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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Grating-Based Imaging-Scattering with Portable Neutron Generator

Company: Adelphi Technology, Inc. Title: Grating-Based Imaging-Scattering with Portable Neutron Generator PI: Dr. Jay Theodore Cremer, Jr. Topic: 26a Statement of the problem or situation that is being addressed. Successful plant growth depends upon an efficient and robust root system. The plant root is part of a larger system of water and microbial flows in the soil system. While much effort has been exerted to develop an imaging system for water, microbes, and roots, the problem is challenging, and no widely accepted imaging method currently exists. The optical solutions use a highly modified soil system. X-ray imaging methods are insensitive to the soft tissues in the presence of sand. Thermal neutron imaging has been often tested, but found inadequate, due to limited access and low image resolution. This project will develop a new strategy for neutron imaging of plant/soil systems. The project will allow long duration experiments in greenhouse environments and increase the image information content to the micron scale. General statement of how this problem is being addressed. Portable, rugged thermal and fast neutron sources are being developed where portable means a two-soldier team can carry the source and power unit to survey rough terrain for explosives. In the past decade, microfabrication of X-ray and thermal/cold neutron optics has opened a new imaging strategy. The standard transmission image is now supplemented with simultaneous acquisition of a phase contrast image and an image revealing scattering features. In materials science, the interferometric neutron scattering image has been used to detect early crack formation in stressed additive manufacturing test samples. The detection requires sensitivity to scattering features at the 1-micron scale. By addition of our proposed grating-optic to Adelphi Technology’s radiographic/tomographic imaging system, which is based on portable thermal neutron source, the resulting thermal neutron scatter image of the plant/soil system, will reveal details at 1-micron. Commercial Applications and Other Benefits Neutron interferometry imaging has greater penetration through large metal components compared to industrial X-ray imaging. The low-cost, large area optics developed for greenhouse applications, combined with the robust, portable neutron generator, can then be marketed as a system for inspection of additive manufactured components. In the aerospace industry, all freshly printed components are validated with X-ray CT. Scheduled maintenance again requires X-ray CT as the ability to predict aerospace component lifetime does not yet exist. Large aerospace components are only partially observed with X-ray imaging. Key Words Neutron radiography/tomography, grating interferometry, thermal neutron generator imaging, plant root and soil imaging, rhizosphere imaging, deployable neutron imaging systems Summary for Members of Congress A rugged, portable source of thermal neutrons is adapted for neutron interferometry imaging with the addition of low-cost, 3D printed optics. The first application of our proposed deployable, compact thermal neutron generator imaging system, using a grating optic, is plant root/soil science in greenhouse settings and agricultural laboratories.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Root architectural plasticity optimizes nutrient acquisition in switchgrass under variable phosphorus forms

Aims Understanding the influence of different forms of phosphorus (P) over the different root traits and how those traits are related to increasing the efficiency of nutrient acquisition strategies. Methods Investigation of switchgrass (Panicum virgatum L.) root morphology responses to inorganic P (Pi) soluble (Potassium-P), insoluble (Aluminum-P), and organic P (Po) (Inositol Hexa-Phosphate, IHex-P) in rhizoboxes. Roots were traced over the root box and scanned using WinRhizoTM. The CRootbox model was employed to simulate root growth. Results Significant plasticity observed under IHex-P treatment, with a 46% increase in root branching, leading to a 74% rise in total root length and a 65% increase in root surface area compared to inorganic P forms. IHex-P resulted in a 73% higher root biomass than Aluminum-P and a 26% increase compared to Potassium-P. Most of the differences were attributed to the elongation of root branches. Conclusions Here, the study emphasizes the dynamic nature of switchgrass root architecture and morphology in response to varying P forms in the soil. The absence of Pi in the soil triggered increased plasticity in root traits, facilitating root access to Po and uptake of P. These findings offer valuable insights into the adaptive mechanisms of perennial plants, with significant implications for optimizing nutrient acquisition strategies in both agricultural and natural ecosystems.

Organic phosphorus↗
DOE OSTI2023

Retractable Sensors for In-Core Use in Material Test Reactors - conf paper

Material Test Reactors (MTRs) such as the Advanced Test Reactor (ATR) at the Idaho National Laboratory (INL) are used to irradiate nuclear fuels and materials to evaluate their performance after high levels of exposure to a reactor in-core environment. The most critical tests are equipped with instrumentation leads, which allow real-time data collection. However, because of the very harsh environment inside high-power MTR experiments, there are very few sensors that can survive and maintain their calibrated readings for the time periods required to obtain the high neutron doses needed for new fuels and materials qualification. As a result, sometimes sponsoring programs are forced to accept low reliability of sensors, collecting useful data for only part of the experiment duration. The work described herein is based on the observation that MTRs normally run at constant power and the corresponding conditions within reactor experiments typically evolve relatively slowly. Therefore, even one or two measurements per day would provide a complete and representative data set. With this in mind, INL has embarked on a program to develop a mechanism capable of pushing a very small-diameter sensor (typically a thermocouple or optical fiber) into the location to be measured, leave the sensor for roughly 60 seconds to allow it to reach equilibrium and transmit the signal, then pull it up and away from the high neutron flux and high-temperature region. Small-diameter capillary tubes, up to 8 m long, are used to guide the sensors to the appropriate locations. These capillary tubes serve as essentially very deep, thin-walled thermowells. The distance a thermocouple or optical fiber would need to traverse is on the order of 40 - 80 cm. By adopting this infrequent cycling strategy, the thermocouple or optical fiber would spend only a few hours in the high-neutron flux/high-temperature environment over the duration of even the longest irradiation experiment. To date, INL has developed two styles of drive mechanisms. The first is based on friction drive wheels which drive the sensors in a manner similar to a small MIG welder. This has the advantage of being able to accommodate a very long insertion length. The second is based on a ball screw drive and has the advantages of positive attachment and being able to move more than one sensor at a time. Both drive mechanisms have been fabricated and tested in a laboratory setting. Both systems can handle hard mineral insulated cable (such as thermocouples) or optical fibers encased in small diameter tube. The sizes tested to date are 1 - 1.6 mm diameter. Work in this area is ongoing with an eye toward demonstration in the Massachusetts Institute of Technology's MITR reactor, followed by deployment in an ATR irradiation experiment.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Retractable Sensors for In-Core Service in Material Test Reactors

Material Test Reactors (MTRs) such as the Advanced Test Reactor (ATR) at the Idaho National Laboratory (INL) are used to irradiate nuclear fuels and materials to evaluate their performance after high levels of exposure to a reactor in-core environment. The most critical tests are equipped with instrumentation leads, which allow real-time data collection. However, because of the very harsh environment inside high-power MTR experiments, there are very few sensors that can survive and maintain their calibrated readings for the time periods required to obtain the high neutron doses needed for new fuels and materials qualification. As a result, sometimes sponsoring programs are forced to accept low reliability of sensors, collecting useful data for only part of the experiment duration. The work described herein is based on the observation that MTRs normally run at constant power and the corresponding conditions within reactor experiments typically evolve relatively slowly. Therefore, even one or two measurements per day would provide a complete and representative data set. With this in mind, INL has embarked on a program to develop a mechanism capable of pushing a very small-diameter sensor (typically a thermocouple or optical fiber) into the location to be measured, leave the sensor for roughly 60 seconds to allow it to reach equilibrium and transmit the signal, then pull it up and away from the high neutron flux and high-temperature region. Small-diameter capillary tubes, up to 8 m long, are used to guide the sensors to the appropriate locations. These capillary tubes serve as essentially very deep, thin-walled thermowells. The distance a thermocouple or optical fiber would need to traverse is on the order of 40 - 80 cm. By adopting this infrequent cycling strategy, the thermocouple or optical fiber would spend only a few hours in the high-neutron flux/high-temperature environment over the duration of even the longest irradiation experiment. To date, INL has developed two styles of drive mechanisms. The first is based on counter-rotating wheels which drive the sensors in a manner similar to a small MIG welder. This has the advantage of being able to accommodate a very long insertion length. The second is based on a ball screw drive and has the advantages of positive attachment and being able to move more than one sensor at a time. Both drive mechanisms have been fabricated and tested in a laboratory setting. Both systems can handle hard mineral insulated cable (such as thermocouples) or optical fibers encased in small diameter tube. The sizes tested to date are 1 - 1.6 mm diameter. Work in this area is ongoing with an eye toward demonstration in the Massachusetts Institute of Technology's MITR reactor, followed by deployment in an ATR irradiation experiment.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Retractable Sensors for In-Core Service in Material Test Reactors

Material Test Reactors (MTRs) such as the Advanced Test Reactor (ATR) at the Idaho National Laboratory (INL) are used to irradiate nuclear fuels and materials to evaluate their performance after high levels of exposure to a reactor in-core environment. The most critical tests are equipped with instrumentation leads, which allow real-time data collection. However, because of the very harsh environment inside high-power MTR experiments, there are very few sensors that can survive and maintain their calibrated readings for the time periods required to obtain the high neutron doses needed for new fuels and materials qualification. As a result, sometimes sponsoring programs are forced to accept low reliability of sensors, collecting useful data for only part of the experiment duration. The work described herein is based on the observation that MTRs normally run at constant power and the corresponding conditions within reactor experiments typically evolve relatively slowly. Therefore, even one or two measurements per day would provide a complete and representative data set. With this in mind, INL has embarked on a program to develop a mechanism capable of pushing a very small-diameter sensor (typically a thermocouple or optical fiber) into the location to be measured, leave the sensor for roughly 60 seconds to allow it to reach equilibrium and transmit the signal, then pull it up and away from the high neutron flux and high-temperature region. Small-diameter capillary tubes, up to 8 m long, are used to guide the sensors to the appropriate locations. These capillary tubes serve as essentially very deep, thin-walled thermowells. The distance a thermocouple or optical fiber would need to traverse is on the order of 40 – 80 cm. By adopting this infrequent cycling strategy, the thermocouple or optical fiber would spend only a few hours in the high-neutron flux/high-temperature environment over the duration of even the longest irradiation experiment. To date, INL has developed two styles of drive mechanisms. The first is based on counter-rotating wheels which drive the sensors in a manner similar to a small MIG welder. This has the advantage of being able to accommodate a very long insertion length. The second is based on a ball screw drive and has the advantages of positive attachment and being able to move more than one sensor at a time. Both drive mechanisms have been fabricated and tested in a laboratory setting. Both systems can handle hard mineral insulated cable (such as thermocouples) or optical fibers encased in small diameter tube. The sizes tested to date are 1 – 1.6 mm diameter. Work in this area is ongoing with an eye toward demonstration in the Massachusetts Institute of Technology’s MITR reactor, followed by deployment in an ATR irradiation experiment.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Identification of blood protein biomarkers associated with prostate cancer risk using genetic prediction models: analysis of over 140,000 subjects

Prostate cancer (PCa) brings huge public health burden in men. A growing number of conventional observational studies report associations of multiple circulating proteins with PCa risk. However, the existing findings may be subject to incoherent biases of conventional epidemiologic studies. To better characterize their associations, herein, we evaluated associations of genetically predicted concentrations of plasma proteins with PCa risk. In this study, we developed comprehensive genetic prediction models for protein levels in plasma. After testing 1308 proteins in 79 194 cases and 61 112 controls of European ancestry included in the consortia of BPC3, CAPS, CRUK, PEGASUS, and PRACTICAL, 24 proteins showed significant associations with PCa risk, including 16 previously reported proteins and eight novel proteins. Of them, 14 proteins showed negative associations and 10 showed positive associations with PCa risk. For 18 of the identified proteins, potential functional somatic changes of encoding genes were detected in PCa patients in The Cancer Genome Atlas (TCGA). Genes encoding these proteins were significantly involved in cancer-related pathways. We further identified drugs targeting the identified proteins, which may serve as candidates for drug repurposing for treating PCa. In conclusion, this study identifies novel protein biomarker candidates for PCa risk, which may provide new perspectives on the etiology of PCa and improve its therapeutic strategies.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Advanced Perovskite Solar Cells and Modules

The “Advanced perovskite Cells and Modules” research project was the final agreement focused on enhancing perovskite solar cell (PSC) technologies funded by the US Department of Energy's Solar Energy Technologies Office. The project was designed to address three crucial areas in PSC development: stability, manufacturability, and efficiency. The project was then structured around three main tasks, each targeting one of these strategic goals. The team of experienced researchers in these materials worked collaboratively to address the targets outlined in the technical work plan. building on existing PSC research while also exploring promising new concepts arising in the field. An overview of each primary task is summarized below: Task 1 Stability: This first task, aims to identify material characteristics and metrics that can help predict the primary degradation mechanisms impacting PSC stability. This involved developing specific device tests based on hypotheses regarding mechanisms impacting stability, including fast failure procedures to speed up PSC development and improvement. Various strategies to enhance stability, like incorporating additives, post-treatments, novel contact materials etc. were developed using this fast feedback approach. The relationships between indoor and outdoor stresses were also validated. Task 2 Manufacturability: This second task, focused on creating a scalable production process for PSCs. Initially the objective is to establish a best-known method for a 182 cm2 minimodule. However, given resource limitations, these metrics were modified to focus on the other goal of outlined in the TWP. Specifically, this task worked to demonstrate the transferability of this best-known method to another research institution. Work scope in this area was expanded to material purity and understanding of reagent/process relationships. Examination of other difficulties in PSC production and potential solutions for large-scale production were also evaluated. Given challenges observed in process transfer, work to develop data infrastructure and recording tools for processing of material and devices was then also prioritized in this task. Task 3 Efficiency: This task was focused on improvements to PCE, while still considering Task 1 and Task 2 goal. The efforts targeted a PCE greater than 22% with a T95 exceeding 1000 hours at 25°C in a nitrogen environment for lab-scale devices (approximately 0.1 cm2 devices) across a range of solar-relevant perovskite compositions, including wide-gap (around 1.7 eV) and low-gap (around 1.3 eV) materials, using standard metal contacts. This work then provides a foundation for MHP-based tandem efforts undertaken in other projects and the All-MHP tandem efforts outlined in this projects TWP. Work in this project emphasized disseminating its findings through peer-reviewed publications (PRP), conference presentations, and industrial collaborations. Significant products were produced in all these areas, over 53 peer reviewed publications, 32 conference presentations and industrial investment based on NLR assistance on precompetitive challenges. The team also developed significant intellectual property and awards for their technical excellence, innovations and leadership. The team also leveraged traditional and social media platforms to engage with stakeholders and the public.

14 SOLAR ENERGY↗
DOE OSTI2024

Adaptive Scalpel Scanning Probe Microscopy for Enhanced Volumetric Sensing in Tomographic Analysis

Controlling nanoscale tip‐induced material removal is crucial for achieving atomic‐level precision in tomographic sensing with atomic force microscopy (AFM). While advances have enabled volumetric probing of conductive features with nanometer accuracy in solid‐state devices, materials, and photovoltaics, limitations in spatial resolution and volumetric sensitivity persist. This work identifies and addresses in‐plane and vertical tip‐sample junction leakage as sources of parasitic contrast in tomographic AFM, hindering real‐space 3D reconstructions. Novel strategies are proposed to overcome these limitations. First, the contrast mechanisms analyzing nanosized conductive features are explored when confining current collection purely to in‐plane transport, thus allowing reconstruction with a reduction in the overestimation of the lateral dimensions. Furthermore, an adaptive tip‐sample biasing scheme is demonstrated for the mitigation of a class of artefacts induced by the high electric field inside the thin oxide when volumetrically reduced. This significantly enhances vertical sensitivity by approaching the intrinsic limits set by quantum tunneling processes, allowing detailed depth analysis in thin dielectrics. The effectiveness of these methods is showcased in tomographic reconstructions of conductive filaments in valence change memory, highlighting the potential for application in nanoelectronics devices and bulk materials and unlocking new limits for tomographic AFM.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Dopant site-dependent luminescence from rare-earth doped dibarium octafluorohafnate Ba 2 HfF 8 nanocubes for radiation detection

Development of new host materials containing heavy elements for radiation detection is highly desirable. In this work, dibarium octafluorohafnate, Ba 2 HfF 8 , doped with rare-earth ions, was synthesized as cube-shaped nanocrystals via a facile hydrothermal method. The host lattice contains two Ba 2+ crystallographic sites, and dopants on these sites exhibit site-dependent photoluminescence (PL), cathodoluminescence (CL) and X-ray excited radioluminescence (RL) characteristics. Single doping contents were optimized as 25 mol% Tb 3+ and 5 mol% Eu 3+ . In Ba 2 HfF 8 :Tb 3+ –Eu 3+ codoped nanocrystals, preferrable occupation of Eu 3+ and Tb 3+ at two different Ba 2+ sites in the host lattice was observed. The nanocubes exhibited enhanced emissions over micron sized particles. In PL, the presence of Tb3+ ions significantly enhanced the emission intensity of Eu 3+ ions due to energy transfer from the Tb 3+ to Eu 3+ ions, while under high-energy irradiation in CL or RL, Tb 3+ emission was intensified. X-ray induced RL with afterglow in seconds was observed. Finally, it was found that the codoped sample showed higher sensitivity than the singly doped sample, indicating that codoping is an effective strategy to develop a scintillator with this host structure for high-energy radiation detection.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2026

Impact of Annealing on Superconducting Properties of Tantalum Thin Films

The pursuit for higher-coherence superconducting qubits has led to the adoption of new materials and innovative fabrication techniques. Among the commonly used superconducting materials, tantalum-based or tantalum-capped superconducting qubits have demonstrated the longest lifetimes, outperforming niobium devices even in the presence of their native oxides. Given the losses introduced by the surface oxide, one method to further improve performance is to reduce or eliminate the native oxide on tantalum through UHV annealing. In this work, we examine the effect of dissolved oxygen as a function of annealing temperature on the superconducting properties of tantalum thin films. Dissolved oxygen is quantified using atom probe tomography (APT) and secondary ion mass spectrometry (TOF-SIMS) and correlated with electromagnetic transport measurements performed using a Physical Property Measurement System (PPMS). This study observes that annealing decomposes the native oxide and drives oxygen diffusion into the film matrix. Increasing oxygen content decreases the superconducting transition temperature (Tc) and the residual resistivity ratio (RRR). The critical field decreases with the incorporation of oxygen, while the film’s coherence length decreases relatively by 5%. These results, as well as findings from ongoing studies linking fabrication processes to the structural and chemical properties of the superconducting film and Josephson junction, provide insight into effective strategies for improving the performance of superconducting devices.

Shinde, Maithilee [IIT, Chicago; Fermilab]↗
DOE OSTI2025

The microscopic mechanisms of high temperature oxidation of Haynes 282

Nickel-based superalloy finds widespread applications in aerospace and extreme environments. They are known for their high temperature oxidation resistance under extended periods. However, the oxide formation and evolution which sets the stages for the later parabolic oxidation kinetics is not fully understood. This paper aims to provide new insights into the transient stage oxidation mechanism and kinetics of a typical Ni-based superalloy (Haynes 282). While tracking the chemical and microstructural evolution under micrometer scale at 800°C, we show that the oxide scale and its grain boundary species change significantly during the initial stages of oxidation and can have a profound impact on the oxidation kinetics. Cr 2 O 3 forms initially at the grain boundary along with minor amount of Al 2 O 3 . Then, the grain boundary region is enriched with copious amounts TiO 2 while Cr migrates away from the grain boundary. A noticeable change in the isothermal oxidation kinetics observed likely results from a mechanistic change from uniform surface oxidation to preferential outward diffusion of Ti 4+ ions through the grain boundary. Through first-principles calculations combined with energy dispersive spectroscopy, we confirmed the preferential outward diffusion of Ti 4+ ions as the diffusion barrier is lower for Ti than Cr along the grain boundaries. In conclusion, these findings highlight the critical role of early-stage grain boundary oxidation dynamics in dictating the long-term oxidation resistance of Ni-based superalloys and provide a foundation for future strategies to enhance their performance in extreme environments.

DFT↗
DOE OSTI2024

Forecasting high-dimensional spatio-temporal systems from sparse measurements

This paper introduces a new neural network architecture designed to forecast high-dimensional spatio-temporal data using only sparse measurements. The architecture uses a two-stage end-to-end framework that combines neural ordinary differential equations (NODEs) with vision transformers. Initially, our approach models the underlying dynamics of complex systems within a low-dimensional space; and then it reconstructs the corresponding high-dimensional spatial fields. Many traditional methods involve decoding high-dimensional spatial fields before modeling the dynamics, while some other methods use an encoder to transition from high-dimensional observations to a latent space for dynamic modeling. In contrast, our approach directly uses sparse measurements to model the dynamics, bypassing the need for an encoder. This direct approach simplifies the modeling process, reduces computational complexity, and enhances the efficiency and scalability of the method for large datasets. We demonstrate the effectiveness of our framework through applications to various spatio-temporal systems, including fluid flows and global weather patterns. Although sparse measurements have limitations, our experiments reveal that they are sufficient to forecast system dynamics accurately over long time horizons. Our results also indicate that the performance of our proposed method remains robust across different sensor placement strategies, with further improvements as the number of sensors increases. This robustness underscores the flexibility of our architecture, particularly in real-world scenarios where sensor data is often sparse and unevenly distributed.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

GPU-enabled extreme-scale turbulence simulations: Fourier pseudo-spectral algorithms at the exascale using OpenMP offloading

Fourier pseudo-spectral methods for nonlinear partial differential equations are of wide interest in many areas of advanced computational science, including direct numerical simulation of three-dimensional (3-D) turbulence governed by the Navier-Stokes equations in fluid dynamics. This paper presents a new capability for simulating turbulence at a new record resolution up to 35 trillion grid points, on the world's first exascale computer, Frontier, comprising AMD MI250x GPUs with HPE's Slingshot interconnect and operated by the US Department of Energy's Oak Ridge Leadership Computing Facility (OLCF). Key programming strategies designed to take maximum advantage of the machine architecture involve performing almost all computations on the GPU which has the same memory capacity as the CPU, performing all-to-all communication among sets of parallel processes directly on the GPU, and targeting GPUs efficiently using OpenMP offloading for intensive number-crunching including 1-D Fast Fourier Transforms (FFT) performed using AMD ROCm library calls. With 99% of computing power on Frontier being on the GPU, leaving the CPU idle leads to a net performance gain via avoiding the overhead of data movement between host and device except when needed for some I/O purposes. Memory footprint including the size of communication buffers for MPI_ALLTOALL is managed carefully to maximize the largest problem size possible for a given node count. Detailed performance data including separate contributions from different categories of operations to the elapsed wall time per step are reported for five grid resolutions, from 2048 3 on a single node to 32768 3 on 4096 or 8192 nodes out of 9408 on the system. Both 1D and 2D domain decompositions which divide a 3D periodic domain into slabs and pencils respectively are implemented. The present code suite (labeled by the acronym GESTS, GPUs for Extreme Scale Turbulence Simulations) achieves a figure of merit (in grid points per second) exceeding goals set in the Center for Accelerated Application Readiness (CAAR) program for Frontier. The performance attained is highly favorable in both weak scaling and strong scaling, with notable departures only for 2048 3 where communication is entirely intra-node, and for 32768 3 , where a challenge due to small message sizes does arise. Communication performance is addressed further using a lightweight test code that performs all-to-all communication in a manner matching the full turbulence simulation code. Performance at large problem sizes is affected by both small message size due to high node counts as well as dragonfly network topology features on the machine, but is consistent with official expectations of sustained performance on Frontier. Overall, although not perfect, the scalability achieved at the extreme problem size of 32768 3 (and up to 8192 nodes — which corresponds to hardware rated at just under 1 exaflop/sec of theoretical peak computational performance) is arguably better than the scalability observed using prior state-of-the-art algorithms on Frontier's predecessor machine (Summit) at OLCF. New science results for the study of intermittency in turbulence enabled by this code and its extensions are to be reported separately in the near future.

3D fast Fourier transform↗
DOE OSTI2026

Continuous Counter‐Current Microfluidic Liquid–Liquid Extraction Achieved Using a Pair of Wettable Screen Meshes

Continuous counter‐current microfluidic liquid–liquid extraction performs separations by flowing immiscible liquids in opposing directions within a single flow channel. In principle, this flow arrangement enables a large number of theoretical separation units in a small footprint, without using interstage valving, pumping, and phase separation. Despite its potential for excellent separation performance, this microfluidic scheme rarely appears in literature due to the requirement for capillary forces to be greater than hydrodynamic forces for stable flow. We present a novel microfluidic device and flow approaches that overcome this force‐balance challenge, enabling stable, long‐duration continuous counter‐current flow. Additionally, we cover a suite of methodologies for quantifying the performance of the microfluidic device, revealing the number of theoretical equilibrium stages achieved. The enabling technologies include a woven mesh screen‐based microfluidic device architecture that is easily fabricated outside of a clean room, surface functionalization strategies to promote conjugate (organic/aqueous) wettability, flow approaches to eliminate bubbles and carryover, and computer‐aided flow automation with optical measurement of extraction performance. The reported experiments lasted for over 36 h, terminated only at experiment conclusion, where the device still exhibited good performance. Automated Raman spectroscopy was used for solute quantitation of the ternary system tert‐butanol in a toluene/water matrix, a ternary system that was specifically chosen to analyze the device's performance with a small solute partition ratio and to enable in‐line Raman measurements of solute concentrations in both phases. The microfluidic device possessed a 55 mm contact length and a 38.5 µL internal volume. During counter‐current flow, we observed approximately 37 equilibrium stages (37 ± 13) based on a best‐fit of the solute fraction remaining in the aqueous phase using a Kremser Group Method analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Characterizing core and edge turbulence regimes with fluctuation imaging diagnostics in Wendelstein 7-X

Two density fluctuation imaging systems, phase contrast imaging (PCI) and gas puff imaging (GPI) measure spatially resolved density fluctuations with high time resolution throughout the core plasma (PCI) and in the scrape-off layer (GPI) of the Wendelstein 7-X (W7-X) stellarator. Both systems combined give a comprehensive overview of overall fluctuation levels, spectral properties such as their distribution in frequency and wavenumber space as well as their spatial distribution. These tools are used to assess changes in density turbulence in three representative discharges that transition into stable divertor detachment by different strategies (impurity seeding, density ramping and power starvation). Several general trends are identified when the radiated power fraction is systematically increased: In the plasma edge, the line emission observed by GPI shifts radially inward with a drop in electron temperature, and normalized intensity fluctuation profiles follow this inward shift. Skewness and kurtosis of these edge fluctuations are reduced, indicating a reduction of large intermittent transport events, and poloidal phase velocities decrease in magnitude. These observations are consistent with a reduced power input into the plasma edge and a general reduction of turbulent activity. Core density fluctuation levels remain nearly constant in the impurity seeding scenario, indicating that detachment does not significantly impact turbulence there. However, a strong reduction in the dominant outboard fluctuation phase velocity is observed that deviates from the previous interpretation of neoclassical radial electric field changes, showing that the core plasma is not completely unaffected. In the density ramp and power starvation scenarios, undesirable and irregular large-scale events arise clearly in both diagnostic systems as the radiative fraction is increased. Impurity seeding therefore seems to be a promising strategy on W7-X to achieve detachment without significantly altering core turbulence, especially when targeting a specific operating point in core density and heating power.

Wendelstein 7-X↗
DOE OSTI2024

Mixed-Chalcogen 2D Silver Phenylchalcogenides (AgE 1– x E x Ph; E = S, Se, Te)

Alloying is a powerful strategy for tuning the electronic band structure and optical properties of semiconductors. Here, we investigate the thermodynamic stability and excitonic properties of mixed-chalcogen alloys of two-dimensional (2D) hybrid organic-inorganic silver phenylchalcogenides (AgEPh; E = S, Se, Te). Using a variety of structural and optical characterization techniques, we demonstrate that the AgSePh-AgTePh system forms homogeneous alloys (AgSe 1-x Te x Ph, 0 ≤ x ≤ 1) across all compositions, whereas the AgSPh-AgSePh and AgSPh-AgTePh systems exhibit distinct miscibility gaps. Density functional theory calculations reveal that chalcogen mixing is energetically unfavorable in all cases, but comparable in magnitude to the ideal entropy of mixing at room temperature. Because AgSePh and AgTePh have the same crystal structure (which is different from AgSPh), alloying is predicted to be thermodynamically preferred over phase separation in the case of AgSePh-AgTePh, whereas phase separation is predicted to be more favorable than alloying for both the AgSPh-AgSePh and AgSPh-AgTePh systems, in agreement with experimental observations. Homogeneous AgSe1-xTexPh alloys exhibit continuously tunable excitonic absorption resonances in the ultraviolet-visible range, while the emission spectrum reveals competition between exciton delocalization and self-trapping behavior. Altogether, these observations provide new insight into the thermodynamics of 2D silver phenylchalcogenides and the effect of lattice composition on electron-phonon interactions in 2D hybrid organic-inorganic semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

New Insights into the Bulk and Surface Defect Structures of Ceria Nanocrystals from Neutron Scattering Study

Neutron diffraction and pair distribution function studies coupled with Raman spectroscopy have successfully unraveled the detailed oxygen defect structures of ceria nanocubes and nanorods. Two types of defect sites are revealed for the ceria nanocrystals: surface and bulk defects. It is proposed that the surface oxygen defects in both types of CeO 2 nanocrystals are predominantly the partially reduced Ce 3 O 5+x , with the bulk defect structures dominated by interstitial Frenkel-type oxygen vacancies. Ceria nanorods possess much higher concentration of surface oxygen defects relative to the nanocubes, albeit with only slightly higher concentration of bulk Frenkel-type oxygen vacancies. Upon annealing the nanorod sample at 600 °C under vacuum (~10 –4 to 10 –5 mbar), a partially reduced ceria phase with long-range oxygen vacancy ordering (Ce 3 O 5+x ) has been observed experimentally for the first time. This intriguing observation that surface defect phases can take on ordered defect sublattices under certain conditions is of great value in understanding the temperature-dependent catalytic performance of ceria nanocrystals. Furthermore, a drastic decrease of the surface vacancies in the ceria nanocrystals is observed upon exposure to SO 2 , especially for the nanorods, a likely origin for the sulfur poisoning effect on ceria-based materials. This study suggests that tailoring surface morphology is a promising strategy to control defect properties of ceria nanomaterials. It also provides fundamental insights to stabilize surface oxygen defects in CeO 2 nanocrystals to achieve high redox performance under corrosive environments such as under SO 2 /SO x exposure.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Population Genomics of Pseudocercospora griseola Reveals New Groups in the Middle American Clade and the Presence of the Endophytic Bacterium Achromobacter xylosoxidans

Angular leaf spot (ALS), caused by Pseudocercospora griseola is an important disease of common beans. P. griseola, is highly variable and has co-evolved with its host. In this study, 48 isolates of P. griseola from Puerto Rico, Guatemala, Honduras and Tanzania were sequenced (3RADseq), resulting in the de novo assembly of 42,214 contigs. Phylogenomic, population genetic structure and principal component analyses using 1,260 SNPs divided these isolates into two populations, Andean and Middle American, while the Middle American population was further divided into three sub-populations. There were moderate to high levels of differentiation between P. griseola populations, with pairwise Fst values ranging from 0.11 to 0.95. The Andean population was composed of isolates from Tanzania, and was separated from the Middle American population (Fst = 0.95). The Middle American population was separated into 3 subpopulations including isolates from: 1. Guatemala and Honduras, 2. Tanzania, and 3. Puerto Rico. Pathogenicity testing of 27 isolates from Puerto Rico, using 12 common bean differential lines, identified ten races, but these races were not associated with SNPs found in virulence genes. DNA of an endophytic bacterium (Achromobacter xylosoxidans) was found in seven mildly virulent isolates suggesting a possible role of the bacterium in the observed virulence patterns. To understand the evolution and diversity of P. griseola, further study of the virulence genes and the interactions among the endophytic bacterium, the fungus, and the host plant is required. Such information is critical to inform breeding strategies for the development of resistant germplasm and cultivars.

Serrato-Diaz, Luz M. [U.S. Department of Agricultu↗