generally limits responses to another through functional trade-offs. However, the capacity to exhibit poly-tolerance may be greater when combined abiotic stressors have similar physiological impacts, such as the disruption of hydraulic function imposed by drought or freezing. Here, we reviewed empirical data in light of theoretical expectations for conifer adaptations to drought and freeze–thaw cycles with particular attention to hydraulic traits of the stem and leaf. Additionally, we examined the commonality and spatial distribution of poly-stress along indices of these combined stressors. We found that locations with the highest values of our poly-stress index (PSi) are characterized by moderate drought and moderate freeze–thaw, and most of the global conifer distribution occupies areas of moderate poly-stress. Among traits examined, we found diverse responses to the stressors. Turgor loss point did not correlate with freeze–thaw or drought stress individually, but did with the PSi, albeit inverse to what was hypothesized. Leaf mass per area was more strongly linked with drought stress than the poly-stress and not at all with freeze–thaw stress. In stems, the water potential causing 50% loss of hydraulic conductivity became more negative with increasing drought stress and poly-stress but did not correlate with freeze–thaw stress. For these traits, we identified a striking lack of coverage for substantial portions of species ranges, particularly at the upper boundaries of their respective PSis, demonstrating a critical gap in our understanding of trait prevalence and plasticity along these stress gradients. Future research should investigate traits that confer tolerance to both freeze–thaw and drought stress in a wide range of species across broad geographic scales.

54 ENVIRONMENTAL SCIENCES↗

Modeling of Supercritical CO2 Shell-and-Tube Heat Exchangers Under Extreme Conditions. Part I: Correlation Development

Abstract High-temperature supercritical CO2 Brayton cycles are promising possibilities for future stationary power generation and hybrid electric propulsion applications. Heat exchangers are critical components in supercritical CO2 thermal cycles and require accurate correlations and comprehensive performance modeling under extreme temperatures and pressures. In this paper (Part I), new Colburn and friction factor correlations are developed to quantify shell-side heat transfer and friction characteristics of flow within heat exchangers in the shell-and-tube configuration. Using experimental and computational fluid dynamics (CFD) data sets from existing literature, multivariate regression analysis is conducted to achieve correlations that capture the effect of multiple critical geometric parameters. These correlations offer superior accuracy and versatility as compared to previous studies and predict the thermohydraulic performance of about 90% of the existing experimental and CFD data within ±15%. Supplementary thermohydraulic performance data are acquired from CFD simulations with supercritical CO2 as working fluid to validate the developed correlations and demonstrate its capability to be applied to supercrtical CO2 heat exchangers.

Engineering↗

Advanced Multi-Tube Mixer Combustion for 65% Efficiency (Final Report)

This project targeted advanced low NOx combustion for advanced gas turbines capable of 65%, or greater, efficiency in combined cycle application. This technology advancement has further potential to benefit gas turbines used in coal based IGCC applications with pre-combustion carbon capture and hydrogen as the resulting fuel. The program developed and synthesized the most advanced combustion system capable of achieving low NOX emissions up to turbine inlet temperatures of 3100F while also supporting the load-following needs of a modern grid. The combustion system contributes to the overall gas turbine efficiency goal by setting the maximum cycle temperature achievable for a given NOX level and by minimizing the through-combustor air flow pressure drop. Focus areas for this project targeted maximizing the turbine inlet temperature entitlement, as constrained by emissions considerations. The design also minimized parasitic air flow pressure drop by using advanced cooling techniques and performance materials selections and by minimizing hot surface area. These two technology objectives (maximum, emissions-compliant cycle temperature and minimum air flow pressure drop) were integrated into a prototype design. The primarily analytical project sought to identify the most promising technologies to meet these objectives. Additional critical “jugular” data were obtained from multi-tube mixer tests to realize the potential of leveraging “micro flames” for minimizing overall hot surface area. This data was used, in conjunction with an understanding of advanced material and cooling design technologies, to analytically develop multiple design concepts. Phase I focused on in-depth engineering analysis and design, with minimal supporting laboratory testing to enable a selection of the top three combustion architectures for achieving these overall objectives. Phase II of the program developed the selected design through a combination of sub-scale testing and analytical efforts. Early tests included a cold-flow cascade to establish aerodynamic performance characteristics and a sub-scale fired test at GE Global Research in Niskayuna, NY, to establish cooling and heat transfer characteristics in conjunction with combustion performance. The data from these tests validated the analytical models to ultimately design a full-scale, test article to evaluate at prototypical pressure and temperature conditions at GE Gas Power’s Gas Turbine Technology Laboratory in Greenville, SC. GE Gas Power also developed, tested, and recommended a suitable seal design to be applied to the unique features of the combustor. To assess the technology challenges from prospective future production of the combustor from a ceramic matrix composite material, screening tests of Environmental Barrier Coatings were completed.

20 FOSSIL-FUELED POWER PLANTS↗

Quantum cascade light emitting diodes based on type-2 quantum wells

The authors have demonstrated room-temperature CW operation of type-2 quantum cascade (QC) light emitting diodes at 4.2 (micro)m using InAs/InGaSb/InAlSb type-2 quantum wells. The type-2 QC configuration utilizes sequential multiple photon emissions in a staircase of coupled type-2 quantum wells. The device was grown by molecular beam epitaxy on a p-type GaSb substrate and was compared of 20 periods of active regions separated by digitally graded quantum well injection regions. The maximum average output power is about 250 (micro)W at 80 K, and 140 (micro)W at 300 K at a repetition rate of 1 kHz with a duty cycle of 50%.

Light Emitting Diodes↗

Blackbody Cavity for Calibrations at 200 to 273 K

A laboratory blackbody cavity has been designed and built for calibrating infrared radiometers used to measure radiant temperatures in the range from about 200 to about 273 K. In this below-room-temperature range, scattering of background infrared radiation from room-temperature surfaces could, potentially, contribute significantly to the spectral radiance of the blackbody cavity, thereby contributing a significant error to the radiant temperature used as the calibration value. The present blackbody cavity is of an established type in which multiple reflections from a combination of conical and cylindrical black-coated walls are exploited to obtain an effective emissivity greater than the emissivity value of the coating material on a flat exposed surface. The coating material in this case is a flat black paint that has an emissivity of approximately of 0.91 in the thermal spectral range and was selected over other, higher-emissivity materials because of its ability to withstand thermal cycling. We found many black coatings cracked and flaked after thermal cycling due to differences in the coefficient of expansion differences. On the basis of theoretical calculations, the effective emissivity is expected to approach 0.999. The cylindrical/conical shell enclosing the cavity is machined from copper, which is chosen for its high thermal conductivity. In use, the shell is oriented vertically, open end facing up, and inserted in a Dewar flask filled with isopropyl alcohol/dry-ice slush. A flange at the open end of the shell is supported by a thermally insulating ring on the lip of the Dewar flask. The slush cools the shell (and thus the black-body cavity) to the desired temperature. Typically, the slush starts at a temperature of about 194 K. The slush is stirred and warmed by bubbling dry air or nitrogen through it, thereby gradually increasing the temperature through the aforementioned calibration range during an interval of several hours. The temperature of the slush is monitored by use of a precise thermocouple probe.

Howell, Dane↗

Microprocessor control of multiple peak power tracking DC/DC converters for use with solar cell arrays

A method and an apparatus is provided for efficiently controlling the power output of a solar cell array string or a plurality of solar cell array strings to achieve a maximum amount of output power from the strings under varying conditions of use. Maximum power output from a solar array string is achieved through control of a pulse width modulated DC/DC buck converter which transfers power from a solar array to a load or battery bus. The input voltage from the solar array to the converter is controlled by a pulse width modulation duty cycle, which in turn is controlled by a differential signal controller. By periodically adjusting the control voltage up or down by a small amount and comparing the power on the load or bus with that generated at different voltage values a maximum power output voltage may be obtained. The system is totally modular and additional solar array strings may be added to the system simply by adding converter boards to the system and changing some constants in the controller's control routines.

Frederick, Martin E.↗

NGEE Arctic Authorship Guidelines

Authorship Guidelines were developed to help facilitate trust among team members as we span multiple institutions, scientific disciplines, and career stages. NGEE Arctic was built on a foundation of open science, data sharing, and collaboration. In Phase 4 of the project, it was particularly important to keep this foundation in mind as we develop new collaborations across the Arctic. Included in this package is one *.pdf. The Next-Generation Ecosystem Experiments in the Arctic (NGEE Arctic) project is a research effort to reduce uncertainty in the Department of Energy’s Energy Exascale Earth System Model (E3SM) by developing a predictive understanding of Arctic tundra ecosystems underlain by permafrost and to quantify feedbacks from the Arctic tundra to the Earth system. NGEE Arctic is supported by the Department of Energy's Office of Biological and Environmental Research. Over Phases 1–3, observations made by the NGEE Arctic team across a gradient of permafrost landscapes in Arctic Alaska improved the representation of tundra processes in the land surface component of E3SM (the E3SM Land Model, ELM). Model improvements emphasized unique aspects of permafrost environments and explored reductions in model complexity while retaining predictive power. The Arctic-informed ELM developed by NGEE Arctic has been used to make novel predictions on processes ranging from permafrost thaw to soil biogeochemical cycling to Earth system feedbacks associated with the unique characteristics of tundra plants. In Phase 4, the NGEE Arctic team is evaluating our new predictive understanding under novel conditions across the Arctic domain. In collaboration with partners at long-term pan-Arctic research sites we are examining whether an Arctic-informed ELM can faithfully simulate interactions among surface and subsurface processes at site, regional, and pan-Arctic scales. In turn, we are using variety of tools to dynamically extend and evaluate ELM inference, with an emphasis on data synthesis and pan-Arctic model evaluation, reintegration of code with an evolving E3SM, scaling across heterogeneous Arctic landscapes, and the appropriate representation of the impacts of increasingly frequent Arctic disturbances.

Iversen, Colleen [ORNL] (ORCID:0000000182933450)↗

Hotspot testing of glass/backsheet and glass/glass PV modules pre-stressed in extended thermal cycling

This paper investigates the effect of hotspot (HS) stress endurance of two of the latest designs of monocrystalline modules: a half-cell glass/backsheet (G/B) module and a full-cell glass/glass (G/G) module. These modules have already been pre-stressed in extended thermal cycling with 600 cycles per the IEC 61215 standard to represent field-stressed modules. This study differs from the other conventional studies wherein only fresh modules are subjected to hotspot endurance stress. The G/G module reached a maximum temperature of approximately 200 °C at a cell shading of 25 %, 55 °C higher than the maximum hotspot temperature of 145 °C in the G/B module. A significant burn mark, without glass shattering, was observed in the hotspot-stressed cell of the G/G module due to the current mismatch induced by partial shading. Most of the cells in the G/G module appear to be severely damaged (severe dark areas), as observed in the electroluminescence (EL) image, while the dark regions were rarely present in the G/B module. The EL image also illustrates multiple cell cracks that resist current flow and eventually contribute to the full-cell module degradation. About 8.3 % degradation in maximum power was observed for the G/G module and 1.3 % for the G/B module after the sequential stress tests. The lower degradation in the G/B module can potentially be attributed to its design, which comprises of two parallel strings, each having 72-half-cells and benefits from lower heat dissipation. Furthermore, this indicates that the half-cell design could potentially minimize the hotspot degradation and failures in crystalline-silicon modules.

14 SOLAR ENERGY↗

Multiple-Purpose Subsonic Naval Aircraft (MPSNA): Multiple Application Propfan Study (MAPS)

Study requirements, assumptions and guidelines were identified regarding carrier suitability, aircraft missions, technology availability, and propulsion considerations. Conceptual designs were executed for two missions, a full multimission aircraft and a minimum mission aircraft using three different propulsion systems, the UnDucted Fan (UDF), the Propfan and an advanced Turbofan. Detailed aircraft optimization was completed on those configurations yielding gross weight performance and carrier spot factors. Propfan STOVL conceptual designs were exercised also to show the effects of STOVL on gross weight, spot factor and cost. An advanced technology research plan was generated to identify additional investigation opportunities from an airframe contractors standpoint. Life cycle cost analysis was accomplished yielding a comparison of the UDF and propfan configurations against each other as well as against a turbofan with equivalent state of the art turbo-machinery.

Engelbeck, R. M.↗

A quantitative phase-field model for gas bubble evolution in UO2

Due to the large formation energy of vacancies and noble gas atoms in the form of interstitials or substitutional atoms in nuclear fuel (UO2), the thermodynamic equilibrium concentrations of these species are very low in the nuclear fuel matrix even at very high temperatures, which imposes difficulties upon the quantitative study of bubble evolution via the phase-field method. In this study, a quantitative phase-field model is proposed to deal with this problem. The system’s free energy density is derived according to the principles of thermodynamics, with consideration of the elastic effect and with the use of real material parameters from experiments. The model is useful for the study of the kinetics of gas bubble growth with very dilute concentrations of vacancy and gas atoms in the matrix. This model is applied to study single bubble growth and multiple bubble growth under various concentrations of vacancy and gas atoms and at various temperatures. The elastic effect and the effects of the generation rate of vacancies and gas atoms on bubble growth are analyzed.

low defect concentration, nuclear fuel, gas bubble↗

Inelastic Neutron Spectra of Uranium Tetrafluoride Hydrate, UF 4 (H 2 O) 2.5

Uranium tetrafluoride hydrate (UFH) is formed by immersing anhydrous UF4 under water for 12 h. UFH is therefore clearly a chemical species of environmental concern, as anhydrous UF4 is an intermediate uranium form in the nuclear fuel cycle. We use inelastic neutron scattering (INS) to probe the full vibrational spectra of UFH and its deuterated analogue in an effort to improve the fundamental understanding of its vibrational spectra. Coupled with density functional theory (DFT) calculations, the first for this compound, and full spectral modeling, we generate the complete vibrational spectra of UFH and compare them to prior optical spectroscopic results. In particular, the combination of DFT with INS allows us to identify multiple distinct chemical environments in the water bending and OH stretching regions. Whereas the water molecules directly bound to the U atoms execute OH stretching around 3600 cm –1 , a second class of H-bonded waters vibrate below 3000 cm –1 , an indicator of strong H bonding. In addition, a class of librational water modes are observed between 400 and 900 cm–1, which themselves can be separated in energy according to their chemical environments. Furthermore, measurements presented herein directly assist in the assignment of certain spectral features in the infrared spectrum and will inform future investigations of UFH for environmental or forensics purposes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Unraveling the CO Oxidation Mechanism over Highly Dispersed Pt Single Atom on Anatase TiO 2 (101)

Catalysts with noble metals deposited as single atoms on metal oxide supports have recently been studied extensively due to their maximized metal utilization and potential for performing difficult chemical conversions owing to their unique electronic properties. Understanding of the reaction mechanisms on supported single-metal atoms is still limited but is highly important for designing more efficient catalysts. In this study, we report the complexity of the CO oxidation reaction mechanism on Pt single atoms supported on anatase TiO 2 (Pt SA /a-TiO 2 ) by coupling density functional theory (DFT) calculations and microkinetic analysis with kinetic measurements, in situ/operando infrared, and X-ray absorption spectroscopies. Starting from the adsorbed Pt SA occupying an O vacancy induced by reductive pretreatment, we show that CO oxidation follows a complex mechanism consisting of initiation steps to reorganize the active site and multibranch reactive cycles, with the Pt SA /a-TiO 2 catalyst not returning to its initial configuration. The initiation step consists of CO and O 2 adsorption healing the O vacancy, followed by CO oxidation using gas-phase CO to form Pt(CO). The reactive cycle alternates O 2 adsorption and dissociation to oxidize the catalyst to Pt(O)(O)(CO) and branching pathways of competing Langmuir–Hinshelwood (LH)- or Eley–Rideal (ER)-type CO oxidation steps to reduce it again to Pt(CO). In situ/operando infrared experiments, including cryogenic CO adsorption and isotopic CO exchange, confirm the combined involvement of strongly adsorbed CO and gas-phase CO in an Eley–Rideal step along the reaction cycle. Microkinetic modeling shows that Pt single atoms are present in a mixture of Pt(CO), Pt(CO)(O 2 ), Pt(O)(CO)(O 2 ), and Pt(CO)(CO 3 ) structures as the main intermediates during steady-state CO oxidation, all having the C–O vibrational stretch close to the experimentally observed value of 2115 cm –1 . Microkinetic modeling also shows that the fractional orders of CO and O 2 measured experimentally originate from multiple steps with a high degree of rate control and not from a simple competitive adsorption. The results demonstrate the complex reaction pathways that even CO oxidation on a simple single-atom system can follow, providing mechanistic insights for designing efficient Pt-based single-atom catalysts. Here, we further show that microkinetic modeling results are sensitive to changes in energies of intermediate and transition states within errors of density functional theory, which can ultimately lead to incorrect conclusions regarding the reaction pathways and most abundant reaction intermediates if not accounted for by experiments.

36 MATERIALS SCIENCE↗

The TLK-ASF1 histone chaperone pathway plays a critical role in IL-1β–mediated AML progression

Identifying and targeting microenvironment-driven pathways that are active across acute myeloid leukemia (AML) genetic subtypes should allow the development of more broadly effective therapies. The proinflammatory cytokine interleukin-1β (IL-1β) is abundant in the AML microenvironment and promotes leukemic growth. Through RNA-sequencing analysis, we identify that IL-1β–upregulated ASF1B (antisilencing function-1B), a histone chaperone, in AML progenitors compared with healthy progenitors. ASF1B, along with its paralogous protein ASF1A, recruits H3-H4 histones onto the replication fork during S-phase, a process regulated by Tousled-like kinase 1 and 2 (TLKs). Although ASF1s and TLKs are known to be overexpressed in multiple solid tumors and associated with poor prognosis, their functional roles in hematopoiesis and inflammation-driven leukemia remain unexplored. In this study, we identify that ASF1s and TLKs are overexpressed in multiple genetic subtypes of AML. We demonstrate that depletion of ASF1s significantly reduces leukemic cell growth in both in vitro and in vivo models using human cells. Using a murine model, we show that overexpression of ASF1B accelerates leukemia progression. Moreover, Asf1b or Tlk2 deletion delayed leukemia progression, whereas these proteins are dispensable for normal hematopoiesis. Through proteomics and phosphoproteomics analyses, we uncover that the TLK-ASF1 pathway promotes leukemogenesis by affecting the cell cycle and DNA damage pathways. Collectively, our findings identify the TLK1-ASF1 pathway as a novel mediator of inflammatory signaling and a promising therapeutic target for AML treatment across diverse genetic subtypes. Finally, selective inhibition of this pathway offers potential opportunities to intervene effectively, address intratumoral heterogeneity, and ultimately improve clinical outcomes in AML.

60 APPLIED LIFE SCIENCES↗

Modeling, Performance Assessment, and Nodal Data Analysis of TRISO-Fueled Systems with Shift

This technical report documents several enhancements to the Shift Monte Carlo (MC) code under the US Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in fiscal year (FY) 2022. Performance enhancements were added to Shift specifically for tristructural isotropic (TRISO)–fueled reactor systems and guided based on performance analysis in FY 2021. For the pebble performance model developed in previous studies, the runtime improved by ~ 91× compared to the original model and ~ 2× compared to the user-optimized model. Compared to Serpent, Shift is ~ 3× slower if Serpent delta-tracking is enabled but ~ 2× faster when delta-tracking is disabled. The multigroup cross section generation was improved through simplifying tally input definitions, porting several post-processing tally operations from Python scripts into the Shift code base, and accounting for production reactions in the scattering multiplicity. Progress was also made on two emerging capabilities: (1) the development of Titan (a Shift reactor physics user interface) and (2) initial investigation into path-length tallies for computing multigroup scattering matrices.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗