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DOE OSTI2025

Thermal Dynamics and Lithium Plating Detection in High‐Power Li‐Ion Batteries for eVTOL Applications

The rapid electrification of aerial transportation is driving the need for high‐performance Li‐ion batteries that can operate reliably under stringent thermal and safety constraints. The unique mission profile of electric Vertical Take‐off and Landing (eVTOL) aircraft necessitates a focused investigation into the thermal behavior and safety characteristics of these batteries. Here, in this study, operando isothermal microcalorimetry is employed to examine the thermal evolution of Li‐ion batteries under cycling conditions representative of eVTOL operations. These findings reveal that high‐power discharge events—such as those during take‐off and landing—shift the thermal response toward exothermic behavior, in contrast to the typically endothermic response expected under near‐equilibrium cycling conditions. Additionally, the results suggest that advanced electrolyte formulations may help suppress excess heat generation, thereby improving battery safety. Notably, the calorimetric results exhibit a distinct thermal signature associated with lithium plating, offering a potential diagnostic for detecting Li plating during eVTOL operation. Overall, this study demonstrates the utility of isothermal microcalorimetry as a valuable tool for assessing thermal risks in Li‐ion batteries for eVTOL applications, and highlights the importance of targeted design strategies to mitigate safety hazards during high‐power demand scenarios.

Li plating↗

DOE OSTI2024

Finding a common ground for RCM experiments. Part B: Benchmark study on ethanol ignition

Rapid compression machines (RCMs) are widely used to investigate gas phase reaction kinetics of various kind of fuels at application relevant conditions. In principle, the operation of an RCM is based on the idea of compressing a homogenous pre-mixed fuel-air mixture by a piston. Usually creviced pistons ensure a homogenous adiabatic core in the center of the reaction chamber which permits the assumption of an isentropic relation between the measured pressure and gas temperature. Despite the ideal core gas compression, non-ideal effects such as heat loss, differences in the compression behavior, and ultimately non-standardized design and operation of rapid compression machines lead to different experimental results in different facilities at nominally the same end of compression conditions. In this study ignition delay times of ethanol are investigated at four different conditions in five independent RCMs. As expected, the raw results of the different facilities indeed show notable differences at the same end of compression conditions. However, according to the adiabatic core hypothesis the agreement between kinetic simulations and experiments should be consistent for all facilities provided that the facility effects are correctly accounted for. To elaborate upon this hypothesis, a kinetic mechanism is optimized to reflect the experimental results of all facilities. In the end, the optimized mechanism predicts all experimental data within the expected uncertainty. This confirms the reliability of RCM experiments for kinetic investigations and the validity of the effective volume approach in simulating RCM data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

The Evolving Distribution of Relative Humidity Conditional Upon Daily Maximum Temperature in a Warming Climate

Abstract The impacts of heat waves in a warming climate depend not only on changing temperatures but also on changing humidity. Using 35 simulations from the Community Earth System Model Large Ensemble (CESM LENS), we investigate the long‐term evolution of the joint distribution of summer relative humidity (RH) and daily maximum temperature ( Tmax ) near four U.S. cities (New York City, Chicago, Phoenix, and New Orleans) under the high‐emissions Representative Concentration Pathway (RCP) 8.5. We estimate the conditional quantiles of RH given Tmax with quantile regression models, using functions of temperature for each city in July for three time periods (1990–2005, 2026–2035, and 2071–2080). Quality‐of‐fit diagnostics indicate that these models accurately estimate conditional quantiles for each city. As expected, each quantile of Tmax increases from 1990–2005 to 2071–2080, while mean RH decreases modestly. Conditional upon a fixed quantile of Tmax , the median and high quantiles of RH decrease, while those of the Heat Index (HI) and dew point both increase. This result suggests that, despite a modest decrease in median relative humidity, heat stress measured by metrics considering both humidity and temperature in a warming climate will increase faster than that measured by temperatures alone would indicate. For a fixed Tmax , the high quantiles of RH (and thus of HI and dew point) increase from 1990–2005 to 2071–2080 in all four cities. This result suggests that the heat stress of a day at a given Tmax will increase in a warming climate due to the increase of RH.

Yuan, Jiacan↗

DOE OSTI2023

Pressurized Water Reactor Control Rod Ejection Analysis Using PARCS, RELAP5-3D, and BISON for High Burnup Fuel

This paper describes safety assessment of high burnup fuel (HBF) during loss of coolant accidents (LOCA), reactivity-initiated accidents (RIA), and anticipated operational occurrences (AOOs) for Southern Nuclear’s Vogtle Electric Generating plant (VEGP). A goal of this project is to create a multiphysics modeling approach in aspects of thermal hydraulics, neutronics, and fuel performance, as well as to use it in combination with experimental studies (Figure 1). In support of the project, this paper seeks to address fuel performance of a HBF pin during steady state conditions and during a control rod ejection (CRE) scenario using a loose coupling of PARCS, RELAP5-3D, and BISON.. The primary goal of this work was to analyze high burnup fuel behavior during a CRE scenario. The results indicate fuel failure is not expected to occur under the conditions presented.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Toward improved thermal exposure classes for structural firefighters

In the early 1970s, there was an initial effort to quantify the conditions under which firefighters are expected to perform. Harvey Utech led this endeavor by defining three levels of thermal exposure—routine, ordinary, and emergency—which were characterized by combining a range of air temperatures and radiative heat fluxes. In the last half-century, there has been a concerted scientific effort to further understand the conditions to which firefighters are exposed during structural firefighting. Research has been conducted on the resiliency of turnout gear and facepiece lenses, the thermal conditions observed during a structure fire, and the impact of firefighter tactics such as ventilation and suppression. The authors synthesize the results from these research areas to update the original thermal classifications to six categories of exposure—routine, Ordinary I, Ordinary II, Emergency I, Emergency II, and Emergency III—which are more representative of the operating environment and protective equipment thresholds that firefighters should be aware of during firefighting operations and tactical decision-making.

Weinschenk, Craig↗

DOE OSTI2023

Coupling of CTF and RELAP5-3D Within an Enhanced Fidelity Nuclear Power Plant Simulator

A robust and accurate multiphysics engineering simulator is being developed to model the core behavior and system response of pressurized water reactors. This simulator relies on the NESTLE and CTF computer codes to model the neutronics and thermal hydraulics (TH), respectively, inside the core on a nodal scale and on the Reactor Excursion and Leak Analysis Program—Three Dimensional (RELAP5-3D) to model the entire nuclear steam supply system. The RELAP5-3D model includes highly detailed nodalization and multidimensional flow modeling throughout the vessel. Previously, pin-resolved data generated via the Virtual Environment for Reactor Analysis core simulator were used to improve the accuracy of the NESTLE core predictions. The engineering simulator being developed as part of this work uses the 3KEYMASTER platform to couple the enhanced NESTLE model to a nodal-fidelity CTF model to balance run time with accuracy; NESTLE provides node-dependent powers to CTF, and CTF provides node-dependent coolant densities and fuel temperatures to NESTLE.An overlapping domain approach is used for the core TH in which RELAP5-3D provides core boundary conditions based on the system response and CTF provides a node-dependent coolant heating rate to the RELAP5-3D core solution. In the preliminary TH demonstration discussed in this paper, CTF and RELAP5-3D provided similar steady-state core predictions, indicating the hydraulic compatibility between the codes, as well as reasonable and expected behavior under hypothetical transient conditions. This provides an initial step in ongoing efforts toward a robust, multiscale TH/neutronics engineering simulator capability.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Active populations and growth of soil microorganisms are framed by mean annual precipitation in three California annual grasslands

Climate influences soil microbial composition and function, but the relative importance of a site's historic climate versus its more immediate environmental conditions is unclear. Using quantitative stable isotope probing (qSIP), we characterized actively growing soil microbial communities and soil properties in three California annual grasslands that span a rainfall gradient and have developed on similar parent material. The soils were assayed in the wet winter season, when environmental conditions are most similar across sites. Since growing populations might be expected to be most responsive to contemporary environmental conditions, we hypothesized that the structure of growing microbial communities would be more similar across the gradient than that of total communities (i.e., including non-growing populations). In addition, we hypothesized that population growth rates would be slowest in the driest site, reflecting a legacy effect of low soil moisture on microbial growth. Soils along the rainfall gradient differed in pH, texture, and cation exchange capacity, but not in total C, C:N or dominant minerals. The radiocarbon (14C) age of soil C (reflecting turnover time) increased with mean annual precipitation but soil respiration was uniformly modern, reflecting microbial reliance on recent C inputs across the sites. The structure of both total and growing microbial communities differed across sites. Across major microbial phyla, including the Actinobacteria, Acidobacteria, Bacteroidetes, Gemmatimonadetes and Proteobacteria, bacterial growth rates were consistently lower in the site with the lowest mean annual precipitation. Taxa that were growing at the dry site alone grew more slowly than taxa that grew at multiple sites. These results reflect the influence of climate history and point to the role of environmental filtering at the driest site in shaping its slower growing microbial community, possibly reflecting adaptation to repeated exposure to water stress. Lastly, across taxa, the growth rate of a taxon at one site was correlated with its growth rate in the other sites. Furthermore, this growth rate coherence is likely a consequence of genetically determined physiological traits and is consistent with the idea that evolutionary history constrains growth rate.

Environmental filtering↗

DOE OSTI2024

Polarized dipole scattering amplitudes meet the valence quark model

The recently revised small- x helicity evolution [], resumming the double-logarithmic factor, α s ln 2 ( 1 / x ) , allows for the study of helicity distributions of quarks and gluons at small Bjorken x , corresponding to high center-of-mass energy. In this work, we calculate the moderate- x initial conditions in the regime, α s ln 2 ( 1 / x ) ∼ 1 , for the small- x helicity evolution using a light-front valence quark model of the proton, which provides additional physical information about the target. The perturbative emission and absorption of a gluon by the valence quarks are also included. The results, given in Eqs. (35), provide a new set of initial conditions with a significantly reduced number of free parameters than conventional models []. Consequently, the predictive power of small- x helicity evolution is expected to improve once the initial conditions from this work are incorporated. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Fast Muon Capture Monitoring in Mu2e with the CAPHRI Detector

The Mu2e experiment at Fermilab will search for the charged lepton flavor violating (CLFV) process of a neutrinoless muon-to-electron conversion in the field of an aluminum nucleus. Reaching the experiment’s target sensitivity requires precise normalization of the physics signal through accurate monitoring of the muon capture rate on the stopping target. For this purpose, the Calorimeter Precise High-Resolution Intensity detector (CAPHRI) has been developed. The detector is composed of four LYSO crystals installed in the upstream disk of the Mu2e calorimeter and read out with the standard calorimeter readout. CAPHRI measures the muon capture rate by detecting the characteristic 1.8~MeV gamma emission line of the $^{27}Al(\mu^−, \nu n \gamma) ^{26}Mg$ nuclear reaction. The fast, precise response enables injection-by-injection monitoring of proton beam intensity fluctuations. We report on the commissioning and performance characterization of CAPHRI. The response of each channel is calibrated at two SiPM overvoltages using both the intrinsic self-emission of the LYSO crystals and cosmic ray signals. In parallel, Monte Carlo simulations are used to evaluate the detector acceptance and the expected signal-to-background ratio under realistic running conditions. Preliminary results show a crystal light yield consistent with expectations and a channel inter-calibration at the 2--4% level. Simulation studies indicate that the detector acceptance and background rejection satisfy the requirements for physics operations, with about 1000 detected events per beam injection at a beam power of 1.5~kW. These results demonstrate that CAPHRI is an effective tool for beam monitoring and signal normalization in Mu2e.

Ciccarella, V. [Frascati; U. Rome La Sapienza (mai↗

DOE OSTI2020

Shear Behavior of Artificial Clay Seams within Bedded Salt Structures

Bedded salt contains thin layers of clay, also known as clay seams, in-between far thicker layers of salt. These inhomogeneities are thought to have first-order effects on the closure of nearby drifts and potential roof collapses. Despite their importance, characterizations of the peak shear strength and residual shear strength of clay seams in salt are extremely rare in the published literature. A previous paper reported results from laboratory direct shear experiments on clay seam samples from the Permian Basin in New Mexico. These clay seams behaved similar to intact salt, which was attributed to the abundance of salt crystals intersecting the clay seams. None of those specimens contained a distinct ¼" - ½" (6 -12 mm) thick clay seam, as has been observed in drifts at the Waste Isolation Pilot Plant (WIPP). Due to the difficulty in obtaining WIPP samples with these types of clay seams, artificial seams of bentonite and brine sandwiched between sections of salt were created and shear tested. Eight 4" diameter samples were created with either a ¼" or ½" a thick seam and then consolidated at 3000 psi prior to shear testing. The direct shear tests on these samples were performed at nominal normal stresses representative of expected WIPP in-situ conditions (500 to 1500 psi). The resulting shear stress vs. shear displacement curves exhibited a peak followed by a gradual decay of shear strength. The shear stress never transitioned to a true residual shear stress plateau, so the final shear strength at the end of each test (0.75" of shear displacement) was analyzed instead. Both the peak shear strength and the final shear strength conformed to Mohr- Coulomb behavior with friction angles and cohesion strengths consistent with a saturated, highly consolidated, clay. These new artificial clay seam results and the previous clay-interspersed-with-salt results likely bound the expected shear behavior of WIPP clay seams.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

NREL’s Wind Turbine Drivetrain Condition Monitoring and Wind Plant Operation and Maintenance Research During the 2010s: A US Land-Based Perspective

The wind industry has seen tremendous growth during the past two decades, with the global cumulative installation capacity reaching more than 650 gigawatts by the end of 2019. Despite performance and reliability improvements of utility-scale wind turbines over the years, the industry still experiences premature component failures, leading to increased operation and maintenance (O&M) costs. Among various turbine components, gearboxes—and, more broadly, drivetrains—have shown to be costly to maintain throughout the design life of a wind turbine. The problem of premature component failure is industry wide. As early as 2007, the US Department of Energy (DOE) started to address this challenge through the National Renewable Energy Laboratory’s (NREL’s) reliability initiative that first focused on gearboxes and more recently expanded to entire drivetrains. The wind turbine drivetrain condition monitoring and wind plant O&M research that is the subject of this paper is part of the NREL initiative and includes a few research and development (R&D) activities conducted during the 2010s. These activities included technology evaluation during the first few years; novel monitoring technique investigation (specifically, compact filter analysis) during the middle years; and data and physics domain modeling for fault detection and prediction in recent years. A high-level summary of these activities is provided in this paper along with some key observations from each activity. Most of the work discussed has been published and can be referred to for more information. They reflect the expected evolution of wind turbine condition monitoring and O&M in the US market—primarily, a land-based perspective. In addition, we have identified several R&D opportunities that can be picked up by the research community to help industry advance in related areas, making wind power more cost competitive in the future.

17 WIND ENERGY↗

DOE OSTI2023

Disentangling natural and anthropogenic effects on benthic macroinvertebrate assemblages in western US streams

Abstract Stream macroinvertebrate assemblages are shaped by natural and human‐related factors that operate through complex hierarchical pathways. Quantifying these relationships can provide additional insights into stream ecological assessment. We applied a structural equation modeling framework to evaluate hypothesized pathways by which watershed, riparian, and in‐stream factors affect benthic macroinvertebrate condition in the Western Mountains (WMT) and Xeric (XER) ecoregions in the United States. We developed a conceptual model grounded in theory, empirical evidence, and expert opinion to evaluate the following hypotheses: (1) macroinvertebrate assemblages are primarily driven by proximal, in‐stream factors (e.g., water quality and physical habitat); (2) anthropogenic land uses affect macroinvertebrates indirectly by altering in‐stream characteristics; and (3) riparian vegetation cover attenuates land use effects. We tested our model separately on three measures of benthic macroinvertebrate assemblage condition: ratio of observed‐to‐expected taxonomic richness (O/E); a multimetric index (MMI); and richness of Ephemeroptera, Plecoptera, and Trichoptera taxa (EPT). In the WMT, site‐level riparian cover, in‐stream physical habitat (relative bed stability), and water chemistry (total nitrogen) were the top three predictors of macroinvertebrate assemblages, each having over two times the magnitude of effect on macroinvertebrates compared with watershed‐level predictors. In the arid XER, annual precipitation and stream flow characteristics were top predictors of macroinvertebrate assemblages and had similar magnitudes of effect as in‐stream water chemistry. Path analyses revealed that land use activities in the watershed and at the stream site degraded macroinvertebrate assemblages indirectly by altering relative bed stability, water quality, and riparian cover/complexity. Increased riparian cover was associated with greater macroinvertebrate condition by reducing land use impacts on stream flow, streambed substrate, and water quality, but the pathways differed among ecoregions. In the WMT, site‐level riparian cover affected macroinvertebrate assemblages partly through indirect pathways associated with greater streambed stability and reduced total nitrogen concentrations. In contrast, in the XER, watershed‐level riparian cover affected macroinvertebrate assemblages through greater specific stream power. Identifying the relative effects of and pathways by which natural and anthropogenic factors affect macroinvertebrates can serve as a framework for prioritizing management and conservation efforts.

Environmental Sciences & Ecology↗

DOE OSTI2024

Experimental Characterization Test of a Grid-Forming Inverter for Microgrid Applications

Standardized experimental testing protocols for grid forming (GFM) inverters to ensure expected operation under both normal and contingency conditions do not exist. Such protocols increase the confidence of system owner/operators that an inverter deployed in a proposed system will engage in typical behaviors to ensure interoperability with other units and ancillary equipment (e.g. protection equipment). This paper presents systematic and comprehensive test protocols to evaluate the performance of GFM inverters under the following operational configurations: islanded operation, heterogeneous islanded operation (parallel with a synchronous generator), grid-connected operation, and transition operation. A commercial GFM inverter is used to verify the test protocols and to understand the inverter's performance and functionalities. In particular, required configuration and tuning of the inverter will be explained in the full paper to enrich the testing protocol.

black start↗

DOE OSTI2024

Effect of Anoxic Iron Corrosion on WIPP Brine Geochemistry FY23 Final Report (U)

A 280-day study was completed to evaluate the effect of zero-valent iron (Fe 0 ) on the Waste Isolation Pilot Plant (WIPP) brine geochemistry under anticipated reducing conditions. Hydrogen (H 2 ) gas is expected to be present in the repository after closure due to the anoxic corrosion of a vast quantity of iron contained in the waste forms disposed at WIPP; therefore, a background argon atmosphere containing H 2 was chosen for this study. WIPP groundwater brine pH and E h will impact the mobility and fate of plutonium within the repository. Modeling and laboratory results for Castile WIPP brine indicate that equilibrium fa values relative to the standard hydrogen electrode (SHE) are 40 mV more reducing (i.e., more negative) than those for Salado WIPP brine (-480 mV vs. -440 mV, respectively) because of the higher pH of the Castile brine (pH 9 .3 for Castile vs. pH 8.8 for Salado). The E h and pH data were corrected for the effects of high ionic strength. The experimental results for both brines are consistent with thermodynamic predictions using OLI Systems' Mixed Solvent Electrolyte chemical equilibrium model. The measured and corrected pH and E h data from this study are provided in Table ES-I and Table ES-2, respectively. The experimental study, with four test conditions in triplicate, was performed in a dual glovebox with a nominally 3 vol.% H 2 in argon atmosphere (target H 2 range: 3 ± I vol.%). Simulants containing MgO only ( experimental control) and MgO+Fe 0 (WIPP base case) were prepared for both the Salado and Castile brines. MgO was included in all simulants to account for the use of bulk magnesium oxide in the WIPP repository. Fe 0 was included in some simulants to incorporate the effects of the anoxic corrosion of iron and in-situ hydrogen generation in the study. The brine compositions were developed by Sandia National Laboratory (SNL; Xiong, 2008) and have been used in previous WIPP evaluations. The test method (agitation, etc.) is partially based on ASTM D3987-12. Twelve rounds of periodic measurements of pH and E h were performed over the course of the study. Chemical analysis results for liquids and solids (ICP-MS, ICP-ES, IC Anion, TIC, SEM-EDX) are consistent with the pH, E h , and thermodynamic modeling results. This study included the following conditions that deviate from anticipated post-closure conditions following brine intrusion, but were selected to facilitate bench-scale testing to validate modeling of pH and E h for the post-closure WIP P repository: an anoxic glove box atmosphere containing ≤ 4 vol. % H 2 vs. substantially higher H 2 gas concentrations assumed in the WIPP Performance Assessment (PA); a significantly higher liquid-to-solid test ratio compared to the much lower phase ratio anticipated in the WIP P repository; agitation of the simulant bottles to maximize mass transfer; and finally the use of Fe 0 reagents having a much greater surface area than expected in the WIP P repository. Non-representative conditions were chosen for various reasons such as: to provide bounding conservative results, to provide a margin of safety for testing, or to facilitate simulant sub-sampling and analysis. In a parallel effort, aqueous electrolyte thermodynamic models were developed for the synthetic Salado and Castile brines to inform the experimental design, facilitate laboratory data interpretation, and allow extension of evaluations beyond the parameters tested. Thermodynamic modeling simulations including the MgO and Fe 0 additives that are directly relevant to the experimental measurements (e.g., pH calibration curve, ORP corrections) are included in this report. The measured fa of the simulants was close to the OLI model predictions for both brines and was largely controlled by the background H 2 partial pressure in the vapor phase as well as H 2 generated in situ in the aqueous phase by the Fe 0 corrosion. The H 2 gas-phase concentration tested and thermodynamically evaluated was much lower than is assumed in the WIPP PA; however, H 2 (g) concentrations significantly below this level are still predicted to result in very reducing conditions. In conclusion: • The experimental results are consistent with thermodynamic model predictions for fa, pH, and the effects of high ionic strength. • Evidence to date suggests that the H2 concentration in the glovebox atmosphere ultimately determined the final E h values of the simulants and resulted in highly reducing conditions. As a result, little difference was observed between the control simulants containing only MgO and the WIPP base-case simulants that contained MgO and Fe 0 . • This test methodology is recommended for future studies evaluating WIPP repository conditions. The methodology includes: (1) background H 2 in argon with agitation ( or could alternatively include in-situ-generated H 2 in sealed bottles); (2) carefully measured and corrected ORP data ( with much effort focused on allowing the probes to fully stabilize); and (3) ionic-strength-corrected pH data. Other best practices, such as simulant sparging/handling, ORP probe replacement, etc., should also be considered. • The coupling of experimental studies and thermodynamic modeling is also highly recommended because these methods inform and direct one another leading to greater confidence in and understanding of the results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Modeling and Analysis for Spent Nuclear Fuel Seismic Testing

Note: This is the final public release version of PNNL-31671 Draft, which was previously released to the sponsor for review. The intent is the public release version will be PNNL-31671. There are no significant changes from the earlier draft version. This unlimited distribution report is the deliverable for M3SF-21PN010202014: Modeling and Analysis for Spent Nuclear Fuel Seismic Testing. This report summarizes the modeling, analysis, and test plan support completed by Pacific Northwest National Laboratory for the spent nuclear fuel dry storage system seismic test plan through May of 2021. Test plan preparation is planned to continue until the seismic test is completed in July of 2022. This report covers preliminary structural dynamic model development and computer-aided design of test hardware. Based on preliminary modeling, the strongest earthquakes under consideration in this test program provide mechanical loading on the spent nuclear fuel that is comparable to the 30 cm cask drop scenario, although the loads do not appear to be strong enough to cause significant permanent deformation of the fuel assembly spacer grids. The potential for grid deformation during the test will be assessed when the proposed shake table motion becomes available. The weakest earthquakes considered in this test are expected to be comparable to the mechanical loads witnessed in the multimodal transportation test of 2017. The horizontal canister system is predicted to provide nearly-uniform loading condition on the fuel assemblies it contains, while the vertical cask system is predicted to cause non-uniform dynamic loads on the fuel assemblies. In the horizontal case, gravity keeps the fuel assemblies in contact with one basket wall surface unless the loads are strong enough to cause a separation. In the vertical case, the fuel assemblies are relatively long and slender, and seismic motion in the anticipated test range is predicted to cause the assemblies to lean, tilt, and impact the basket walls throughout the seismic event. These gap closures are a nonlinear force transmission condition, so the vertical system is expected to have more variation and variability than the horizontal system. While the horizontal system is expected to have a relatively more linear response than the vertical system, there is still the potential for nonlinear behavior in the horizontal system because the fuel assemblies are free to slide, bounce, and impact the basket walls if the seismic loads are strong enough. One major conclusion of this study is that the use of mixed fuel assemblies in the canister will be acceptable. There are differences in overall system response when the mass, center of gravity, or gaps are changed, but the changes in response are within the bounds of a system that contains completely homogeneous fuel assemblies. One important observation is that the loading for each individual fuel assembly within the vertical canister is expected to be different from that of the others because of nonlinearities in the system. The horizontal canister system is expected to have a more uniform and more predictable response than the vertical canister, making variations in fuel assembly characteristics easier to account for. One important recommendation that comes from this modeling work is to repeat some of the strongest shake tests at different angles, particularly for the vertical cask system. Modeling predicts that strong seismic motion will cause the fuel assemblies to close initial gaps and impact the fuel basket walls when the canister is in the vertical cask configuration. Each shake test will impose a pre-defined three-dimensional time history on the cask system.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Examining the peatland shrubification-evapotranspiration feedback following multi-decadal water table manipulation

Northern peatlands are globally important long-term sinks of carbon due to their predominantly saturated conditions. However, these ecosystems are expected to become drier with climate change, potentially leading to shrubification. As such, the response of the shrubification–evapotranspiration (ET) feedback may be of critical importance to future peatland energy, water and carbon dynamics. Here we examined the effect of multi-decadal peatland water table (WT) alteration at three adjacent sites with increasing depth to WT (WET, INTermediate, and DRY). In order to better understand the WT–shrubification–ET feedback, we measured peatland vegetation composition, microtopography and ET partitioning, where ET was measured at the ecosystem, microform, and leaf level using eddy covariance (EC), chambers and porometry, respectively. Averaged across microforms and WT treatments, there was a difference in the median measured leaf resistance (r leaf ) between plant functional types ranging from 213 s m -1 for erect dwarf shrubs, 325 s m -1 for graminoids/sedges, and 520 s m -1 for prostrate dwarf shrubs. Scaled based on LAI, the low r leaf of erect dwarf shrubs dominated hummocks, where sites with a higher proportion of hummocks had lower median canopy resistance (r v ) of 141, 133 and 130 s m -1 at the WET, INT and DRY sites respectively. Nevertheless, ET was highest at the WET site and similar between the INT and DRY sites, with greater evaporation from the moss surface at the WET site. Porometry and EC data along with a three-source model were used to independently assess the evaporative contribution from the moss surface, which ranged from 17% to 40%. For moderate and persistent changes in WT from land-use or climate change, our results suggest vegetation succession is minimal, but the microtopographic development and the concomitant differences in LAI for the various plant functional types is key to understanding changes in total ET and partitioning.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Sound velocities and thermal equation of state of fcc -iron-nickel alloys at high pressure and high temperature: Implications for the cores of Moon and several planets

Fcc-Fe-Ni alloy is believed to be the most dominant solid constitute of moderate-sized terrestrial planetary cores. Investigating the physical properties, especially the density and sound velocity of Fe-Ni alloys and comparing them with seismic observations is an indispensable approach to constructing compositional models for planetary interiors. In this study, we conducted sound velocity measurements on Fe-Ni alloys with 10 wt.% and 20 wt.% Ni up to ∼13.5 GPa and 1073 K, using the ultrasonic interferometry technique in a multi-anvil apparatus in conjunction with synchrotron radiation. By fitting the experimental data to finite strain equations, the bulk and shear moduli and their pressure and temperature derivatives are derived, yielding K S0 =145.8(14) GPa, G 0 = 73.2(7) GPa, K S0 ’ = 5.89(24), G 0 ’ = 2.89(8), (∂K S /∂T) P = -0.0181(12) GPa/K and (∂G/∂T) P = -0.0393(10) GPa/K for fcc-Fe 80 Ni 20 . An examination of the density-velocity relationship shows that compressional wave velocity is insensitive to temperature within the current pressure and temperature range, while shear wave velocity exhibits a large reduction with increasing temperature. Here, extrapolation of the sound velocities following the finite strain theories suggests that much slower Vs should be expected at pressure and temperature conditions corresponding to those of the lunar core. Possible core density and velocity profiles for other moderate planets and satellites, such as Mars, Mercury, and Ganymede are also calculated.

Equation of state↗

DOE OSTI2023

Effects of elevated temperature exposure on the residual stress state and microstructure of PVD Cr coatings on SiC investigated via in situ X-ray diffraction and transmission electron microscopy

Pure Cr coatings are being considered as corrosion-resistant layers for SiC-SiC f composite fuel cladding in light water reactors. The residual stress state and interdiffusion behavior of Cr coatings deposited on SiC substrates using bipolar high-power impulse magnetron sputtering (B-HiPIMS) and direct current impulse magnetron sputtering (DCMS) were studied using in situ X-ray diffraction experiments at 300 °C, 700 °C, and 1200 °C. After elevated temperature exposure, evolution of the coating microstructure and coating/substrate interdiffusion was characterized by transmission electron microscopy. The compressive residual stress of the dense B-HiPIMS coating at room temperature was gradually relieved at 300 °C, while the stress transitioned to a tensile state at 700 °C. Grain growth of the Cr coating and a Cr–SiC interdiffusion layer consisting of newly formed Cr–C and Cr–Si phases were observed in the B-HiPIMS coating after exposure at 700 °C. The phases in the interdiffusion layer were identified to be Cr 7 C 3 , Cr 3 Si, and Cr 5 Si 3 C x experimentally and by thermodynamic predictions. For the DCMS coating, however, changes in residual stress and microstructure at the elevated temperatures were limited by the inherent porosity and inhomogeneous structure of the as-deposited coating. At 1200 °C, both coating types interacted rapidly with the underlying SiC substrate in the early stages of the experiment. The results from this study suggest that the characteristics of the Cr coatings do not significantly change at the reactor operating temperature of 300 °C, while changes in microstructure and stress state are expected in off-normal conditions of 700 °C and 1200 °C. Finally the results from this study suggest the B-HiPIMS coating is best-suited as a protective coating for SiC fuel cladding.

36 MATERIALS SCIENCE↗