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At least 37 records · Page 2

Reaction Layer Formation on MgO in the Presence of Humidity

Mineralization by MgO is an attractive potential strategy for direct air capture (DAC) of CO 2 due to its tendency to form carbonate phases upon exposure to water and CO 2 . Hydration of MgO during this process is typically assumed to not be rate limiting, even at ambient temperatures. However, surface passivation by hydrated phases likely reduces the CO 2 capture capacity. Here, we examine the initial hydration reactions that occur on MgO(100) surfaces to determine whether they could potentially impact CO 2 uptake. We first used atomic force microscopy (AFM) to explore changes in reaction layers in water (pH = 6 and 12) and MgO-saturated solution (pH = 11) and found the reaction layers on MgO are heterogeneous and nonuniform. To determine how relative humidity (R.H.) affects reactivity, we reacted samples at room temperature in nominally dry N 2 (~11–12% R.H.) for up to 12 h, in humid (>95% R.H.) N 2 for 5, 10, and 15 min, and in air at 33 and 75% R.H. for 8 days. X-ray reflectivity and electron microscopy analysis of the samples reveal that hydrated phases form rapidly upon exposure to humid air, but the growth of the hydrated reaction layer slows after its initial formation. Reaction layer thickness is strongly correlated with R.H., with denser reaction layers forming in 75% R.H. compared with 33% R.H. or nominally dry N 2 . The reaction layers are likely amorphous or poorly crystalline based on grazing incidence X-ray diffraction measurements. After exposure to 75% R.H. in air for 8 days, the reaction layer increases in density as compared to the sample reacted in humid N 2 for 5–15 min. Further, this may represent an initial step toward the crystallization of the reaction layer. Overall, high R.H. favors the formation of a hydrated, disordered layer on MgO. Based on our results, DAC in a location with a higher R.H. will be favorable, but growth may slow significantly from initial rates even on short timescales, presumably due to surface passivation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

STILGAR End-of-Project Report

The Subsurface Tunnel Imaging LeveraGed by Analysis of Rayleigh wave ellipticity (STILGAR) project demonstrated an integrated geophysical approach for detecting, locating, and characterizing underground structural changes using dense seismic arrays and advanced inversion techniques. Field campaigns were conducted at two operational mines—the Redmond salt mine (Utah) and Graymont Pleasant Gap limestone mine (Pennsylvania)—providing real-world testbeds for monitoring anthropogenic subsurface activity. At the Redmond salt mine, seismic interferometry combined with back-projection inversion successfully identified continuous, low-amplitude signals from mining operations. The approach differentiated stationary from migrating anthropogenic sources, captured daily operational cycles, and validated the potential of passive seismic monitoring for remote detection of underground activity. At the Graymont Pleasant Gap mine, two dense seismic deployments in the spring and fall of 2023 generated over 4 TB of high-resolution data. Key outcomes included the relocation of 199 underground and 8 surface explosions with accuracies within tens of meters and the development of a 3D P-wave velocity model using the triple-difference tomography algorithm (tomoTD) that resolved major structural features such as the mine entrance, low-velocity tunnels, and roof-collapse areas. Ambient noise cross-correlation and back-projection analyses revealed persistent sources linked to ongoing mining activity, whereas horizontal-to-vertical spectral ratio (HVSR) and ellipticity studies confirmed stable site responses across seasons and identified soil thickness trends consistent with regional erosional and depositional processes. Checkerboard and sensitivity tests further validated the robustness of the tomographic results. Overall, the findings emphasize that although significant progress has been made in subsurface imaging, further work is needed to enhance the detection and localization of underground structures. Accurate imaging requires higher frequencies, yet anthropogenic sources tend to dominate the seismic record at those frequencies, and high-frequency surface waves are affected by higher modes that complicate interpretation. The improved detection and localization of human-induced signals enabled detailed temporal and spatial mapping of daily mine operations, demonstrating the feasibility of continuous anthropogenic source monitoring. Sensitivity to signals from nontraditional sources, such as fan operations, highlights the broader applicability of this approach to other industrial environments in which continuous and impulsive signals are present. The field campaigns produced a substantial volume of high-quality seismic data, supporting the development and testing of new methods for seismic source characterization and subsurface imaging. Future deployments should include sensors capable of recording lower frequencies to probe deeper structures, increase bandwidth to enhance resolution and sensitivity to both shallow and deep targets, and collect additional large-scale datasets to refine imaging and source characterization techniques. Moreover, conducting 3D modeling studies of seismic wavefields at higher frequencies will provide a better understanding of wave scattering and cavity–wavefield interactions in complex underground environments. In conclusion, the STILGAR project demonstrated that integrated seismic monitoring can effectively characterize underground operations, capturing both natural and anthropogenic signals. The approaches developed provide a foundation for improved detection, localization, and imaging of subsurface structures and are directly transferable to broader industrial monitoring applications.

58 GEOSCIENCES↗

High-Fidelity Velocity and Concentration Measurements of Turbulent Buoyant Jets

Accurate models of turbulent buoyant flows are essential for the design of the cooling circuit of nuclear reactors and passive safety systems. However, available models fail to fully capture the physics of turbulent mixing when buoyancy becomes predominant with respect to momentum. Therefore, high-fidelity experiments of well-controlled fundamental flows are needed to develop and validate more accurate models. We analyze experiments of positive and negative turbulent buoyant jets, both in uniform and stratified environments, with the aim of understanding the thermal hydraulics of turbulent mixing with variable density and providing high-fidelity data for the development and validation of turbulence models. Non-intrusive, simultaneous particle image velocimetry and laser-induced fluorescence measurements were carried out to acquire instantaneous velocity and concentration fields on a vertical section parallel to the axis of a jet in the self-similar region. The refractive index matching method was applied to measure high-resolution buoyant jets with up to 8.6% density difference. These data are free of the typical errors that characterize optical measurements of buoyancy-driven flows (e.g. natural and mixed convection) where the refractive index of the fluid is inhomogeneous throughout the measurement domain. Turbulent statistics and entrainment of buoyant jets in uniform and stratified environments are presented. These data are compared with non-buoyant jets in a uniform environment, as a reference to investigate the effects of buoyancy and stratification on turbulent mixing. The results will be used for the assessment of current turbulence models and as a basis for the development of a new model that captures turbulent mixing.

laser induced fluorescence↗

Numerical Modeling of a Two-Stage Ocean Current Turbine

The Equinox Ocean Turbines (EQOT) current energy converter has a unique design with power generation in two small-diameter turbines attached to the tips of a large-diameter passive rotor. This configuration offers some key advantages for capturing ocean currents. With no centrally placed generator, almost no reaction torque is required at the nacelle of the main large-diameter rotor, and the small-diameter tip turbine generators operate at a higher speed and lower torque. The physics that determine the performance and loads on the turbine are also unique. The interactions of the flow field between the two stages and the general architecture of the system cannot be captured with traditional mid-fidelity modeling tools. For design iterations and large sets of load cases, it is important to have mid-fidelity models that can capture the important phenomenon with enough accuracy to identify global trends. This work uses a limited set of high-fidelity computational fluid dynamics (CFD) simulations to help inform the selection of and construction of a custom mid-fidelity model. Mid-fidelity modeling approaches were verified by comparing key turbine performance quantities to those found with the CFD model. Hydrodynamic interactions of the two-stage rotor were identified through high-fidelity CFD modeling. This highlighted the impact of the main rotor tip vortex and wake on the secondary rotor apparent inflow. This results in a relative flow rotation and sharp deficit, that change the optimal secondary rotor rotation speed and adds unsteadiness to the blade loading respectively. Multiple mid-fidelity approaches were evaluated for their ability to capture these effects. A simple approximation of the combined-stage performance based on single-stage BEM provides a reasonable rough prediction, especially near the peak TSR values, with some larger discrepancy at higher TSRs. Predicting the combined-stage performance based on single-stage CFD data improves this prediction across the TSR range. Although the combined-stage modeling in OLAF was not successful in this stage of the project, it showed promise as a mid-fidelity method, assuming the parameters can be tuned to account for the significant differences in time and length scales between the main and secondary rotors. This may be addressed through code changes in future work. A significant finding from the OLAF work was the agreement between the vortex core radius values found independently via a parameter space search and via CFD. The technique of using single-stage secondary rotor BEM, with a custom inflow taken from single-stage main rotor CFD or OLAF, provides an efficient method to capture one-way coupled flow interactions. This method provided generally good predictions of the impact of the flow rotation on the secondary rotor but struggled to accurately predict the peaks of the unsteady load progression. Future work could include some superposition of a tuned main rotor trailing edge viscous wake into the custom inflow to better predict this interaction.

16 TIDAL AND WAVE POWER↗

High-fidelity Experiments of Turbulent Buoyant Jets from Simultaneous Particle Image Velocimetry and Laser Induced Fluorescence

Accurate models of turbulent buoyant flows are essential for the design of nuclear reactors thermal hydraulics and passive safety systems. However, available models fail to fully capture the physics of turbulent mixing when buoyancy becomes predominant with respect to momentum. Therefore, high-fidelity experiments of well-controlled fundamental flows are needed to develop and validate more accurate models. We performed experiments of positive and negative turbulent buoyant jets, both in uniform and stratified environments, with the aim of understanding the thermal hydraulics of turbulent mixing with variable density and providing high-fidelity data for the development and validation of turbulence models. Non-intrusive, simultaneous Particle Image Velocimetry and Laser Induced Fluorescence measurements were carried out to acquire instantaneous velocity and concentration fields on a vertical section parallel to the axis of a jet in the self-similar region. The Refractive Index Matching method was applied to measure high-resolution buoyant jets with up to 8.6% density difference. These data are free of the typical errors that characterize optical measurements of buoyancy driven flows (e.g., natural and mixed convection) where the refractive index of the fluid is inhomogeneous throughout the measurement domain. Turbulent statistics and entrainment of buoyant jets in uniform and stratified environments are presented. These data are compared with non-buoyant jets in uniform environment, as a reference to investigate the effects of buoyancy and stratification on turbulent mixing. The results will be used for the assessment of current turbulence models and as basis for the development of a new one that captures turbulent mixing.

42 ENGINEERING↗

Evaluation of common trap types for capturing wild pigs

Abstract Wild pigs ( Sus scrofa ) are one of the most ecologically harmful invasive vertebrates globally. Due to their negative impacts, wild pig populations are managed via trapping, yet studies investigating various trap designs have been limited in duration, location, and number of trappers. Using data from professional trappers across the southeastern U.S., we evaluated the performance of 3 wild pig trap types (corral, drop, passive net), and the effect of forage season (barren, green‐up, masting) on trapping success. Specifically, we compared trap effectiveness (estimated proportion of targeted wild pigs caught per capture event), trap night effort (number of days to first catch), and the amount of bait and time used per individual take over the lifetime of each trap location across the 3 trap types and forage seasons. Across >850 capture events by 31 trappers, all 3 trap types evaluated were effective at capturing entire social groups of wild pigs. Few differences were observed among trap types, although drop traps in masting season captured a greater estimated proportion of wild pigs per capture event compared to other trap type‐season combinations. Our data also revealed that passive net traps required slightly more bait/wild pig captured than drop traps but there was no difference in the time/wild pig captured among traps. Our findings demonstrate that when operated by wildlife professionals, multiple designs of wild pig traps can be effective at removing targeted groups of wild pigs. Further, our results offer insights regarding the performance of wild pig trap types across seasons that can be used to inform wild pig trapping programs.

Taylor, Charles R. [Warnell School of Forestry and↗

Metal–Organic Framework–Polyacrylonitrile Composite Beads for Xenon Capture

Mechanically robust forms of HKUST-1 metal-organic frameworks (MOFs) were fabricated by embedding the MOF in a passive polyacrylonitrile (PAN) matrix at different MOF loadings of 10–90 mass%. Here, the PAN is highly porous and acts as a scaffold that holds the active MOF adsorbent in place for Xe capture. Data presented herein show that the PAN matrix does not notably interfere with the Xe capture process where the Xe capacities scale somewhat linearly with the increase in MOF loading in the composites. Radiation testing of the composites under a gamma flux revealed that they are highly tolerant to these types of radiation fields.

36 MATERIALS SCIENCE↗

Method and system to measure gas flow

A system for measuring gas flow generally including a passive acoustic wave generator disposed in a gas flow stream to passively generate an audio signal through vortex shedding, a sound capturing instrument disposed outside the gas stream to produce an electrical signal representative of the acoustic signal, a temperature sensor to obtain temperature measurements indicative of the temperature of the gas flow stream and a control system for determining the gas flow, such as velocity or flow rate, as a function of the acquired acoustic and temperature measurements. The acoustic wave generator includes a corrugated flow channel whose geometric design is so tuned to generate an acoustic emission whose frequency signature varies as a function of the gas flow velocity. The control system may acquires time-domain acoustic data, and process that data to obtain a frequency-domain representation from which gas velocity or gas flow rate can be determined.

Cetiner, Mustafa S.↗

Energy-Efficient Direct Air Capture System for High Purity CO 2 Separation

The primary objective of this project is to demonstrate the University of Cincinnati’s direct air capture (DAC) sorbent technology in a monolithic structure installed in a passive air contactor (PAC). The modified amine-based sorbent technology provides reduced heat of desorption and resistance to thermal and oxidative degradations for robust and long-term performances and cost effective sorbent management. During the project period, additional amine modifications were developed and a U.S./PCT patent application was filed.

42 ENGINEERING↗

Molecular basis of hemoglobin binding and heme removal in Corynebacterium diphtheriae

To successfully mount infections, nearly all bacterial pathogens must acquire iron, a key metal cofactor that primarily resides within human hemoglobin. Corynebacterium diphtheriae causes the life-threatening respiratory disease diphtheria and captures hemoglobin for iron scavenging using the surface-displayed receptor HbpA. Here, we show using X-ray crystallography, NMR, and in situ binding measurements that C. diphtheriae selectively captures iron-loaded hemoglobin by partially ensconcing the heme molecules of its α subunits. Quantitative growth and heme release measurements are compatible with C. diphtheriae acquiring heme passively released from hemoglobin’s β subunits. We propose a model in which HbpA and heme-binding receptors collectively function on the C. diphtheriae surface to capture hemoglobin and its spontaneously released heme. Acquisition mechanisms that exploit the propensity of hemoglobin’s β subunit to release heme likely represent a common strategy used by bacterial pathogens to obtain iron during infections.

NMR↗

FEOTS v0.0.0: a new offline code for the fast equilibration of tracers in the ocean

Abstract. In this paper we introduce a new software framework for the offline calculation of tracer transport in the ocean. The Fast Equilibration of Ocean Tracers Software (FEOTS) is an end-to-end set of tools to efficiently calculate tracer distributions on a global or regional sub-domain using transport operators diagnosed from a comprehensive ocean model. To the best of our knowledge, this is the first application of a transport matrix model to an eddying ocean state. While a Newton–Krylov-based equilibration capability is still under development and not presented here, we demonstrate in this paper the transient modeling capabilities of FEOTS in an application focused on the Argentine Basin, where intense eddy activity and the Zapiola Anticyclone lead to strong mixing of water masses. The demonstration illustrates progress in developing offline passive tracer simulation capabilities, while highlighting the challenges of the impulse response functions approach in capturing tracer transports by a non-linear advection scheme. Our future work will focus on improving the computational efficiency of the code to reduce time-to-solution, using different basis functions to better represent non-linear advection operators, applying FEOTS to a parent model with unstructured grids (Ocean Model for Prediction Across Scales, MPAS-Ocean), and fully implementing a Newton–Krylov steady-state solver.

54 ENVIRONMENTAL SCIENCES↗

Assessment of Sodium Thermal Stratification Models Utilizing the TSTF Benchmark

As a result of certain transient scenarios, a thermally stratified layer of liquid sodium can develop in the bulk coolant volumes of a sodium-cooled fast reactor (SFR). In addition to the effects a stratification layer has on the temperature of the heat transport system, a stratification layer can also influence the transition to and establishment of natural circulation flow, which plays an important role in passive cooling and the inherent safety of a pool-type SFR. Therefore, the ability to accurately capture thermal stratification phenomena is important when demonstrating the safety basis of a pool-type SFR during transient sequences. The present work assesses various computational models with different fidelities in their ability to predict thermal stratification in the upper plenum of an SFR. Each computational model will be assessed using the data generated at the Thermal Stratification Test Facility (TSTF) located at the University of Wisconsin-Madison. Using measured flow rate and inlet temperature data, the measured temperature distributions of the tests are compared to the predictions of the lumped volume-based models in SAS4A/SASSYS-1, a 1D-based model in SAM, and a 3-D computational fluid dynamics (CFD) model using STAR-CCM+. The relative performance of the various computational methods is assessed with respect to key metrics such as bulk coolant temperature distribution and plenum exit temperature. A total of eight tests are analyzed, covering different combinations of flow rates (3 and 10 GPM) and upper internal structure (UIS) configurations (none, solid, porous, and open) The perfect mixing model of SAS4A/SASSYS-1 provides the highest accuracy when the flow rate is high and there is no UIS in the test vessel, as high flow rate injection promotes thermal mixing of the sodium in the test vessel. For most of the analyzed tests, the stratified volume model of SAS4A/SASSYS-1 is able to predict the delay in the outlet temperature drop and temperature distribution in the test vessel by a small number of layers to represent thermal stratification. However, the stratified volume model can only simulate a maximum of three temperature layers within a volume and when a layer approaches the elevation of the outlet, the predicted outlet temperature can demonstrate rapid, non-physical changes. The 1-D axial mixing model of SAM provides results that agree reasonably well with the measured data in the prediction of the temporal evolution of the outlet temperature with the exception of the case with a high flow rate and no UIS. The SAM 1-D model has a similar level of accuracy to CFD results when it comes to predicting the outlet temperature. CFD shows overall good agreement in predicting the temperature distribution in the test vessel and outlet temperature. As CFD can model the test vessel geometry in detail, it performs well in the cases of complex geometries such as tests that included a UIS and internal flow through the UIS resulting in active mixing of the coolant in the test vessel. Each of the models discussed in the present work has the potential to be useful during the various stages of reactor design, analysis, and licensing. The lumped-volume approach can be applied for fast turnaround safety calculations to obtain overall reactor behavior during transients. The 1-D models provide improved accuracy when stratification is expected for a relatively low increase in the computational cost. The CFD model can be utilized for confirmatory analysis of the 1-D model, when experimental measurements are not available.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Transmissive concentrated photovoltaic module with cooling system

A spectrum splitting, transmissive concentrating photovoltaic (tCPV) module is proposed and designed for a hybrid photovoltaic-solar thermal (PV/T) system. The system may be able to fully utilize the full spectrum of incoming sunlight. By utilizing III-V triple junction solar cells with bandgaps of approximately 2.1 eV, 1.7 eV, and 1.4 eV in the module, ultraviolet (UV) and visible light (in-band light) are absorbed and converted to electricity, while infrared (IR) light (out-of-band light) passes through and is captured by a solar thermal receiver and stored as heat. The stored heat energy may be dispatched as electricity or process heat as needed. The tCPV module may have an overall power conversion efficiency exceeding 43.5% for above bandgap (in-band) light under a standard AM1.5D solar spectrum with an average concentration ratio of 400 suns. Passive and/or active cooling methods may be used to keep cells below 110° C. while transmitting >75% of out-of-band light to the thermal receiver, which may attain thermal energy capture at temperatures as high as 500° C. or more. A transparent active cooling system may improve the CPV module efficiency by about 1% (absolute) relative to a passive cooling system by reducing the maximum cell working temperature by about 16° C.

Escarra, Matthew David↗

Increasing CO 2 Capture Rate in Liquid-Solvent Direct-Air Carbon Capture via Additive Manufacturing

Carbon capture is essential to meeting climate change mitigation goals. One approach currently being commercialized utilizes liquid-based solvents to capture CO 2 directly from the atmosphere but is limited by slow absorption of CO 2 into the liquid. Improved air/solvent liquid mixing increases CO 2 absorption rate, and this increased CO 2 absorption efficiency allows for smaller carbon capture systems with lower capital costs and better economic viability. In this project, we study the use of passive micromixers fabricated by metal additive manufacturing. The micromixer’s small-scale surface geometric features perturb and mix the liquid film to enhance mass transfer and CO 2 absorption. In this project, we evaluated this hypothesis through computational and experimental studies. Computational investigations focused on developing capabilities to simulate thin film (~ 100μm) fluid flow on rough surfaces. Such thin films are in a surface-tension dominated regime and simulations in this regime are prone to instabilities. Improvements to the Nalu code completed in this project resulted in a 10x timestep stability improvement for these problems.

36 MATERIALS SCIENCE↗

Integrated rectifier-generator system for AC-to-DC conversion

This disclosure relates AC-to-DC rectification and power flow control of electrical power generators. An integrated rectifier-generator AC-DC conversion circuit and system are disclosed for providing a regulated DC output. The integrated rectifier-generator AC-DC conversion circuit and system may include serially stacked passive and active rectifiers connected to multiple AC ports of an electrical power generator driven by mechanical energy captured by an energy harvester. The integrated rectifier-generator AC-DC conversion circuit and system may be configured to perform active ripple control and a maximum power tracking from the energy harvester by controlling a fraction of an overall power that flow through the active rectifier.

Huynh, Phuc Thanh↗

Inhibition of Reaction Layer Formation on MgO(100) by Doping with Trace Amounts of Iron

Despite extensive research on MgO’s reactivity in the presence of CO 2 under various conditions, little is known about whether impurities incorporated into the solid, such as iron, enhance or impede hydroxylation and carbonation reactions. The purity of the MgO required for the successful implementation of MgO looping as a direct air capture technology affects the deployment costs. With this motivation, we tested how incorporated iron impacts MgO (100) reactivity and passivation layer formation under ambient conditions by using atomic force microscopy, electron microscopy, and synchrotron-based X-ray scattering. Based on electron microprobe analysis, our MgO samples were 0.5 wt % iron, and Mössbauer spectroscopy results indicated that 70% of the iron is present as Fe(II). We find that even these low levels of iron dopants impeded both the hydroxylation at various relative humidities (10%, 33%, 75%, and >95%) and carbonation in CO 2 (33%, 75%, and >95%) on the (100) surface. Crystalline reaction products were formed. Reaction layers on the sample were easily removed by exposing the sample to deionized water for 2 min. Overall, our findings demonstrate that the presence of iron dopants slows the reaction rate of MgO, indicating that MgO without incorporated iron is preferable for mineral looping applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dielectric screening in perovskite photovoltaics

Abstract The performance of perovskite photovoltaics is fundamentally impeded by the presence of undesirable defects that contribute to non-radiative losses within the devices. Although mitigating these losses has been extensively reported by numerous passivation strategies, a detailed understanding of loss origins within the devices remains elusive. Here, we demonstrate that the defect capturing probability estimated by the capture cross-section is decreased by varying the dielectric response, producing the dielectric screening effect in the perovskite. The resulting perovskites also show reduced surface recombination and a weaker electron-phonon coupling. All of these boost the power conversion efficiency to 22.3% for an inverted perovskite photovoltaic device with a high open-circuit voltage of 1.25 V and a low voltage deficit of 0.37 V (a bandgap ~1.62 eV). Our results provide not only an in-depth understanding of the carrier capture processes in perovskites, but also a promising pathway for realizing highly efficient devices via dielectric regulation.

14 SOLAR ENERGY↗