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687 records · Page 14

UNIFI Specifications for Grid-Forming Inverter-Based Resources: Version 3

The UNiversal Interoperability for grid-Forming Inverters (UNIFI) Consortium addresses fundamental challenges facing the integration of grid-forming (GFM) inverters in electric grids alongside rotating machines and other inverter-based resources (IBRs). This document defines a set of UNIFI specifications for GFM IBRs that provides requirements from both a power system level as well as functional requirements at the inverter level that are intended to provide means for the vendor-agnostic operation of GFM IBRs at any scale in electric power systems.

14 SOLAR ENERGY

Polymer coatings on zirconia microspheres via rotating flow fluid dynamics

Conventional tristructural isotropic (TRISO) coatings for nuclear fuels require multi-step and expensive formation processes; any breakage of the coatings may lead to fission species release. Polymer derived ceramic (PDC) coatings can be a suitable alternative to address these issues. In this study, allylhydridopolycarbosilane (SMP-10) coatings were created on yttria stabilized zirconia (YSZ) microspheres using a Rotating Flow Fluid Dynamics (RFFD) coating method. The effects of curing temperature, rotation speed, and coating cycle/time on the coating were analyzed. Surface functionalization of YSZ microspheres with NaOH resulted in good adhesion between the polymer precursor and the YSZ kernel particles. Spectroscopy analysis revealed complete curing of SMP-10 coated YSZ at 160 °C. Rotation speed and coating time significantly affect the coating characteristics. After 3 cycles at lower rotation speed (50 rpm) for 10 min each, the coating obtained was uniform and homogeneous. In comparison, the coating showed almost 10 times less eccentricity at a high rotation speed of 300 rpm. Compared with the coatings prepared at 300 rpm condition, the coatings have higher sphericity and lower eccentricity at 50 rpm. Overall, this study provides a novel and effective route for fabricating and curing SMP-10 precursor coatings on YSZ microspheres.

Ravi, Nivetha [University of Alabama, Birmingham]

Optimal experimental design using eigenvalue-based criteria with Pyomo.DoE

New developments in automated optimal experimental design within the PSE+ software ecosystem. Advancements in user experience (to reduce the time taken to perform optimal experiment design) and computational capabilities (allowing more diverse experimental design) are shown with an example relevant to critical minerals and materials. Also, a small tutorial on science-based optimal experimental design and novel contributions therein are presented.

97 MATHEMATICS AND COMPUTING

Evaluating Polymer Properties with Different Additives for Carbon Capture and Other Applications

Anthropogenic climate change is one of this generation’s most pressing concerns, with the potential to completely alter the delicate balance we’ve struck with nature. Already, global temperatures have risen 1.29°C, leading to disrupted weather systems, extinctions, increased risks of wildfires, and sea level rise, to name a few effects. Carbon dioxide emission from the combustion of fossil fuels and other industrial activity is a large driver of this phenomenon, as it absorbs heat before it can be radiated away from Earth, trapping it. Carbon dioxide has reached unprecedented levels in our atmosphere, showing a 50% increase from preindustrial averages to a whopping 430 ppm. Thus, reducing the amount of carbon dioxide via carbon capture technology is an important endeavor that serves to benefit everyone. The Microencapsulated CO 2 Sorbent (MECS) team at Lawrence Livermore National Laboratory (LLNL) has turned to microencapsulation to approach this endeavor. Microcapsules provide an attractive approach to carbon capture, combining large surface areas for more efficient mass transfer, regenerative abilities, reduced solvent loss, and improved handling. Additionally, while existing carbon capture technology relies on industrial plants, capsules could present a modular approach to carbon capture, reducing the need for extensive physical infrastructure. The MECS team’s design consists of a polymer membrane that contains a liquid carbon sequestering sorbent, aqueous sodium carbonate. The carbon capturing reaction occurs in three distinct steps, the first of which is the dissolution of carbon dioxide into the sorbent solution and its conversion into carbonic acid (H 2 CO 3 ), shown in equations 1 and 2 respectively. Because this step hinges upon the ability of carbon dioxide to reach the solution inside the capsule, it is necessary that the microcapsule shell is permeable to carbon dioxide gas. The MECS team produces these microcapsules using the in-air droplet encapsulation apparatus (IDEA) shown in figure 1, which can produce uniform micron-scale droplets at speeds much faster than traditional single-dispersal microfluidic-based techniques. The IDEA Is 100 times faster than these current techniques and can reach up to 1000 times their speed when incorporating a multi-nozzle design. Additionally, because droplets are produced in-air via vibration, IDEA can decrease post-processing times and material waste by 99% and can fabricate microgels that are 10 to 100 times more viscous than can be produced via traditional microfluidics. While this design represents a breakthrough in the throughput, efficiency, and tunability of microcapsule production, it imposes a major constraint on the microcapsule curing process. Because microcapsule shells are crosslinked with UV light while falling 30 cm through the air, this gives them a reaction window of approximately 0.2 seconds. Thus, the system and shell formulations must be optimized such that the shells can be fully crosslinked within this very narrow window, prompting investigations into curing behavior.

36 MATERIALS SCIENCE

Utility Experience with Inverter Based Resource Impacts on Transmission Protection

High penetration of inverter-based resources (IBR) can adversely affect the transmission protection schemes in the area. With the proliferation of IBRs, utilities are finding out that conventional protection schemes are not adequately equipped to protect the electric systems because the existing system has been designed based on the fault current response of conventional rotating-machine-based generators. In several cases, the available literature does not provide any clear solution for the issues when the protection scheme does not operate properly near IBRs. This report identifies various protection challenges due to IBRs that industry is facing, from the utility perspective. It includes a broad review of all challenges that system protection has experienced so far with high penetration of IBRs. Key issues have been identified based on a survey of different utility protection engineers. Finally, fault event recordings are shown to demonstrate some actual cases of mis-operations of relays near IBRs.

24 POWER TRANSMISSION AND DISTRIBUTION

A First-Principles Study of the Structural and Thermo-Mechanical Properties of Tungsten-Based Plasma-Facing Materials

Tungsten (W) and tungsten alloys are being considered as leading candidates for structural and functional materials in future fusion energy devices. The most attractive properties of tungsten for the design of magnetic and inertial fusion energy reactors are its high melting point, high thermal conductivity, low sputtering yield, and low long-term disposal radioactive footprint. Despite these relevant features, there is a lack of understanding of how the structural and mechanical properties of W-based alloys are affected by the temperature in fusion power plants. In this work, we present a study on the thermo-mechanical properties of five W-based plasma-facing materials. First-principles density functional theory (DFT) calculations are combined with the quasi-harmonic approximation (QHA) theory to investigate the electronic, structural, mechanical, and thermal properties of these W-based alloys as a function of temperature. The coefficient of thermal expansion, temperature-dependent elastic constants, and several elastic parameters, including bulk and Young’s modulus, are calculated. Our work advances the understanding of the structural and thermo-mechanical behavior of W-based materials, thus providing insights into the design and selection of candidate plasma-facing materials in fusion energy devices.

42 ENGINEERING

Divergent Rickettsia species exhibit distinct mechanisms of actin-based motility

Many Rickettsia species undergo actin-based motility to promote cell-cell spread during infection. Rickettsial genomes often encode two motility effectors, RickA and Sca2, which in the spotted fever group I species, Rickettsia parkeri act by activating the host Arp2/3 complex and by mimicking eukaryotic formins, respectively. The function of RickA and Sca2 orthologs in the distantly related species Rickettsia bellii was unclear. We report that R. bellii RickA activates the host Arp2/3 complex but has no discernible role in bacterial motility. The R. bellii Sca2 ortholog, Sca2/6, nucleates and elongates actin with a flexible structure and an unusual actin monomer-binding motif in a mechanism distinct from formins or other microbial actin nucleators. R. bellii motility is solely correlated with Sca2/6 localization and, compared with R. parkeri motility, is slow and meandering, generating distinctly organized actin tails. The evolutionary flexibility in the mechanism and regulation of rickettsial actin-based motility suggests similar adaptability for other microbes.

Bacher, Meghan C

Digital Twin Based Condition Monitoring of LCC-LCC Inductive Power Transfer Systems

Inductive power transfer (IPT) systems provide a flexible, hands-free charging opportunity to electric vehicles (EV). The resonant network components and the transmitter and receiver coils are often subjected to high voltages or currents. Component aging in the compensation network and coils of resonant IPT systems is detrimental to the reliability and power transfer efficiency of the IPT system. Monitoring the component health of such multi-element complex systems requires robust optimization algorithms. This paper discusses condition monitoring of a resonant IPT system for an EV charger using a digital twin model. A hybrid estimation algorithm based on genetic algorithms and adaptive particle swarm optimization is developed to estimate the parameters of the digital twin model. Simulation results are used to verify the monitoring capabilities of the developed algorithm under various operating conditions of the IPT system.

Weldehawaryat, Lidya Mussie [graduate research ass

Reverse Logistics Ev Battery Recycling Agent Base Model

This represents the initial regional tier of the electric vehicle (EV) battery recycling agent base model. Through this model, we can ascertain the number of EV purchases at both the state and regional levels. We employ census data to develop a diverse household profile to inform decisions regarding the acquisition of new or used EVs. The number of EV purchases at the state level will affect the future demand for recycling, reuse, and repurposing of end-of-life EV batteries. Additionally, tax credits, EV rebate programs, and the financial capacity of households will influence the number of EV purchases, thereby further impacting the demand for EV battery recycling.

Alam, Lamia [Idaho National Laboratory (INL), Idah

Assessment of Molybdate Based Corrosion Inhibitor for use at the Savannah River Tank Farm Cooling Water System

The Savannah River Site (SRS) has relied on 51 underground storage tanks, many dating back to the 1950s, to store radioactive liquid waste generated from nuclear processing and radionuclide production. These tanks use carbon steel cooling coils, cooled by soft, acidic water, to dissipate the decayed heat produced by radioactive waste. For decades, following historical industry practices, chromate has been added to the cooling water (~450 ppm at pH 9-11) to effectively inhibit corrosion, ensuring cooling coil longevity. Inspections of failed coils reveal that chromate-treated surfaces are generally well-preserved.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W

The Impact of Bias Row Noise to Photometric Accuracy: Case Study Based on a Scientific CMOS Detector

Abstract We tested a new model of CMOS detector manufactured by the Gpixel Inc, for potential space astronomical application. In laboratory, we obtain some bias images under the typical application environment. In these bias images, clear random row noise pattern is observed. The row noise also contains some characteristic spatial frequencies. We quantitatively estimated the impact of this feature to photometric measurements, by making simulated images. We compared different bias noise types under strict parameter control. The result shows the row noise will significantly deteriorate the photometric accuracy. It effectively increases the readout noise by a factor of 2–10. However, if it is properly removed, the image quality and photometric accuracy will be significantly improved.

Astronomy & Astrophysics

A Phenazine‐Based Two‐Dimensional Covalent Organic Framework for Photochemical CO 2 Reduction with Increased Selectivity for Two‐Carbon Products

Abstract The reduction of carbon dioxide (CO₂) into valuable products will contribute to sustainable carbon use. Here we report the photocatalytic reduction of CO₂ to carbon monoxide, formate, and oxalate ions using a redox‐active phenazine‐based 2D covalent organic framework (Phen‐COF) and its phenazine monomer. Under similar irradiation conditions,Phen‐COFproduced 2.9 times more CO, 11 times more formate, and 13 times more oxalate compared to equimolar amounts of the monomeric phenazine, demonstrating that the COF architecture enhances catalytic performance (TOF COF : 10 −7 s −1 CO, 10 −8 s −1 formate, and 10 −11 s −1 oxalate). Structural analysis, including X‐ray diffraction and N₂ porosimetry, confirmed the COF's long‐range order and porosity. Mechanistic studies suggest a sequential formate‐to‐oxalate pathway, with CO and formate acting as intermediates. These results demonstrate the potential of the COF architecture to improve the performance of metal‐free, redox‐active aromatic systems such as phenazines to facilitate efficient and selective CO₂ conversion under mild conditions.

Chemistry

Optimizing Renewable Ammonia Production for a Sustainable Fertilizer Supply Chain Transition

Local renewable ammonia production using electrolytic hydrogen is an emerging approach to alleviate emissions attributed to synthetic nitrogen fertilizer production while also insulating against fluctuations in fertilizer prices and mitigating transportation costs and emissions. However, replacing ammonia currently produced using fossil fuels will not be immediate. To this end, we develop a supply chain transition model, which first optimizes the design and hourly operation of new renewable ammonia facilities to minimize production costs and then optimizes the annual installation timing, production scale, and location of these new renewable facilities along with ammonia transportation to meet county resolution demands. The objective is to augment and eventually replace conventional ammonia market imports in an economically competitive manner. We performed a case study for Minnesota's ammonia supply chain and found that a full transition to in-state renewable production by 2032 is optimal. This is incentivized by the U.S. federal government's clean hydrogen production credits. This transition results in 99 % reduction in carbon intensity along with stable supply costs below $475 per metric tonne. New renewable production facilities are an order of magnitude smaller than existing conventional plants. They use both wind and solar resources and operate dynamically to minimize expensive battery and hydrogen storage capacities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Fast, Nondestructive and Precise Biomass Measurements Are Possible Using Lidar-Based Convex Hull and Voxelization Algorithms

Light detection and ranging (lidar) scanning tools are available that can make rapid digital estimations of biomass. Voxelization and convex hull are two algorithms used to calculate the volume of the scanned plant canopy, which is correlated with biomass, often the primary trait of interest. Voxelization splits the scans into regular-sized cubes, or voxels, whereas the convex hull algorithm creates a polygon mesh around the outermost points of the point cloud and calculates the volume within that mesh. In this study, digital estimates of biomass were correlated against hand-harvested biomass for field-grown corn, broom corn, and energy sorghum. Voxelization (r = 0.92) and convex hull (r = 0.95) both correlated well with plant dry biomass. Lidar data were also collected in a large breeding trial with nearly 900 genotypes of energy sorghum. In contrast to the manual harvest studies, digital biomass estimations correlated poorly with yield collected from a forage harvester for both voxel count (r = 0.32) and convex hull volume (r = 0.39). However, further analysis showed that the coefficient of variation (CV, a measure of variability) for harvester-based estimates of biomass was greater than the CV of the voxel and convex-hull-based biomass estimates, indicating that poor correlation was due to harvester imprecision, not digital estimations. Overall, results indicate that the lidar-based digital biomass estimates presented here are comparable or more precise than current approaches.

Environmental Sciences & Ecology

Elucidation of Design Criteria for V‐based Redox Mediators: Structure‐Function Relationships that Dictate Rates of Heterogeneous Electron Transfer

Redox mediators are attractive solutions for addressing the stringent kinetic stipulations required for efficient energy conversion processes. In this work, we compare the electrochemical properties of four vanadium complexes, namely [V(acac) 3 ], [V 6 O 7 (OMe) 12 ], [ n Bu 4 N] 3 [V 6 O 13 (TRIS NO2 ) 2 ], and [ n Bu 4 N] 5 [V 18 O 46 (NO 3 )] in non-aqueous solutions on glassy carbon electrodes. The goal of this study is to investigate the electron transfer kinetics and diffusivity of these compounds under identical experimental conditions to develop an understanding of structure-function relationships that dictate the physicochemical properties of vanadium oxide assemblies. Complex selection was dictated by two criteria – (1) nuclearity of the transition metal complexes (2) distribution of electron density in the native electronic configuration. In conclusion, our analyses establish that electronic communication between metal centers significantly impacts charge transfer kinetics of these vanadium-based compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Fine-Grained Power and Energy Attribution on AMD GPU/APU-Based Exascale Nodes

Modern exascale GPU- and APU-based systems provide multiple power and energy sensors, but differences in scope, update rate, timing, and filtering complicate the attribution of short-lived accelerator activity. This paper presents a methodology to characterize and correct these effects on Cray EX systems with AMD Instinct MI250X GPUs (Frontier) and MI300A APUs (Portage). Using controlled square-wave workloads, we quantify update intervals, delay, aliasing, and variability across up to 512 GPUs and 480 APUs with on-chip (rocm-smi/amd-smi) and off-chip Cray Power Management sensors. We reconstruct power from cumulative energy counters to achieve faster response times, validate it against on-chip, off-chip, and node-level sensors, and integrate the resulting streams into a Score-P/PAPI-based tool for time-aligned, phase-level attribution. Applied to rocHPL, rocHPL-MxP, and HPG-MxP, the method separates energy savings due to reduced runtime from changes in power. Mixed precision reduces node energy on Frontier by 79% for rocHPL-MxP and 31% for HPG-MxP, with similar trends on Portage. These results provide portable guidance for sensor validation and power-aware optimization on current and future exascale systems.

Mcdaniel, Adam [ORNL] (ORCID:000000016926028X)