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At least 55 records · Page 3

Flow Reduction in Pore Networks of Packed Silica Nanoparticles: Insights from Mesoscopic Fluid Models

A modified many-body dissipative particle dynamics (mDPD) model is rigorously calibrated to achieve realistic fluid–fluid/solid interphase properties and applied for mesoscale flow simulations to elucidate the transport mechanisms of heptane liquid and water, respectively, through pore networks formed by packed silica nanoparticles with a uniform diameter of 30 nm. Two million CPU core hours were used to complete the simulation studies. Results show reduction of permeability by 54–64% in heptane flow and by 88–91% in water flow, respectively, compared to the Kozeny–Carman equation. In these nanopores, a large portion of the fluids are in the near-wall regions and thus not mobile due to the confinement effect, resulting in reduced hydraulic conductivity. Moreover, intense oscillations in the calculated flow velocities also indicate the confinement effect that contests the external driven force to flow. Here, the generic form of Darcy’s law is considered valid for flow through homogeneous nanopore networks, while permeability depends collectively on pore size and surface wettability. This fluid-permeability dependency is unique to flow in nanopores. In addition, potential dependence of permeability on pore connectivity is observed when the porosity remains the same in different core specimens.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Forced Oscillation Source Location of Bulk Power Systems Using Synchrosqueezing Wavelet Transform

Forced oscillation source location (FOSL) plays a significant role in mitigating forced oscillations (FOs), which threaten the power system stability. Here, this paper proposes a data-driven approach for FOSL in power systems using synchrosqueezing wavelet transform (SWT). The proposed approach conducts SWT on the measured system responses to obtain the SWT matrix. Then, the SWT-based dissipating energy flow (DEF) model in time-frequency domain and dissipating energy spectrum (DES) model in frequency domain are derived from the traditional DEF model. Further, the characteristics of SWT-based DEF and DES are revealed by referring to the traditional DEF, and the FOSL criteria of the SWT-based DEF and DES can be hereby obtained. Using the obtained FOSL criteria, the FO source can be located from the measured responses. The performance of the proposed FOSL method is evaluated by simulation data of the WECC 179-bus test system and field-measurement PMU data of the ISO New England. The results confirm the accuracy and efficiency of the proposed method in the FOSL.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Interactions between molecular-scale processes and hyporheic exchange for understanding Fe-S-C cycling in riparian wetlands (Final Report)

Wetlands represent some of the most productive ecosystems on the planet and critically influence global environmental health. Specifically, wetlands promote water quality by transforming nutrients and organic compounds and sequestering metals and contaminants. Riparian wetland hyporheic zones, where toxic surface water and anoxic groundwater mix, exhibit dynamic conditions that drive steep redox gradients and promote hotspots of diverse and fluctuating microbial activity. Changes in climate, water quality, and water quantity can disturb hydrologic flow and biogeochemical processing in these environments. Understanding how sulfate loading, impacted by hydrologic flux and anthropogenic inputs, influences iron and carbon cycling in wetlands will be crucial for predicting water quality issues driven by iron mineral precipitation and sorption, such as the release of heavy metals and other toxic elements. We used a fully integrated multi-scale and multi-method approach to develop a mechanistic understanding of how hydrologic flow influences coupled iron and sulfur cycles in riparian wetlands. This entailed hydrological, geochemical, and microbial observations at two locations: an anthropogenic sulfate-impacted riparian wetland in northern Minnesota, and a low-sulfate Fe-rich riparian wetland in Tims Branch at the Savannah River Site (SRS). These sites were characterized by hydrologically dynamic conditions where the stream and wetland systems oscillated between gaining (upward flow) and losing (downward flow) conditions that recharged the system occasionally with oxidants that fueled a variety of biogeochemical reactions. Aqueous geochemical measurements of surface water, groundwater, and porewater samples were made alongside solid-phase geochemical analyses of sediment gravity cores. Bulk X-ray absorption spectroscopy at the Advanced Photon Source (APS; Argonne) interrogated the speciation and distribution of Fe and S mineral phases of the sediments. Interestingly, it was discovered that, despite strongly reducing conditions, Fe(III) compounds and a variety of intermediate valence S compounds were stable in the subsurface. Indeed, compounds like thiosulfate, S(0), and intermediate valence organosulfur compounds were more prevalent than FeS and pyrite. The composition of the sediments did change with changes in hydrologic flow, showing their reactivity in changing redox conditions. The abundance of these intermediate S compounds was likely formed as a result of anaerobic oxidation by aqueous and solid-phase Fe(III) compounds, fueling a cryptic S cycle that is driving the breakdown of organic matter in the hyporheic zone. Microbiome surveys showed a core community that seemed stable across the landscape, but changed with increasing depth into the sediment. The community composition did not seem to change dramatically with changes in season or hydrologic flow, except for some organisms that have the potential to contribute to S cycling. More work is needed to confirm their functional activity. These fine process-scale analyses were placed within a dynamic field context using physical flow parameters from surface water and groundwater level measurements. These data helped shed light on sulfur-driven biogeochemical processes in hydrologically dynamic riparian wetlands, addressing a gap in our understanding about the impacts of pollution and other anthropogenic changes on ecologically sensitive environments.

54 ENVIRONMENTAL SCIENCES↗

Floquet stability analyses of stratified oscillating boundary layers on adiabatic slopes

The presence of a no-slip, impermeable, adiabatic, sloped boundary in an otherwise quiescent, stably stratified, Boussinesq flow generates baroclinic vorticity within a diffusive boundary layer. Such conditions are typical of the oscillating boundary layers on adiabatic abyssal slopes, sloped lake bathymetry and sloped coastal bathymetry in the absence of high-wavenumber internal waves, mean flows, far-field turbulence on larger scales, and resonant tidal–bathymetric interaction. We investigate the linear stability of the oscillating flow within non-dimensional parameter space typical of the $M_2$ tide and hydraulically smooth, middle-latitude abyssal slopes through Floquet linear stability analysis. The flow dynamics depends on three non-dimensional variables: the Reynolds number for Stokes’ second problem, the Prandtl number, and a frequency ratio that accounts for the resonance conditions ($C$, criticality) of the buoyant restoring force and the tidal forcing. The Floquet analysis results suggest that oscillating laminar boundary layers on adiabatic abyssal slopes are increasingly unstable as Reynolds number, criticality parameter and/or spanwise disturbance wavenumber are increased. We also show that the two-dimensional Floquet linear instability necessarily generates three-dimensional baroclinic vorticity, which suggests that the evolution of the gravitational instabilities may be nonlinear as $t→∞$.

42 ENGINEERING↗

Collisionless zonal-flow dynamics in quasisymmetric stellarators

The linear collisionless plasma response to a zonal-density perturbation in quasisymmetric stellarators is studied, including the geodesic-acoustic-mode oscillations and the Rosenbluth–Hinton residual flow. While the geodesic-acoustic-mode oscillations in quasiaxisymmetric configurations are similar to tokamaks, they become non-existent in quasi-helically symmetric configurations when the effective safety factor in helical-angle coordinates is small. Compared with concentric-circular tokamaks, the Rosenbluth–Hinton residual is also found to be multiplied by a geometric factor $\mathcal {C}$ that arises from the flux-surface-averaged classical polarization. Using the near-axis-expansion framework, we derive an analytic expression for $\mathcal {C}$ , which varies significantly among different configurations. These analytic results are compared with numerical simulation results from the global gyrokinetic particle-in-cell code GTC, and good agreement with the theoretical Rosenbluth–Hinton residual level is achieved when the quasisymmetry error is small enough.

Zhu, Hongxuan (ORCID:0000000198446972)↗

Microwave Heating-Induced Temperature Gradients in Liquid–Liquid Biphasic Systems

Microwaves (MWs) can enable the electrification and intensification of chemical manufacturing. They have been applied to various unit separations, such as drying, distillation, and extraction, entailing gas–liquid and solid–liquid systems. However, a limited quantitative understanding of MW-heated liquid–liquid biphasic systems related to extraction exists. This work measures the temporal and spatial temperature difference between an aqueous and an organic phase in batch and continuous microfluidic modes. We demonstrate permanent temperature differences between phases over 35 °C and spatiotemporal periodic and quasiperiodic oscillations modulated by the flow patterns. The temperature differences are primarily driven by the faster absorption rate of MW irradiation by the aqueous phase versus the slower heat transfer from the aqueous phase to the organic phase. These are amplified by low specific interfacial area and modifications of the electromagnetic field. We employ a multiphysics model to predict the temperature difference in a batch system. The model is in good agreement with the experiments. We demonstrate a strong effect of input power, dielectric properties of organic solvents, the volume of solvents, and the volume ratio between phases on the temperature difference. A simple analytical model describes the temperature difference and provides design principles. Furthermore, the combined approach offers new insights into the design and optimization of the MW-heated biphasic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Efforts to stabilize composite localization elements

Localization finite elements seek to provide a robust framework for modeling ductile failure. They utilize the same constitutive model as the bulk material through the introduction of a length scale in a specialized deformation gradient that regularizes displacement discontinuity. Similar to many other elements, localization elements exhibit locking and associated pressure oscillations under incompressible plastic flow, which is a critical issue when attempting to model pressure-driven damage evolution. These issues can be drastically improved through what are essentially reduced integration techniques for the Jacobian and pressure, but there seem to be pressure-related instabilities that persist and are specific to localization elements. This memo summarizes recent efforts to mitigate and understand this problem, mostly for the 12-node composite wedge localization element in particular. At this point, it remains unclear whether the pressure fields within any localization element can be sufficiently stabilized in order to properly model failures that include softening or fracture.

36 MATERIALS SCIENCE↗

Low flow characteristics for regulated and unregulated streams in North Carolina and prediction using climate signals

In this work, low flow statistics of regulated and unregulated streams in the state of North Carolina were updated with streamflow data through 2019. About 22% of the streams considered show a significant downward trend, but considerable low-frequency variability confounding trends. The relationship between regional index time series of groundwater-depth low flow and the Atlantic Multidecadal Oscillation (AMO) was examined to determine whether low-frequency climate modes can account for the long-term pattern in low flows. Consequently, a significant correlation was found between AMO and groundwater-depth low flow, such that positive AMO is associated with lower groundwater-depth low flow and vice versa, particularly for the Piedmont region. Predictive equations for annual low flows at the ecoregion level shows that springtime average streamflow and AMO were selected as the primary predictors of low flow for coastal and Piedmont regions, whereas springtime average streamflow and the November–December–January average Oceanic Niño Index were used as the primary predictors for the mountain region. The relative root mean square error (RMSE) of the disaggregated predictions to US Geologic Survey gauge locations was <23% at 79% of the stations, between 24% and 43% at 10% of the stations, and greater than 44% at 1% of the stations. The remaining 10% of stations showed large RMSEs. This latter percentage is characterized by smaller drainage basins and intermittent flows, suggesting the prediction models are not applicable to drainage basins smaller than roughly 20 square km and intermittent streams.

54 ENVIRONMENTAL SCIENCES↗

FY22 Progress on Computational Modeling of the Water-Based NSTF

This report summarizes the system-level modeling effort by Argonne National Laboratory (Argonne) of the Natural convection Shutdown heat removal Test Facility (NSTF) in FY22. As an extension of the effort from FY21, this year’s work focuses primarily on the two-phase modeling of the NSTF using RELAP5-3D, particularly with the inclusion of the cavity model. The results from simulations were used to compare against experimental data for benchmarking purposes of the RELAP5 deck. Additionally, RELAP5 was used as a predictive tool to guide planned test operations and identify expected system behaviors. In the first part of this report, details are provided of the cavity omitted model where heat flux is applied directly as a boundary condition to the risers. The general trend predicted by the RELAP5 model matches that from the experimental data when a single-phase natural circulation flow is first established, followed by an oscillatory two-phase period and finally a stable two-phase flow. However, the onset of oscillations is predicted early by the model due to the smaller thermal mixing region in the tank. However, by expanding the simulated thermal mixing region in the tank, the onset of oscillations predicted by the model is able to match that from the experiment. These oscillations where studied in depth and are deduced to be flashing-induced instability. The model was then modified to simulate an accident scenario case where a representative heat load based on the full-scale Framatome’s 625 MW t SC-HTGR was applied directly to the riser channels. The simulated initial and boundary conditions were identical to those performed experimentally, facilitating direct comparisons between the predicted and experimental results. It was determined that the results showed some discrepancies remain, likely due to the overprediction of vapor generation rate by the computer model. In the second part of this report, the cavity model is re-introduced where it is observed that the RELAP5 prediction is now able to capture the major trends of the observed flow commonly observed during two-phase conditions. However, the onset of oscillations is once again predicted early by the model, possibly caused by the underprediction of heat loss from the heater and cavity. This is likely due to the omission of support structures in the cavity that can act as additional pathways for heat to escape to the environment. To overcome the underprediction of heat loss, part of the insulation surrounding the cavity side panels and the back of the heaters are removed to allow heat to escape directly to the environment, which then improves the RELAP5 prediction. Parametric studies are also performed to investigate the effects of heater power, tank inventory level, and tank gas space pressure on flow behaviors, also in direct comparison to conditions tested experimentally. User option-61 in the RELAP5-3D input deck, which changes the heat transfer coefficient correlations used for calculating the vapor generation, is also investigated where it is found that by enabling the option, the overall duration of oscillations is increased and matches that from the experiment better. The RELAP5 model is further benchmarked with a header inlet- throttling case where it is observed that the prediction from the model fails to capture some major features observed in the experiment. By using a modified loss coefficient curve for the valve, the accuracy of the prediction is improved where most of the major features observed in the experiment are predicted by the model. Lastly, the model is benchmarked with an inventory depletion scenario where it is observed that despite the modeling limitation of RELAP5, the prediction shows good agreement with the experimental data where major trends and features are captured by the model. Future work will see continued development of the current RELAP5-3D input deck of the NSTF to both improve the accuracy of the model’s predictive capability and continuing serving the experimental program. The mutually beneficial relationship between analysis and experimental efforts has become integral to the parent NSTF program, and the greater objective to fully understand and accurately predict the heat removal performance of a full scale RCCS concept.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Beam Shaping and Oscillation for Metals Additive Manufacturing

Additive Manufacturing (AM) is pivotal for next-generation industrial manufacturing but is hampered by process control challenges leading to unwanted defects and sub-optimal material properties. Our research builds on prior work that utilized beam oscillation techniques to mitigate these issues (Wu et al., 2023). We focus on investigating the influence of beam oscillation frequency on melt pool dynamics, utilizing in-situ synchrotron material characterization from the ESRF (Chen et al., 2026). Preliminary findings indicated that beam oscillation results in unique fluid flow patterns and enhanced melting stability. These findings suggested the possibility of optimized AM process control, including minimized defects and tailored thermal histories. We proposed further research to explore the effects of beam oscillation frequencies comprehensively, using the in-situ characterization capabilities at the ESRF. The goal was to quantify this relationship, offering a pathway to more precise AM process control and optimization. Our research is expected to offer new scientific insights into the fluid mechanics and thermal behaviour in AM, contributing to its broader applicability and commercial viability.

36 MATERIALS SCIENCE↗

FY-24 Progress on Computational Modeling of the Water Based NSTF

This report summarizes the computational modeling of the Natural Convection Shutdown Heat Removal Test Facility (NSTF) completed in FY24. This year’s modeling campaign focuses on the continual testing of the RELAP5 model against experimental data. Several fault cases were simulated with the RELAP5 model in FY23 to study the accuracy of the model under complex flow conditions. Similarly, in FY24, a case is simulated where the chimney outlet is throttled with a valve while the flow is undergoing two-phase oscillations. The purpose of this case is to study the effects of increasing pressure drop in the two-phase region on the system behavior. Even though the model is able to capture the experimental data qualitatively, it overpredicts the pressure drops experienced by the flow in the two-phase regime. Nevertheless, the model and the experiment show that oscillations are stabilized with increased pressure drop in the two-phase region.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Twin Circuit Theory-Based Framework for Oscillation Event Analysis in Inverter-Dominated Power Systems With Case Study for Kaua‘i System

Here, this paper proposes a real-world oscillation event analysis framework for power systems that include inverter-based resources together with synchronous generators. Specifically, the proposed framework combines both measurement-and model-based techniques to readily identify potential oscillation sources, replay the oscillation event with numerical simulation, unveil the underlying oscillation mechanism, and suggest mitigation methods for a wide range of oscillation events. To strengthen the theoretical foundation of our analysis framework, this paper proposes a twin circuit theory that provides theoretical support for one key utilized but not well-proven measurement-based oscillation source identification method-Dissipating Energy Flow. Our twin circuit theory also shows that adopting well-tuned grid-forming inverters can be a potential mitigation method for oscillation events. Finally, the effectiveness of our proposed oscillation event analysis framework is demonstrated by addressing a real-world 18-20 Hz oscillation event in Kaua‘i's power system on November 21, 2021.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Temporally-consistent koopman autoencoders for forecasting dynamical systems

Absence of sufficiently high-quality data often poses a key challenge in data-driven modeling of high-dimensional spatio-temporal dynamical systems. Koopman Autoencoders (KAEs) harness the expressivity of deep neural networks (DNNs), the dimension reduction capabilities of autoencoders, and the spectral properties of the Koopman operator to learn a reduced-order feature space with simpler, linear dynamics. However, the effectiveness of KAEs is hindered by limited and noisy training datasets, leading to poor generalizability. To address this, we introduce the Temporally-Consistent Koopman Autoencoder (tcKAE), designed to generate accurate long-term predictions even with limited and noisy training data. This is achieved through a consistency regularization term that enforces prediction coherence across different time steps, thus enhancing the robustness and generalizability of tcKAE over existing models. We provide analytical justification for this approach based on Koopman spectral theory and empirically demonstrate tcKAE’s superior performance over state-of-the-art KAE models across a variety of test cases, including simple pendulum oscillations, kinetic plasma, and fluid flow data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Initial position optimization in molecular dynamics simulations for a Coulomb system

A new algorithm for molecular dynamics (MD) simulations is developed to optimize plasma particle distributions at given initial temperatures. By combining velocity scaling and reassignment, the method effectively eliminates the initial rise and oscillation in temperatures observed with randomly distributed positions. These rises and oscillations are undesired numerical artifacts observed in conventional plasma MD simulations, arising from unoptimized particle positions. The algorithm demonstrates temperature relaxation without initial rises or oscillations, as well as precise flow velocity relaxation, enabling accurate measurement of relaxation times. The code is accelerated using graphics processing units for parallel processing, enhancing the study of plasma dynamics. The proposed method for distributing physically valid particles in MD simulations enables accurate studies of intrinsic collision processes in plasmas, including the dynamics of strongly coupled plasmas, plasma–wave interactions, and transport phenomena in magnetized plasmas. The paper concludes with a discussion of potential applications and future enhancements to the algorithm.

Jo, Jawon (ORCID:0009000924193285)↗

TEAMER - Extreme Events Modeling for the MARMOK-OWC Wave Energy Converter

Through the TEAMER program, Sandia National Laboratories (SNL) collaborated with IDOM Incorporated to study their MARMOK-Oscillating Water Column (MARMOK-OWC) wave energy conversion device. The study yielded a quantitative understanding of hydrodynamic pressures on the oscillating water column (OWC) device surfaces, the mooring tensions, and the dynamic performance of the device under extreme ocean wave conditions. This project utilized a comprehensive multi-phase Navier-Stokes flow solver with an overset body-fit mesh to predict fluid velocities and hydrodynamic forces on the MARMOK-OWC device. Computational Fluid Dynamics (CFD) analysis were conducted using OpenFOAM. This data includes the OpenFOAM cases (setup and data) to run the extreme events developed during the project. This project is part of the TEAMER RFTS 4 (request for technical support) program.

16 TIDAL AND WAVE POWER↗

Validation of a Hybrid Domain Overlapping Coupling Between SAM and CFD Against the TALL-3D Transients

The System Thermal Hydraulics (STH) code SAM has been coupled to the Computational Fluid Dynamics (CFD) code Simcenter STAR-CCM+ utilizing a hybrid domain overlapping method with an explicit coupling in time. The coupling aims to extend the STH code’s applicability to scenarios where local momentum and energy transfers are important yet difficult for STH codes to capture, such as three-dimensional (3D) mixing. The coupling method’s numerical stability was verified in the past against two closed-loop configurations, and it was validated against a double T-junction experiment with 3D scalar mixing. In the present work, the coupling method is validated against the TALL-3D STH/CFD coupling benchmark facility. TALL-3D is a three-legged, liquid-metal facility with a large, pool-type enclosure (test section) that exhibits 3D flow effects to be modeled by a CFD code. The rest of the system exhibits approximately 1D behavior well-predicted by an STH code. First, the present STAR-CCM+ CFD model of the 3D test section is validated against experimental data. Then, the SAM-STARCCM+ coupled model is validated against six different TALL-3D steady states, including SAM standalone model results for comparison. Lastly, the SAM-STARCCM+ coupled model is validated against two TALL-3D transients, one exhibiting flow reversal in the test section and one exhibiting nonlinear, Limit Cycle Oscillations (LCO). For the first transient, the SAM-STARCCM+ coupled model properly predicts an increase in the test section’s inlet temperature during flow reversal, and this is not predicted by the SAM standalone model. Following flow reversal, the SAM-STARCCM+ coupled model better-predicts the initial flow recovery and following oscillations as the system approaches a final natural circulation state. For the second transient, no true final steady state is observed due to LCO. Neither the SAM-STARCCM+ coupled model nor the SAM standalone model can perfectly capture the experiment’s changing oscillation frequency during the transient. However, the SAM-STARCCM+ coupled model does reproduce the oscillatory feedback observed in the system. This is a significant achievement as the SAM-STARCCM+ coupled model only uses an explicit coupling in time, as opposed to a semi-implicit coupling. In comparison, previous STH/CFD coupling efforts of the TALL-3D facility required semi-implicit coupling to obtain similar results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Quantitative phase imaging around water vapor microbubbles under pulsed laser illumination

We measured water temperature around a self-oscillating water vapor-rich bubble using diffraction phase microscopy equipped with a pulsed laser. The water vapor-rich bubble, which causes a strong water flow around it, was generated by locally heating degassed water through the photothermal conversion properties of an FeSi2 thin film. The generation of the flow is related to the self-oscillation of the bubble at sub-MHz frequencies and the temperature distribution around it. Here, the refractive index of the surrounding water was measured using a pulsed laser with a 3.5-ns pulse duration, which guarantees a time resolution of less than 1/200 of the oscillation cycle of the bubble. The temperature distribution around the bubble was calculated from the measured refractive index.

Narihira, Kyoshiro [Kyoto University, Japan]↗

The Intrinsic 150‐Day Periodicity of the Southern Hemisphere Extratropical Large‐Scale Atmospheric Circulation

Abstract The variability of the Southern Hemisphere (SH) extratropical large‐scale circulation is dominated by the Southern Annular Mode (SAM), whose timescale is extensively used as a key metric in evaluating state‐of‐the‐art climate models. Past observational and theoretical studies suggest that the SAM lacks any internally generated (intrinsic) periodicity. Here, we show, using observations and a climate model hierarchy, that the SAM has an intrinsic 150‐day periodicity. This periodicity is robustly detectable in the power spectra and principal oscillation patterns (aka dynamical mode decomposition) of the zonal‐mean circulation, and in hemispheric‐scale precipitation and ocean surface wind stress. The 150‐day period is consistent with the predictions of a new reduced‐order model for the SAM, which suggests that this periodicity is associated with a complex interaction of turbulent eddies and zonal wind anomalies, as the latter propagate from low to high latitudes. These findings present a rare example of periodic oscillations arising from the internal dynamics of the extratropical turbulent circulations. Based on these findings, we further propose a new metric for evaluating climate models, and show that some of the previously reported shortcomings and improvements in simulating SAM's variability connect to the models' ability in reproducing this periodicity. We argue that this periodicity should be considered in evaluating climate models and understanding the past, current, and projected Southern Hemisphere climate variability.

54 ENVIRONMENTAL SCIENCES↗