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At least 73 records · Page 4

Smart Droplets Stabilized by Designer Surfactants: From Biomimicry to Active Motion to Materials Healing

The science and technologies of emulsion droplets have been a long‐term focus of extensive research endeavors for their practical utility across a breadth of industries, including pharmaceutical products, oil recovery processes, and the food sciences. However, with advances in materials chemistry and characterization tools, new emerging areas are arising with a focus on “smart droplets”. The versatility of emulsion droplets across is based on their ability to partition and create isolated systems with properties defined by the liquid–liquid interface, while preparative routes allow manipulation of droplet size, stability, and encapsulated contents. As described in this article, significant efforts are being devoted to creating new types of droplets by “activating” this interface through the incorporation of reactive structures that trigger droplet response to applied or environmental stimuli (e.g., pH, temperature, salt, or external fields). Moreover, parallels between droplets and live cells inspire efforts to conceive systems that resemble biological motifs or that can produce cellular behaviors that imitate biology (e.g., swarming, communication, or motion). Here, the authors highlight recent advances in smart droplets, with emphasis on organic, polymer, and/or particle surfactants that give rise to inter‐droplet communication (via aggregation, fusion, division, or mass transfer), droplet vehicles for controlled delivery, autonomous droplet motion, and tunable emulsion inversion. Especially emphasized is the macromolecular design to produce reactive and functional surfactants, which are crucial to responsive droplet behavior and their underlying mechanisms. More generally, the exquisite interplay between materials science and biology inspires the review of this research area that provides unique opportunities for insight and inspiration into the capabilities of new droplet designs.

36 MATERIALS SCIENCE↗

Advancing 1D thermo-hydraulic tools for large cryogenic facilities

The Cryogenic Division at Fermilab develops large-scale cryogenic systems for particle accelerators and superconducting test facilities. To support design and diagnostics, a Python-based code was created to calculate pressure drops in components such as valves and pipes. This paper presents recent enhancements to the code, including new heat transfer functions that improve the accuracy of thermal and hydraulic predictions. The first application models pressure and temperature changes in PIP-II relief pipes, aiding pipe sizing and protecting relief valves. The second example analyzes heat load evolution in a pipe carrying sub-atmospheric helium, helping interpret temperature sensor data and understand gas return behavior to cold compressors. These improvements significantly expand the tool’s capabilities, offering a practical resource for designing and troubleshooting cryogenic systems under dynamic thermal and flow conditions.

Beckwith, Rosalyn [Fermilab]↗

Field Validation of MVA Technology for Offshore CCS: Novel Ultra-High-Resolution 3D Marine Seismic Technology (P-Cable) (Final Report)

The objectives of the proposed study were to deploy and validate a specific monitoring technology, high-resolution 3D marine seismic (HR3D), appropriate for large-demonstration and commercial-scale offshore CCS sites. The project accomplished successful acquisition two HR3D seismic surveys. The first HR3D dataset was over the offshore injection site of the Tomakomai, Japan integrated pilot CCS project, which at the time of survey acquisition was actively injecting CO 2 . The first survey also represented a successful international collaboration between the DOE NETL program and Japan’s national CCS program and was the first successful acquisition and use of HR3D over an active CO 2 injection site (Meckel, Feng et al. 2019). The Tomakomai HR3D survey successfully tested a novel 4-streamer HR3D system array in which, for the first time, no cross-cable (aka “P-Cable”) was utilized and only four GeoEel streamers were used instead of the standard 12-streamer configuration. Consequently, this was not, strictly speaking, a deployment of the “P-Cable” system of (Planke and Berndt 2004) but rather a modified version, thereof, and it is the first known demonstration of the modified system configuration. One very positive outcome from the Japanese collaboration earlier in the project was the ability to learn from the Japanese how they used tail buoys with GPS to determine the position of the seismic source and receivers in time and space. Based on that experience, GCCC designed and built six GPS receivers that could be used to position the streamer receivers and the seismic source via tail buoys. A fundamental advance that was made on the original design, was the ability to directly power the tail buoy GPS units and transfer data through the streamers (i.e., vs. the batteries used at Tomakomai). The bulkiness of the GPS batteries caused drag and episodic surging of the buoys, which affected data quality by lifting up the tail end of the streamers so the receivers were not at the same depth. The units were tested onshore for accuracy and functionality, and the design was subsequently and successfully tested in marine acquisition mode during the SLP survey acquisition. The marine acquisition test and survey satisfied Subtasks 2.2.2, Novel Positioning Technology Selection and Subtask 2.2.3, Novel Positioning Technology Deployment. Results of the novel positioning technology selection (Subtask 2.2.2) were considered successful and will be incorporated in future HR3D seismic acquisition projects to reduce costs, improve deployment safety at sea, and integrate both seismic and data recording via a single data transfer through the streamers to the recording system. The project also established a permitting process through NETL NEPA compliance, which included an Environmental Assessment in a marine setting and is required for conducting these types of surveys using Federal funding. The permitting process charted a “boilerplate,” which can allow future surveys related to other funded projects to move forward more expeditiously. Future improvements that could be considered are more robust seals on the GPS module and stronger materials (especially joints) on tail buoy fabrication. These would increase fixed costs, but would be advisable and probably more economic long-term if multiple HR3D surveys are planned. Project Accomplishments include: • Pre-survey Sensitivity Study • Marine geochemistry methods and data analysis • Successful HR3D seismic dataset acquired @ Tomakomai active CO 2 injection marine site • Developed advanced seismic processing techniques • No NRMS anomalies detected in overburden; Demonstration of containment • Repeatability study • Second survey collected @ San Luis Pass, TX • 4D application using positioning techniques developed in the project for monitoring were successful

3D seismic GPS positioning↗

Advancing 1D thermo-hydraulic tools for large cryogenic facilities

The Cryogenic Division at Fermilab develops large-scale cryogenic systems for particle accelerators and superconducting magnet test facilities. To support design and diagnostics, a Python-based code was created to calculate pressure drops in components such as valves and pipes. This paper presents recent enhancements to the code, including new heat transfer functions that improve the accuracy of thermal and hydraulic predictions. The first application models pressure and temperature changes in Proton Improvement Plant PIP-II relief pipes, aiding pipe sizing and protecting relief valves. The second example analyses heat load evolution in a pipe carrying sub-atmospheric helium, helping interpret temperature sensor data and understand gas return behavior to cold compressors. These improvements significantly expand the tool's capabilities, offering a practical resource for designing and troubleshooting cryogenic systems under dynamic thermal and flow conditions.

Beckwith, R. [Fermilab]↗

Enhancement of Carbon Capture Reactor Performance (Final Technical Report)

Significant challenges are still present in post-combustion CO 2 capture and new technologies and advanced components are needed to significantly advance the deployment of CO 2 capture for natural gas combined cycle (NGCC) plants. Critical elements of CO 2 capture that still need to be addressed include how to increase CO 2 mass transfer in the absorber column with liquid to gas ratios of <1.2, while reducing the size of the absorber column to reduce capital costs. Research involving chemical mechanism with design, synthesis, and assembly of materials with targeted functionally were combined with advanced additive manufacturing techniques towards development of enhanced CO 2 capture reactors that can lead to safe, reliable, and low-cost carbon capture technologies. The objective of the project was to develop and test novel carbon capture materials and reactor components that contribute to increased CO 2 mass transfer through increased turbulent gas-liquid interface and improved solvent wetting within the absorber. A technoeconomic analysis (TEA) was completed showing how the proposed technology decreases capital costs by reducing the size of the absorber column and the amount of packing required for high CO 2 capture rates. A technology maturation plan (TMP) was also developed to describe the current technology readiness levels (TRL) and outline additional research and development (R&D) needed to further develop these advanced components for NGCC CO 2 capture plants. The successful completion of this project has shown a pathway to reduce the absorber size and associated construction costs of post-combustion NGCC CO 2 capture systems at 97% capture and promote the utilization of abundant natural gas for production of reliable electricity.

20 FOSSIL-FUELED POWER PLANTS↗

Software-Defined Virtual Synchronous Condenser

Synchronous condensers (SCs) play important roles in integrating wind energy into relatively weak power grids. However, the design of SCs usually depends on specific application requirements and may not be adaptive enough to the frequently-changing grid conditions caused by the transition from conventional to renewable power generation. This paper devises a software-defined virtual synchronous condenser (SDViSC) method to address the challenges. Our contributions are fourfold: 1) design of a virtual synchronous condenser (ViSC) to enable full converter wind turbines to provide built-in SC functionalities; 2) engineering SDViSCs to transfer hardware-based ViSC controllers into software services, where a Tustin transformation-based software-defined control algorithm guarantees accurate tracking of fast dynamics under limited communication bandwidth; 3) a software-defined networking-enhanced SDViSC communication scheme to allow enhanced communication reliability and reduced communication bandwidth occupation; and 4) Prototype of SDViSC on our real-time, cyber-in-the-loop digital twin of large-wind-farm in an RTDS environment. Furthermore, extensive test results validate the excellent performance of SDViSC to support reliable and resilient operations of wind farms under various physical and cyber conditions.

17 WIND ENERGY↗

Heterogeneous Integration of Flipped Oxide Heterostructure Membranes for Nanoelectronics

Freestanding complex oxide membranes enable the release and transfer of epitaxial films, offering new design freedoms for next‐generation electronics. While the LaAlO 3 /SrTiO 3 (LAO/STO) heterostructure exhibits remarkable tunable conductivity at its interface, the active interface remains buried beneath the substrate, limiting access to this functionality. Here, we demonstrate how the LAO/STO heterostructure, in membrane form, can be flipped and precisely positioned on silicon and other platforms using polymer‐free micromanipulation. The transferred membranes preserve atomically smooth surfaces, high crystallinity, and key electronic properties. Through the 44‐nm insulating STO layer, ultra‐low‐voltage electron‐beam lithography (ULV‐EBL) writes conductive nanostructures at the now‐accessible STO/LAO interface, offering the potential to function as programmable local gates that modulate charge carriers in the underlying silicon. The platform establishes a general strategy for integrating complex oxide heterostructures with semiconductors, quantum materials, and flexible substrates, enabling new architectures for reprogrammable nanoelectronic devices.

36 MATERIALS SCIENCE↗

Application and performance of the novel Elcomat 5000 autocollimator in slope-measuring profilometry of beamline optics

Autocollimators are used in profilometers for the precise form measurement of beam-shaping optics for synchrotron light sources and x-ray free-electron lasers. This application requires using an aperture stop, typically 2.5 mm in diameter, which limits the footprint of the autocollimator’s measuring beam on the optics to achieve a sufficiently high lateral resolution. Central to the development of profilometry has been the availability of commercial autocollimators, such as the Elcomat 3000 from Möller–Wedel Optical. Although autocollimators are generally not designed for use with small apertures, this device has proven capable and has become the de facto standard. Now that it has been replaced by the Elcomat 5000, we evaluate the performance of several autocollimators of this type at small apertures, including the characterization of instrument transfer functions with a chirped height profile. We demonstrate that the Elcomat 5000 is capable of repeatable angle measurements with a standard deviation of 0.014 arcsec at an aperture diameter of 1.6 mm, whereas the Elcomat 3000 achieves 0.03 arcsec at 2.5 mm, comparing models with modified reticle designs. Here, we also investigate the influence of optical aberrations of the autocollimator’s objective and their changes with the path length to the surface under test. We characterize the sensitivity of the angle measurement to changes in environmental parameters, in particular, barometric pressure. These efforts are aimed at approaching fundamental limits in the characterization of the shape of optical surfaces with autocollimator-based profilometers so that these are ready for characterizing the next generation of synchrotron and XFEL beamline optics.

angle metrology↗

Excitation energy transfer in proteoliposomes reconstituted with LH2 and RC-LH1 complexes from Rhodobacter sphaeroides

Abstract Light-harvesting 2 (LH2) and reaction-centre light-harvesting 1 (RC-LH1) complexes purified from the photosynthetic bacterium Rhodobacter (Rba.) sphaeroides were reconstituted into proteoliposomes either separately, or together at three different LH2:RC-LH1 ratios, for excitation energy transfer studies. Atomic force microscopy (AFM) was used to investigate the distribution and association of the complexes within the proteoliposome membranes. Absorption and fluorescence emission spectra were similar for LH2 complexes in detergent and liposomes, indicating that reconstitution retains the structural and optical properties of the LH2 complexes. Analysis of fluorescence emission shows that when LH2 forms an extensive series of contacts with other such complexes, fluorescence is quenched by 52.6 ± 1.4%. In mixed proteoliposomes, specific excitation of carotenoids in LH2 donor complexes resulted in emission of fluorescence from acceptor RC-LH1 complexes engineered to assemble with no carotenoids. Extents of energy transfer were measured by fluorescence lifetime microscopy; the 0.72 ± 0.08 ns lifetime in LH2-only membranes decreases to 0.43 ± 0.04 ns with a ratio of 2:1 LH2 to RC-LH1, and to 0.35 ± 0.05 ns for a 1:1 ratio, corresponding to energy transfer efficiencies of 40 ± 14% and 51 ± 18%, respectively. No further improvement is seen with a 0.5:1 LH2 to RC-LH1 ratio. Thus, LH2 and RC-LH1 complexes perform their light harvesting and energy transfer roles when reconstituted into proteoliposomes, providing a way to integrate native, non-native, engineered and de novo designed light-harvesting complexes into functional photosynthetic systems.

59 BASIC BIOLOGICAL SCIENCES↗

Interpreting Tafel behavior of consecutive electrochemical reactions through combined thermodynamic and steady state microkinetic approaches

Assessing the reaction pathway of multi-electron-transfer reactions is an essential yet difficult task for the rational design of electrocatalysts. In this work, we develop a heuristic approach that combines thermodynamic adsorption energetics calculated through density functional theory with microkinetic modeling using the steady state approximation to interpret the potential-dependent Tafel behavior of consecutive electrochemical reactions. In doing so, we introduce a kinetic framework for ab initio calculations that ensures self-consistent adsorption energetics based on kinetically limited adsorbate coverages. The approach is applied to experimental results on CoO x (OH) 2-x single crystal electrocatalyst particles yielding coverage dependent mechanistic information and identification of the rate-limiting step with standard rate constants for the oxygen evolution reaction on the ($11\bar{2}0$) surfaces of the β-Co(OH) 2 , β-CoOOH, and CoO 2 bulk phases. Finally, this generalizable method enables catalyst benchmarking based on determining the active species involved and associated intrinsic reaction rate constants in consecutive multi-electron-transfer reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Statistical description of coalescing magnetic islands via magnetic reconnection

The physical picture of interacting magnetic islands provides a useful paradigm for certain plasma dynamics in a variety of physical environments, such as the solar corona, the heliosheath and the Earth's magnetosphere. In this work, we derive an island kinetic equation to describe the evolution of the island distribution function (in area and in flux of islands) subject to a collisional integral designed to account for the role of magnetic reconnection during island mergers. This equation is used to study the inverse transfer of magnetic energy through the coalescence of magnetic islands in two dimensions. We solve our island kinetic equation numerically for three different types of initial distribution: Dirac delta, Gaussian and power-law distributions. The time evolution of several key quantities is found to agree well with our analytical predictions: magnetic energy decays as $\tilde {t}^{-1}$ , the number of islands decreases as $\tilde {t}^{-1}$ and the averaged area of islands grows as $\tilde {t}$ , where $\tilde {t}$ is the time normalised to the characteristic reconnection time scale of islands. General properties of the distribution function and the magnetic energy spectrum are also studied. Finally, we discuss the underlying connection of our island-merger models to the (self-similar) decay of magnetohydrodynamic turbulence.

Physics↗

Manufacturing of Fabric Electrodes using a High-Throughput Screening Platform for Redox Flow Batteries

The objective of this project is to establish a new manufacturing methodology with machine learning- based high-throughput screening for the design and development of hierarchical structured, high-performance fabric electrodes for redox flow batteries (RFBs). The end goal of the project is to design and manufacture fabric electrodes for RFB applications that can provide 250 mA/cm2 current density operation for 100-cycles with 80% average energy efficiency. This was accomplished by first examining the structure-performance-property linkages of the electrodes provided by our partner, AvCarb. The electrodes’ microstructure was characterized by determining their pore size distribution, tortuosity, specific surface area, and porosity. The ohmic, charge transfer and mass transfer resistances were then calculated using electrochemical impedance spectroscopy. Carbon cloth electrodes showed the greatest resistance, which was dominated by charge transfer resistance, which we believe is related to the surface functionalization. Full cell cycling was used in order to determine the area specific resistance and energy efficiency of the cells. All of this experimental data and the results of the mathematical model (to increase the amount of inputs with parametric sweeping) were used to develop a machine learning-based model for the design of high-performance fabric electrodes. Using the results from the machine learning tool, optimized electrodes were fabricated by AvCarb. The ohmic, charge transfer and mass transfer resistances for these new electrodes were measured, and both performed better than any of the initial samples which had been provided by AvCarb.

25 ENERGY STORAGE↗

Molecular Design Principles for Photosystem I-Based Biohybrid Solar Fuel Catalysts

Direct solar-to-chemical conversion offers a compelling route to clean, dispatchable energy. Photosystem I (PSI), an evolutionarily optimized light-driven oxidoreductase, can be repurposed for solar-fuel production by coupling its photochemistry to catalytic interfaces. However, the molecular determinants that govern productive electron transfer to abiotic catalysts remain poorly understood. Here, we present molecular structures of active PSI-Pt nanoparticle (PtNP) biohybrids that reveal how protein architecture controls catalyst access, binding geometry, and photocatalytic efficiency. Removal of stromal subunits exposes the electron transfer chain and enables PtNP binding proximal to the F X cluster, demonstrating that steric occlusion limits access to native acceptor regions in PSI. In contrast, in trimeric PSI, PtNPs bind at multiple sites per monomer, but only a subset are positioned within electron transfer distance of terminal cofactors, resulting in a heterogeneous population of productive and nonproductive configurations. Structural analyses and molecular dynamics simulations define the interface topology, electrostatics, and cofactor-to-nanoparticle distances that govern catalyst binding and electron transfer. These results establish that catalytic inefficiency arises not only from intrinsic electron transfer constraints but also from the distribution of binding geometries imposed by the protein scaffold. Together, these findings provide a molecular framework linking protein structure to biohybrid function and define design principles for engineering PSI-based solar fuel systems and protein-nanomaterial interfaces for light-driven catalysis.

biohybrid↗

Bichromatic Wave Selection for Validation of the Difference-Frequency Transfer Function for the OC6 Validation Campaign: Preprint

The focus of the Offshore Code Comparison Collaboration, Continuation, with Correlation and unCertainity (OC6) project, which operates under the International Energy Agency (IEA) Wind Task 30, is to refine the accuracy of engineering tools used to design offshore wind turbines. In support of this work, a new validation campaign is being developed that seeks to better understand the nonlinear wave loading that excites floating wind systems at their low-frequency, rigid-body modes in surge and pitch. The validation data will be used in a three-way validation between simplified engineering tools and higher-fidelity tools, such as computational fluid dynamics (CFD). Irregular wave spectrums, which are traditionally used to examine the nonlinear wave interaction with offshore structures, are too computationally expensive to be simulated in CFD tools, and so bichromatic wave cases will be used instead. This paper reviews the process used to choose the bichromatic wave pairs to be used in the campaign to validate the second-order difference-frequency quadratic and potential loads at the surge and pitch natural frequencies of a floating semisubmersible.

17 WIND ENERGY↗

Isolated Single-stage Three-phase AC/DC Converter using Bidirectional Switches

The advent of the SiC Bidirectional FET (BiDFET), a monolithic 1.2 kV bidirectional switch, has rendered the single-stage three-phase AC/DC converter topology a promising approach for implementing AC/DC converters. This topology, which integrates a full-bridge converter with a single-phase to three-phase matrix converter via a high-frequency transformer, is particularly suitable for applications requiring galvanic isolation, buck-boost functionality, and bidirectional power flow. The single-stage design eliminates the need for bulky and unreliable electrolytic capacitors, and utilizes a single magnetic component for power transfer. In the matrix converter, bidirectional switches, which were traditionally implemented using combinations of multiple semiconductor devices such as MOSFETs, IGBTs, and diodes, can now be realized using the single-chip solution, BiDFET. This advancement leads to a lower switch count, compact converter implementation, with lower inductance commutation cells, thereby enhancing the overall efficiency and compactness of the system. The paper presents a unified model of the converter, considering all control parameters, including the duty cycles and phase shift of transformer voltages. Detailed expressions for power transfer, transformer currents, and currents at AC and DC ports are provided. Additionally, the paper outlines the conditions necessary for soft-switching of all switches and the commutation schemes required for the practical implementation of the matrix converter modulation scheme. A hardware prototype of a 10 kW, 480 VRMS, LL/ 800 V AC/DC system has been developed, and experimental results are presented to demonstrate its performance.

BiDFET↗

Surface Charge Distribution Mapping Using an Electrostatic Probe

Undesired accumulation of charge on dielectric materials causing electrostatic discharges can be an issue in pulsed power systems and electrical systems in general. As such, an understanding of surface charge distribution, charge accumulation, and decay is required. An in-house no-contact electrostatic probe designed with a 2 mm resolution was fabricated to measure and map surface charge distribution. Designed as a contactless instrument, the probe consisting of a metal rod and low leakage amplifier circuit probes the electric potential near the surface. A scan of the surface then provides the raw data, a potential distribution. The actual probe response - i.e., the surface charge to voltage transfer function, is accounted for in post-processing. This is accomplished via an Inverse Wien Filter - a technique often applied in image processing - to deconvolve the probe response from the measured data. A commercially available electrostatic probe, the Trek 341B meter with a 3455ET probe, capable of measuring +/- 20 kV was compared to the in- house probe that is designed to cover a wider range from +/- 35 kV. A resolution better than the simple probe resolution is achieved through the distribution’s scanning voltage method and deconvolution. Applying repeated scans, surface charge decay was tracked on various polymer materials to determine the material and environment dependence; materials included were PA6, PTFE, and others. As an example of material dependence, samples charged to 20 kV at 65% humidity experience full charge decay in approximately 45 seconds for PA5 (152 mm dia.), while it took about 100 times longer for PTFE (51 mm dia.) to observe the same decay/redistribution of charge.

36 MATERIALS SCIENCE↗

Facile design of renewable lignin copolymers by photoinitiated RAFT polymerization as Pickering emulsion stabilizers

As the richest aromatic renewable resource, lignin has attracted significant attention for fabricating various materials. However, due to lignin's structural complexity, an effective and facile structural modification strategy remains a substantial challenge. Herein, we have successfully applied photoinitiated reversible addition–fragmentation chain transfer (RAFT) as a versatile tool to synthesize amphiphilic lignin copolymers with lignin derivatives as the macroinitiator. The experimental and density functional theory analysis systematically investigated the photopolymerization kinetics, proving excellent control over molecular weights. Additionally, 1 H NMR and FT-IR analyses confirmed the well-designed structures. Moreover, the structures of copolymers were tunable by simple variations of monomer structures. Finally, the self-assembly of the synthesized copolymers into nanoparticles was explored, together with the potential applications as Pickering emulsion stabilizers. Finally, we believe that this work will offer a facile and green approach to synthesize lignin-based novel copolymers and further expand its applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Manipulating symmetry-breaking charge separation employing molecular recognition

The exploration of symmetry-breaking charge separation (SB-CS) is imperative when designing functional light-harvesting materials. Past explorations, however, have been confined to covalent systems, more often than not requiring complicated/demanding syntheses and facing inconvenient regulation of charge transfer processes. Here, in this work, we present a concept that regulates the efficiency of SB-CS through molecular recognition utilizing a pyridinium-based cyclophane as a host. This host undergoes photo-driven excited-state SB-CS. By employing different guests with distinct frontier molecular orbital energy levels, we have achieved comprehensive control of electron transfer pathways in the cyclophane, modulating between accelerated (>10-fold) intramolecular SB-CS involving superexchange and direct intermolecular electron transfer between the host and guest. The improvement in SB-CS efficiency results in catalytic activity for the photo-oxidation of a sulfur-mustard simulant. This research offers an opportunity for tuning SB-CS by utilizing molecular recognition, which holds the potential for achieving precise regulation without complicated organic syntheses.

charge transfer↗