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At least 235 records · Page 13

Analysis of solid uranium particulates on cotton swipes with an automated microextraction-ICP-MS system

Here, an automated microextraction method coupled to an inductively coupled plasma – mass spectrometer (ICP-MS) was developed for the direct analysis of solid uranium particulates on the surface of cotton swipes. The microextraction probe extracts particulates from the sample surface, in a flowing solvent, and directs the removed analyte to an ICP-MS for isotopic determination. The automated system utilizes a mechanical XY stage that is software controlled with the capability of saving and returning to specific locations and a camera focused to the swipe surface for optimal viewing of the extracted locations (i.e., material present). Here, particulates (n = 135) were extracted and measured by ICP-MS, including 35 depleted uranyl nitrate hexahydrate (UN) (used for mass bias corrections), 50 uranyl fluoride (UO 2 F 2 ), and 50 uranyl acetate (UAc) particulates. Blank extractions were performed on the cotton swipes between triplicate sample analyses. Between each swipe extraction, the probe was sent between two wells containing 10% and 5% HNO 3 to clean the probe head and to eliminate any analyte carryover between particulates. The measured 235 U/ 238 U and 234 U/ 238 U isotope ratios for the UO 2 F 2 particulates were 0.00725(8) and 0.000054(4), a percent relative difference (% RD) of –0.041% and –1.7% from the reference isotope ratios determined in-lab through multi-collector ICP-MS analysis of dissolved aliquots of the U material. The UAc samples had a measured 235 U/ 238 U isotope ratio of 0.00206(7), a –0.96% relative difference from the reference value of 0.00208(1). The 234 U/ 238 U and 236 U/ 238 U isotope ratios were 0.000008(1) and 0.000031(4), –5.1% RD and –4.3% RD, respectively. The automated sample stage enabled seamless and rapid particle analysis, leading to a significant increase in throughput versus what was previously possible. Additionally, the saved location capability reduced user sampling error as sampling locations were easily stored and recalled. Analysis of U particles on the swipe surface – including blanks, mass bias, and triplicate extractions – was completed in less than an hour without any sample preparation necessary.

47 OTHER INSTRUMENTATION↗

Variation in Cation Adsorption Mechanism Controlled by Chemical and Structural Heterogeneities at the Quartz (101)–Water Interface

Mineral–water interfacial reactions are central to chemical processes that control the fate of nutrients and contaminants in natural environments. Mineral surfaces commonly have complex structures and compositions whose impact on interfacial reactivity is poorly understood. Here, in this work, we investigated the effects of surface heterogeneities on Rb + sorption at the quartz (101)–10 mM RbCl solution interface at pH 9.8 using in situ high-resolution X-ray reflectivity. Two surface locales (i.e., Spots A and B) having distinct interfacial structures were chosen: Spot A was characterized by its low defect density (≤20% topmost Si vacancies) and Rb + adsorption occurred predominantly as an inner-sphere complex. In comparison, Spot B had a higher defect density (~50% vacancies) and was covered with poorly crystalline SiO 2 . A substantially larger Rb + uptake (i.e., 7-times higher coverage) was observed on this defective surface where Rb + incorporated in the vacancy sites (confirmed by density functional tight binding-based molecular dynamics simulations) or adsorbed directly on the disordered film. These results provide a direct quantification of how surface heterogeneity influences the geochemical behavior of mineral–water interfaces, in particular highlighting the important role of chemical and structural defects on the sorbate speciation and coverage at silicate mineral surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Additive manufacturing of cobalt-based alloy on tool steel by directed energy deposition

Cladding hard-surfacing alloys on tool steel is an effective approach to enhance the surface properties of tool steel. In this study, a Co-based alloy was deposited on tool steel by Directed Energy Deposition (DED) following a three-factor three-level design of experiment matrix with varied laser power, scan speed, and powder flow rate. The microstructure of the deposits was characterized using scanning electron microscopy (SEM). The residual stress on the surface of the samples was measured by the X-ray diffraction (XRD) sin2? technique. The parameters that produced promising deposits were used to fabricate samples for tensile test, four-point bending test, Charpy impact test, and hardness measurement. Our result reveals that the processing parameters have a significant role in the residual stress of the coatings. Residual stress reduces with the increase of laser energy density. Cracks were found at samples with energy density below a threshold. Tensile testing of the coating/substrate combined structure reveals fracture at the coatings with an ultimate tensile strength of 633.9 ± 54.7 MPa. The bi-material interface survived the tensile test, indicating a strong interfacial bond. The four-point bending test of coating/substrate laminates shows an ultimate flexure strength of 860.6 ± 36.9 MPa. Cracks initiated from the coatings ignored the interface and penetrated the substrate, suggesting a solid bi-material bond. Charpy impact test shows the absorbed energy of coating/substrate laminates is more than doubled that of the substrate.

36 MATERIALS SCIENCE↗

Surface Analysis and Hydrogen Permation Measurements for Super-Permeating Membrane Materials

In this report, we summarize preliminary surface characterization results for Nb surfaces, using low energy ion scattering, direct recoil spectrometry, and Auger electron spectroscopy. While most surface analysis tools cannot detect hydrogen, the low energy ion beam techniques described here are among the few techniques that are directly sensitive to it. For this study, we examined chemisorption using both molecular and atomic hydrogen (using an heated tungsten capillary to dissociate the hydrogen.) To complement these results, we have been performing ex-situ spectroscopic ellipsometry as a means of detecting the surface oxide.

36 MATERIALS SCIENCE↗

Data associated with the manuscript “Radiative impact of record-breaking wildfires from integrated ground-based data” collected in Richland, Washington in September 2020

This data package is associated with the publication “Radiative impact of record-breaking wildfires from integrated ground-based data” submitted to Nature Scientific Reports (Kassianov et al., 2024). Data from ground-based measurements of shortwave and spectrally resolved irradiance and aerosol optical depth (AOD) in the visible and near-infrared spectral ranges were assessed to quantify the radiative impact of the September 2020 wildfires that occurred in the Western United States. Data were collected in September 2020 by several ground-based instruments at the Atmospheric Measurements Laboratory (AML) located in Richland, Washington (46.3451, -119.2792). These data include (1) Aerosol Optical Depth (AOD); (2) spectrally resolved and shortwave (SW) irradiances; (3) backscatter profiles; (4) total sky images; and (5) near-surface ambient air temperatures.The data package consists of five sub-directories: (1) “AML_Ceilometer_”; (2)” AML_CSPHOT_”; (3) “AML_MFRSR_irradiances_”; (4) “AML_SW_irradiances_and_Temp_”; (5) “AML_TSI_images_”; and 6 files stored at the directory level, including the readme, file-level metadata file, and data dictionary. The file-level metadata file (the file ending in “_flmd.csv”) lists all files contained in this data package and descriptions for each. The data dictionary (the file ending in “_dd.csv”) describes each tabular column header’s unit, definition, and structure. Below are descriptions of each sub-directory:“AML_Ceilometer_” includes ceilometer data collected at the AML. These files contain the corresponding narratives of data. Details related to the ceilometer data can be found in Morris (2016). “AML_CSPHOT_” includes ascii files with high-temporal resolution (about 10-15 min) AML CSPHOT data and their daily-averaged counterparts. These two files contain the corresponding narratives of data. Details related to the CSPHOT data can be found in Gregory (2011). “AML_MFRSR_irradiances_” includes ascii files with the AML MFRSR-measured diffuse, normal, and total spectrally resolved irradiance. Details related to the MFRSR data can be found in Hodges and Michalsky (2016) and Koontz et al. (2013). “AML_SW_irradiances_+_Temp_” includes near-surface ambient air temperature and SW irradiances, namely direct normal, diffuse hemispherical, and total hemispheric (global), measured at the AML. These files also incorporate the corresponding narratives of data. Details related to the SW irradiances can be found in Andreas et al. (2018). “AML_TSI_images_” includes Total Sky Images (TSIs) collected at the AML. Details related to the TSI data can be found in Morris (2005).

54 ENVIRONMENTAL SCIENCES↗

Achieving high rate performance in hybrid pristine-recycled cathodes using model-informed electrode designs

Direct recycling lithium-ion battery cathodes, a process that retains the engineered oxide structures from end-of-life materials, presents a cost-effective and energy-efficient alternative to other battery recycling methods. However, while direct-recycled cathodes have demonstrated performance comparable to that of pristine materials at low cycling rates, their high-rate performance remains uncertain. Morphology changes in cathode particles, a main mode of degradation, directly impact rate performance by limiting surface kinetics and solid-phase diffusion. If direct recycling processes do not sufficiently restore pristine-like morphologies, the recycled materials may retain structural defects that hinder high-rate performance. The present work uses a physics-based pseudo-2D model to simulate hybrid electrodes with pristine and artificially “aged/recycled” NMC materials to investigate potential impacts of incorporating performance-limited aged cathode materials into cells. The study highlights how differences in transport and kinetic properties can influence rate capabilities in mixed electrodes — particularly in high-loading cells in high-demand applications. However, model results also reveal a possible mitigation strategy via dual-layer electrode architectures with lower-performing materials positioned near the current collector. Simulations of 4.0 mAh cm −2 cells cycled at 4C using a dual-layer architecture provided approximately 5%–30% more capacity in constant-current protocols compared to homogeneously blended electrode architectures with the same loadings and mixed-material compositions. These findings highlight the importance of strategic electrode design in minimizing potential performance losses and facilitating the integration of recycled materials into high-performance batteries, advancing sustainable and cost-effective battery manufacturing.

25 ENERGY STORAGE↗

Gallidation assisted impurity doping

In one embodiment, a product includes a structure comprising a material of a Group-III-nitride having a dopant, where a concentration of the dopant in the structure has a concentration gradient characteristic of diffusion of the dopant inward from at least a portion of a surface of the structure in a direction substantially normal to the portion of the surface. The structure has less than 1% decomposition of the Group-III-nitride at the surface of the structure.

Voss, Lars↗

Modeling Co2 Flow Through Faulted/Fractured Reservoirs Using Tedfm in Corner-Point Grids

Interest in underground CO2 storage has increased significantly over the last decade, driven by growing concern about global warming and rising levels of greenhouse gases in the atmosphere. Given that CO2 accounts for 80% of these greenhouse gases, carbon capture, utilization, and storage (CCUS) is considered one of the most direct approaches to achieving the net-zero carbon target. Although CO2 storage in deep saline aquifers and depleted gas reservoirs has been studied extensively, most studies use commercial simulators that model faults/fractures by simply modifying the transmissibility in the direction perpendicular to the fault surfaces. This work shows that this simplistic approach ignores the accelerated flow in the directions parallel to the fault plane, leading to significantly higher leakage along the fault surface. To accurately model CO2 flow in faulted reservoirs, we present the first transient embedded discrete-fracture model for corner-point grids (tEDFM-CPG). By comparing the tEDFM-CPG results with high-resolution reference solutions, we show that this approach is accurate and efficient at predicting CO2 flow in faulted/fractured reservoirs. In conclusion, this work presents the use of mixed reality (MR) to efficiently observe CO2 gas migration in the interior of these corner-point grid systems.

02 PETROLEUM↗

Electrically controllable chirality in a nanophotonic interface with a two-dimensional semiconductor

Chiral nanophotonic interfaces enable propagation direction-dependent interactions between guided optical modes and circularly dichroic materials. Electrical tuning of interface chirality would aid active, switchable non-reciprocity in on-chip optoelectronic and photonic circuitry, but remains an outstanding challenge. Here, in this paper, we report electrically controllable chirality in a nanophotonic interface with atomically thin monolayer tungsten diselenide (WSe 2 ). Titanium dioxide waveguides are directly fabricated on the surface of low-disorder, boron nitride-encapsulated WSe 2 . Following integration, photoluminescence from excitonic states into the waveguide can be electrically switched between balanced and directionally biased emission. The operational principle leverages the doping-dependent valley polarization of excitonic states in WSe 2 . Furthermore, the nanophotonic waveguide can function as a near-field source for diffusive exciton fluxes, which display valley and spin polarizations that are inherited from the interface chirality. Our versatile fabrication approach enables the deterministic integration of photonics with van der Waals heterostructures and could provide optical control over their excitonic and charge-carrier behaviour.

42 ENGINEERING↗

Modeling a divertor with mid-leg pumping for high-power H-mode scenarios in DIII-D considering E x B drift flows

Edge-plasma simulations of a baffled, long-legged divertor in DIII-D, performed using the multi-fluid code UEDGE, indicate that the position of the detachment front is constrained to the location of the pump duct along the low-field side (LFS) baffle. Simulations including magnetic and E x B drifts were performed for 12.5 MW deuterium plasmas including intrinsic carbon and seeded neon to assess the optimal location of the LFS divertor pump to create a stable detachment front between the target and the X-point. The radiation front position in the simulations, taken to be indicative of the detachment front, can be controlled between the pump and X-point in the favorable magnetic field direction for H-mode access by moving the pump duct location upstream of the target along the LFS baffle. In the unfavorable magnetic field direction, the radial E θ x B drift flows are directed towards the pumping surface, efficiently removing the injected deuterium gas and limiting the sensitivity of the radiation front location to the gas injection rate. The role of pumping rate and drift direction on the pumping efficiency are also found to affect the divertor plasma conditions and detachment front location in UEDGE simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Direct analysis of cotton swipes for plutonium isotope determination by microextraction-ICP-MS

This study demonstrates a method for determining the isotopic composition of low-level (sub-pg) plutonium (Pu) directly from a cotton swipe. Environmental sample (ES) swipes are routinely employed as a tool for monitoring activities in nuclear facilities. Traditional ES swipe analysis, as employed in nuclear safeguards, utilizes laborious ashing, digestion, and chemical separation procedures prior to mass spectrometric (MS) analysis. Here, an innovative sample introduction technique employing a microextraction probe to extract Pu directly from the swipe surface is described. The microextraction probe lowers onto the swipe surface, seals on a small area (8 mm 2 ), and delivers solvent (2% HNO 3 ) to extract actinide material that may be present. The extracted analyte is subsequently directed into a sector field inductively coupled plasma (ICP)-MS for isotope ratio determination. This microextraction-ICP-MS method successfully determined the isotopic composition ( 240 Pu/ 239 Pu and 242 Pu/ 239 Pu) of three Pu certified reference materials (CRM 136, 137, and 138) that were deposited (1 pg) onto ES swipes. The percent relative difference from the certified value, uncorrected for instrumental fractionation, was <2% for the 240 Pu/ 239 Pu ratio on all three CRMs and <10% for the 242 Pu/ 239 Pu ratio on CRM 136 and 138. Here, the percent relative standard deviation, an estimate of the sample-to-sample isotopic precision, was <4% for the 240 Pu/ 239 Pu and <15% for the 242 Pu/ 239 Pu. Method limits of detection were determined, based on measurements of an enriched 244 Pu material, to be ~7 fg. Additionally, a mixed uranium (U) and Pu deposition was made to determine the method's ability to simultaneously extract U and Pu and determine the isotopic composition of both analytes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Surface stability and H adsorption and diffusion near surfaces of W borides: a first-principles study

Abstract Understanding the behavior of tungsten boride (W x B y ) surfaces in a fusion reactor environment is an important topic since boronization is a common wall conditioning method used in fusion Tokamaks. We report the results of density functional theory calculations that investigate the surface stability of W x B y (tetragonal I4 1 /amd -WB, hexagonal P 6 3 / mmc -WB 2 and tetragonal I4/m- W 2 B) with low-index orientations, as well as hydrogen (H) energetics near W x B y surfaces. For single element terminated W x B y surfaces, B terminated surfaces are more energetically stable than W terminated as a result of significant reconstruction of B. The H surface adsorption energy and activation energy of H diffusion penetration below W x B y surfaces are mainly related to the outer termination. Specifically, the WB(001) surface terminated with two B layers, referred to as WB(001)-T BB , has higher H adsorption affinity and lower H diffusivity on this surface than other terminations, which is controlled by the significant charge transfer from B to H. However, B atoms on the WB 2 (0001)-T BB surface decrease both H adsorption and diffusivity on the surface, but enhance H diffusion below the surface in comparison to W terminated WB 2 (0001) surface. H would be trapped and diffuse within atomic surface gaps on the WB 2 ( 2 1 ˉ 1 ˉ 0 ) surface, while H below the surface layer would jump along the [0001] direction rather than diffuse into bulk. The surface diffusion activation energy of H on the W 2 B(001) surface slightly varies with terminations. Once H crosses the surface layer of W 2 B(001) with either termination, it prefers to diffuse into the bulk, or back towards the surface, rather than move parallel to the surface. Interestingly, WB 2 (0001) and WB 2 ( 2 1 ˉ 1 ˉ 0 ) surfaces will have relatively higher H retention than the other W x B y surfaces evaluated in this work.

Yang, L. (ORCID:0000000322166071)↗

Modeling CO 2 flow through faulted/fractured reservoirs using tEDFM in corner-point grids

The interest in underground CO 2 storage has increased significantly over the last decade because of the rising concern about global warming due to the growing levels of greenhouse gases in the atmosphere. Considering that CO 2 accounts for 80% of these greenhouse gases, carbon capture, utilization, and storage (CCUS) is regarded as one of the most direct approaches to achieving the net zero carbon target. Although CO 2 storage in deep saline aquifers and depleted gas reservoirs has been studied extensively, most studies use commercial simulators that model faults/fractures by simply modifying the transmissibility in the direction perpendicular to the fault surfaces. Here, this work shows that this simplistic approach ignores the accelerated flow in the directions parallel to the fault plane, leading to significantly higher leakage along the fault surface. To accurately model the flow of CO 2 in faulted reservoirs, we present the first transient embedded discrete fracture model for corner-point grids (tEDFM-CPG). By comparing the results of the tEDFM-CPG to high-resolution reference solutions, we show that this approach is accurate and efficient at predicting CO 2 flow in faulted/fractured reservoirs. Finally, this work presents the use of mixed reality (MR) to efficiently observe CO 2 gas migration in the interior of these corner-point grid systems.

25 ENERGY STORAGE↗

TATB ratchet growth and hydrostatically-confined PBX 9502

The explosive TATB (1,3,5-triamino-2,4,6-trinitirobenzene) is formulated with various polymeric binders to create plastic-bonded explosives like PBX 9502 (95 wt% TATB and 5 wt% Kel-F binder). TATB crystals are graphitic and plate-like in nature and single crystals exhibit anisotropic thermal expansion where the direction normal to the platelet surface grows 10-20 times more than the in-plane platelet direction. Compactions of TATB, with and without binder, exhibit irreversible volume expansion, also known as ratchet growth, when thermal cycled to hot or cold temperatures. Specifically, when TATB-based compactions return to ambient after a temperature excursion away from room temperature, the volume of the specimen is slightly larger. Repeated thermal cycles can reduce the density by 1 to 2%. Axial confinement on a cylindrical specimen has previously been shown by us to suppress growth in the confining direction but then increase growth in the unconfined directions (likely due to creep effects). In the work presented here, PBX 9502 specimens were placed in cup assemblies where they were embedded in Sylgard (an incompressible silicon resin) to provide hydrostatic confinement when the assemblies were placed under different axial loads. The loaded cup assemblies were thermally cycled 10 times to hot and cold temperatures. Finally, results show that increasing the hydrostatic confining pressure causes a decrease in the PBX 9502 volume expansion that occurs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Effect of nozzle translation on a bounded vortex flow

A bounded vortex flow is generated by a nozzle that combines azimuthally tilted downward jets in a circular array and a central suction port. When the nozzle is directed toward a bottom surface (called the impingement surface), the flow develops a strong intake vortex spanning from the impingement surface to the suction port, which acts to generate strong shear stress on the impingement surface. This strong shear stress can aid in removing particles attached to the impingement surface or in enhancement of heat or mass transfer, where in typical applications, the nozzle would be translated along the impingement surface. This paper reports on a computational study of the effect of nozzle translation on the bounded vortex flow field. The nozzle translation induces a bending of the bounded vortex in the downstream flow direction, which becomes larger with increase in the nozzle translation speed. We identify an interesting oscillatory phenomenon by which the bounded vortex can resist the bending induced by the translational flow and rotate about a mean position downstream of the suction port. At sufficiently high translation speeds, the oscillatory process can no longer resist the downwash effect from nozzle translation and the vortex eventually detaches from the impingement surface, limiting the effectiveness of this flow device.

42 ENGINEERING↗

Particle removal from a flat surface using a translating bounded vortex flow

A bounded vortex flow is a hydrodynamic approach for removal of particles from a surface without scattering the particles onto nearby surfaces. The bounded vortex flow field is generated by a nozzle that combines azimuthally tilted jets arranged in a circular pattern and a central suction port. When the nozzle face is directed toward an ‘impingement surface’, the flow develops a wall-normal intake vortex below the suction outlet, which causes high shear stress on the impingement surface. When particles are present on the impingement surface, the high shear stress causes particles to roll along the surface and to be lifted off the surface and transported up the core of the wall-normal vortex into the suction outlet. In typical applications, the nozzle would be translated along the impingement surface to clean particles from the surface. The current paper reports on an experimental study of the effect of nozzle translation on the effectiveness of the bounded vortex flow field for particle mitigation. The effectiveness of particle mitigation was examined as a function of flow rate through the nozzle, particle size, and nozzle translation velocity relative to the impingement surface. As a result, numerical computations are used to relate the flow rate to the maximum shear stress on the impingement surface, which is then used to theoretically predict onset of particle motion.

42 ENGINEERING↗

Net lithium deposition and dominant self-sputtering in lithium tokamak experiment-β with a liquid lithium wall

We observed enhanced net lithium deposition and lithium erosion, possibly dominated by physical sputtering of lithium by lithium-ion bombardment, on the outer plasma-facing surface in the Lithium Tokamak eXperiment-β (LTX-β) during liquid lithium wall operations. Silicon crystal samples with micro-trenches (30 μm × 30 μm × 2–7 μm deep) were exposed to hydrogen plasmas in LTX-β for solid and liquid lithium wall operations. Post-mortem analysis using X-ray photoelectron spectroscopy combined with argon ion sputtering measured net lithium deposition of 8.2 or 21 nm on the silicon crystal surface exposed for ~ 50 repeated shots of ~ 50-ms hydrogen plasma discharges during the liquid lithium wall operations at a vessel temperature of 475 K. Energy dispersive X-ray spectroscopy measured oxygen concentration patterns on the micro-trench floors, which were due to oxidized lithium deposition. Using the inhomogeneous oxygen concentration pattern caused by an ion-shadowing effect associated with the micro-trench’s geometric structure, we determined a polar incident ion direction of 68.4 ± 1.6° referenced to the surface normal direction. This observation was well-explained by the hypothesis that self-sputtering of Li was a dominant lithium erosion source in addition to lithium sputtering by hydrogen bombardment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

An improved method for direct incident solar radiation calculation from hourly solar insolation data in building energy simulation

Solar radiation considerably influences the energy consumption of buildings and the power production of building integrated photovoltaic (BIPV) systems. Hourly solar insolation (Wh/m 2 ), represented as the amount of solar irradiance collected on the ground during a 1-h period, is the most common solar radiation data available and widely used in weather files applied in building energy modeling programs (BEMPs). Because the solar beam and position vary over time, the use of hourly insolation data as the input might result in errors in the estimation of the direct incident solar radiation on a particular surface. In this study, methods used in BEMPs for direct incident solar radiation calculations are first analyzed, and an improved method adopting a new algorithm for estimating the solar irradiance is proposed. Furthermore, the algorithm assumes that the solar irradiance changes linearly within a 1-h period and can be estimated based on the solar irradiance at the half clock and slope. The collected direct normal solar irradiance data of 2016 from eight solar radiation stations in China were used to demonstrate the proposed method and evaluate its performance by comparing the results with those from three conventional methods used in BEMPs along with the ground truth measurements. In addition, in this study, factors affecting the accuracy of the calculation results are explored. The results of the estimated direct incident solar radiation show that the proposed method achieves the best accuracy, followed by the methods used in DOE-2, EnergyPlus, and DeST. The proposed method guarantees that the hourly direct solar insolation will remain the same and reflects the variation in the direct solar irradiance across a 1-h time frame. The proposed method can be adopted in BEMPs to improve the accuracy of the solar radiation calculation, thereby improving the accuracy of the simulated building performance and the BIPV production.

14 SOLAR ENERGY↗