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At least 649 records · Page 36

Finding middle ground: Flow regimes designed for salmon and energy value

In regulated rivers, shaping seasonal flows to recover species at risk depends on understanding when to expect conflicts with competing water users and when their interests are aligned. Multi-objective optimization can be used to reveal such conflicts and commonalities. When species are involved, multi-objective optimization is challenged by the need to simulate complex species responses to flow regimes. Previously, we addressed that challenge by developing a simplified salmon model (Quantus) that defines cohorts of salmon by the river section and time in which they were spawned. Salmon in these space-time cohorts are tracked from the time redds (nests) are constructed until the cohort exits the tributary en route to the ocean. In this study, we modeled seasonal patterns in energy value and developed a Pareto-optimal frontier of seasonal flow patterns to maximize in-river salmon survival and hydropower value. Candidate flow regimes were characterized by two pulse flows varying in magnitude, timing, and duration and constrained by a total annual flow near the historical median. Our analysis revealed times when economic and salmon objectives were aligned and times when they differed. Pulse flows that favored higher energy value were timed to meet demand during extreme temperatures. Both salmon and hydropower objectives produced optimal flow regimes with pulse flows in early summer, but only solutions favoring hydropower value included high flows in mid-winter. Solutions favoring higher age-0 salmon survival provided an extended pulse flow in late winter/early spring, which suggests that access to productive floodplain habitat allowed faster growth and earlier out-migration and reduced the need for higher temperature-moderating flows later in spring. Minimum flows were also higher among solutions favoring salmon over energy. The tools used to produce these results can help to design simplified seasonal flow regimes by revealing compromise solutions that satisfy both fish and energy producers and highlighting when potential conflicts are likely.

54 ENVIRONMENTAL SCIENCES↗

Robust Decentralized Learning Using ADMM With Unreliable Agents

Many signal processing and machine learning problems can be formulated as consensus optimization problems which can be solved efficiently via a cooperative multi-agent system. However, the agents in the system can be unreliable due to a variety of reasons: noise, faults and attacks. Providing erroneous updates leads the optimization process in a wrong direction, and degrades the performance of distributed machine learning algorithms. This paper considers the problem of decentralized learning using ADMM in the presence of unreliable agents. First, we rigorously analyze the effect of erroneous updates (in ADMM learning iterations) on the convergence behavior of the multi-agent system. We show that the algorithm linearly converges to a neighborhood of the optimal solution under certain conditions and characterize the neighborhood size analytically. Next, we provide guidelines for network design to achieve a faster convergence to the neighborhood. Here, we also provide conditions on the erroneous updates for exact convergence to the optimal solution. Finally, to mitigate the influence of unreliable agents, we propose ROAD , a robust variant of ADMM, and show its resilience to unreliable agents with an exact convergence to the optimum.

97 MATHEMATICS AND COMPUTING↗

Design-Technology Co-Optimization for NVM-based Neuromorphic Processing Elements

An emerging use-case of machine learning (ML) is to train a model on a high-performance system and deploy the trained model on energy-constrained embedded systems. Neuromorphic hardware platforms, which operate on principles of the biological brain, can significantly lower the energy overhead of a machine learning inference task, making these platforms an attractive solution for embedded ML systems. In this paper, we present a design-technology tradeoff analysis to implement such inference tasks on the processing elements (PEs) of a Non-Volatile Memory (NVM)-based neuromorphic hardware. Through detailed circuit-level simulations at scaled process technology nodes, we show the negative impact of technology scaling on the information-processing latency, which impacts the quality-of-service (QoS) of an embedded ML system. At a finer granularity, the latency inside a PE depends on 1) the delay introduced by parasitic components on its current paths, and 2) the varying delay to sense different resistance states of its NVM cells. Based on these two observations, we make the following three contributions. First, on the technology front, we propose an optimization scheme where the NVM resistance state that takes the longest time to sense is set on current paths having the least delay, and vice versa, reducing the average PE latency, which improves the QoS. Second, on the architecture front, we introduce isolation transistors within each PE to partition it into regions that can be individually power-gated, reducing both latency and energy. Finally, on the system-software front, we propose a mechanism to leverage the proposed technological and architectural enhancements when implementing a machine-learning inference task on neuromorphic PEs of the hardware. Evaluations with a recent neuromorphic hardware architecture show that our proposed design-technology co-optimization approach improves both performance and energy efficiency of machine-learning inference tasks without incurring high cost-per-bit.

42 ENGINEERING↗

The FastrSHWFS Project Development Motivation, Analysis, & Test Results

The recent 2020 Decadal Survey of Astronomy and Astrophysics listed habitable exoplanet imaging with future extreme adaptive optics (AO) on 30m-class telescopes as a key priority in the coming decade. However, there is a current 100x contrast gap between the best systems today and what is needed to enable this goal. Astronomical AO is a required approach to enable ground-based diffraction-limited imaging of exoplanets on future extremely large telescopes. Time lag between the end of an exposure and the application of deformable mirror commands is a major contributor to the error budget in many AO systems, and detector read time is often a large component of this lag. We present two designs for a modified Shack Hartmann wavefront sensor (SHWFS), named Focal plane Actualized Shifted Technique Realized for a SHWFS (fastrSHWFS), to reduce the time lag component. This design steers the spot pattern at the focal plane into a rectangular or linear array with a custom aspect ratio, reducing readout time. The mask with focus yields aberrated results while the mask with tip/tilt only yields some defined spots. This essay outlines the current SHWFS concept, our fastrSHWFS theoretical solution to addressing time lag, reflection and quality analysis of printed mask designs, and results from testing both masks on the High Contrast Testbed at Lawrence Livermore National Lab. This work follows the test of a previous fastrSHWFS design.

79 ASTRONOMY AND ASTROPHYSICS↗

Manipulation of intramolecular hydrogen bonds in conjugated pseudoladder polymer for semiconductivity and solution-processability

The conformational coplanarity and local rigidity of π-conjugated backbones are critical for the semiconducting performance of organic electronic materials. The conformational coplanarity and local rigidity of π-conjugated backbones are critical for the semiconducting performance of organic electronic materials. While fusing the aromatic system into a ladder-type structure effectively enhances these properties, it also often results in poor solution processability and hence limits their transition to device application. To address this challenge, an intramolecularly hydrogen-bonded pseudoladder polymer (HPLP) system based on alternating hydrogen bond donating benzobisimidazole (BBI) and hydrogen bond accepting benzodifuran (BDF) units, is designed and synthesized. A Boc-protected precursor of HPLP allows for feasible solution processing of the polymer into thin films. Subsequently, in situ thermal Boc-deprotection generates the HPLP polymer, in which intramolecular hydrogen bonds form between each pair of neighboring repeating units, inducing coplanarity and rigidity throughout the entire backbone. This process is accompanied by a significant red-shift of the absorption spectrum, reduced bandgap, and enhanced rigidity, as confirmed by NMR, UV-Vis, and density functional theory analyses. HPLP films exhibit a three-order-of-magnitude enhancement in charge carrier mobility compared to the Boc-protected precursor and demonstrate excellent solvent resistance in organic thin-film transistors.

Miranda, Octavio↗

CMOS-Based Single-Cycle in-Memory XOR/XNOR

Big data applications are on the rise, and so is the number of data centers. The ever-increasing massive data pool needs to be periodically backed up in a secure environment. Moreover, a massive amount of securely backed-up data is required for training binary convolutional neural networks for image classification. XOR and XNOR operations are essential for large-scale data copy verification, encryption, and classification algorithms. The disproportionate speed of existing compute and memory units makes the von Neumann architecture inefficient to perform these Boolean operations. Compute-in-memory (CiM) has proved to be an optimum approach for such bulk computations. The existing CiM-based XOR/XNOR techniques either require multiple cycles for computing or add to the complexity of the fabrication process. Here, we propose a CMOS-based hardware topology for single-cycle in-memory XOR/XNOR operations. Our design provides at least 2× improvement in the latency compared with other existing CMOS-compatible solutions. We verify the proposed system through circuit/system-level simulations and evaluate its robustness using a 5000-point Monte Carlo variation analysis. This all-CMOS design paves the way for practical implementation of CiM XOR/XNOR at scaled technology nodes.

97 MATHEMATICS AND COMPUTING↗

Innovative solutions to improve laser damage thresholds of optical structures

Optical structures, including thin film designs and components with topography, are provided that achieve significantly improved laser damage thresholds and/or ultra-low-loss. These advances may be achieved by utilizing a bulk window including a material having a band gap that is at least 5.0 eV and a thickness. The bulk window can be configured to increase the laser induced damage threshold of the underlying optical structure.

Nguyen, Hoang T.↗

Advanced supramolecular design for direct ink writing of soft materials

The exciting advancements in 3D-printing of soft materials are changing the landscape of materials development and fabrication. Among various 3D-printers that are designed for soft materials fabrication, the direct ink writing (DIW) system is particularly attractive for chemists and materials scientists due to the mild fabrication conditions, compatibility with a wide range of organic and inorganic materials, and the ease of multi-materials 3D-printing. Inks for DIW need to possess suitable viscoelastic properties to allow for smooth extrusion and be self-supportive after printing, but molecularly facilitating 3D printability to functional materials remains nontrivial. While supramolecular binding motifs have been increasingly used for 3D-printing, these inks are largely optimized empirically for DIW. Hence, this review aims to establish a clear connection between the molecular understanding of the supramolecularly bound motifs and their viscoelastic properties at bulk. Herein, extrudable (but not self-supportive) and 3D-printable (self-supportive) polymeric materials that utilize noncovalent interactions, including hydrogen bonding, host–guest inclusion, metal–ligand coordination, micro-crystallization, and van der Waals interaction, have been discussed in detail. In particular, the rheological distinctions between extrudable and 3D-printable inks have been discussed from a supramolecular design perspective. Examples shown in this review also highlight the exciting macroscale functions amplified from the molecular design. Challenges associated with the hierarchical control and characterization of supramolecularly designed DIW inks are also outlined. The perspective of utilizing supramolecular binding motifs in soft materials DIW printing has been discussed. Finally, this review serves to connect researchers across disciplines to develop innovative solutions that connect top-down 3D-printing and bottom-up supramolecular design to accelerate the development of 3D-print soft materials for a sustainable future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Machine Learning for Scalable and Optimal Load Shedding Under Power System Contingency

Prompt and effective corrective actions in response to unexpected contingencies are crucial for improving power system resilience and preventing cascading blackouts. The optimal load shedding (OLS) accounting for network limits has the potential to address the diverse system-wide impacts of contingency scenarios as compared to traditional local schemes. However, due to the fast cascading propagation of initial contingencies, real-time OLS solutions are challenging to attain in large systems with high computation and communication needs. In this paper, we propose a decentralized design that leverages offline training of a neural network (NN) model for individual load centers to autonomously construct the OLS solutions from locally available measurements. Our learning-for-OLS approach can greatly reduce the computation and communication needs during online emergency responses, thus preventing the cascading propagation of contingencies for enhanced power grid resilience. Numerical studies on both the IEEE 118-bus system and a synthetic Texas 2000-bus system have demonstrated the efficiency and effectiveness of our scalable OLS learning design for timely power system emergency operations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

The NAC LWT for Research Reactor Spent Fuel Shipments - 20126

The NAC Legal Weight Truck (LWT) Cask is a Type B(U)F-96 transportation package originally designed for shipment of PWR and BWR spent fuel assemblies. Its versatile design provides maximum flexibility and cost-efficiency to support shipment of a wide range of spent fuel. This cask has been used for research reactor fuel shipments in over a dozen countries and counting. It has supported multiple domestic research reactor spent fuel shipments. These contents are licensed by the U.S. NRC and have been validated for use around the world. These shipments need the capability to be loaded and unloaded in a pool, in a dry facility or in a parking lot. In this paper, the analysis, design changes and operations to meet these specific content challenges will be presented. The paper provides a technical overview of the NAC LWT and identifies the design features and technology advancements making the NAC LWT readily adaptable and flexible solution for packaging research reactor spent fuel. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Protein structural changes on a CubeSat under rocket acceleration profile

Catalyzing life-sustaining reactions, proteins are composed by 20 different amino acids that fold into a compact yet flexible three-dimensional architecture, which dictates what their function(s) might be. Determining the spatial arrangement of the atoms, the protein’s 3D structure, enables key advances in fundamental and applied research. Protein crystallization is a powerful technique to achieve this. Unlike Earth’s crystallization experiments, biomolecular crystallization in space in the absence of gravitational force is actively sought to improve crystal growth techniques. However, the effects of changing gravitational vectors on a protein solution reaching supersaturation remain largely unknown. Here, we have developed a low-cost crystallization cell within a CubeSat payload module to exploit the unique experimental conditions set aboard a sounding rocket. We designed a biaxial gimbal to house the crystallization experiments and take measurements on the protein solution in-flight with a spectrophotometry system. After flight, we used X-ray diffraction analysis to determine that flown protein has a structural rearrangement marked by loss of the protein’s water and sodium in a manner that differs from crystals grown on the ground. We finally show that our gimbal payload module design is a portable experimental setup to take laboratory research investigations into exploratory space flights.

42 ENGINEERING↗

5ω Optical Thomson Scattering Report

The 5ω Optical Thomson Scattering system on the National Ignition Facility (NIF) is a diagnostic designed to measure temporally and spatially resolved plasma conditions in Inertial Confinement Fusion (ICF) Hohlraums. The system was proposed in 2014 and a phased approach to implementation was developed. In phase one the collection system was designed, built, and fielded on the NIF to be used for 3ω Thomson scattering measurements and background measurements near 211 nm (5ω. The initial commissioning experiment for the collection system was completed in Oct. 2016. Commissioning of the collection system continued through 2017 and the system is now fielded for a range of user experiments and regularly produces publication quality data. A dedicated 5ω probe laser was designed and built to allow Thomson scattering measurements in the presence of 2 MJ of 3ω drive energy. Due to scattered light (spectral reflections, laser-plasma instabilities, and unconverted drive energy) from the 3w drive lasers typical wavelengths (2ω and 4ω) fielded at other laser facilities like the Nova Laser Facility and the Omega Laser Facility were unable to meeting the signal to background requirements in design studies. A 10 Joule 5ω probe was proposed as a solution that met requirements. This 10 Joule laser was more energetic than previously fielded 5w lasers by 2-3 orders of magnitude. As part of a risk reduction plan, phase two of the project was to develop a 1 Joule, 5ω laser to demonstrate conversion efficiency >20% from 1ω to 5ω and make initial Thomson scattering measurements in the first few nanoseconds of an ICF laser pulse. Initial tests of the 5w conversion were completed at the Laboratory for Laser Energetics (LLE) and produced record 5ω energies. Based on these results from LLE, a 1 Joule, 5w laser system was designed for the NIF in 2018 and commissioning began in 2019. Commissioning of the 5ω laser system continued through 2023 and was eventually paused in Q1 of FY24 due to completing resource constraints. Commissioning of the 5w laser system proved incredibly challenging. Multiple issues were identified during commissioning and resolved, but issues remain. Currently there is not a clear understanding of why 5ω scattered has not been detected on the OTS collection system. Based on offline measurements, calculations, and preshot measurements the system appears to meet all requirements. Potential target physics issues have been investigated and do not appear to be an issue. The current hypothesis is that there is an error in one or more aspects of the offline testing not translating to expected performance when the system is fielded on the NIF. Additional full system testing in-situ utilizing the complete OTS system and NIF target chamber center time is needed to further test potential failure modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Supervisory Control and Data Acquisition for Electrochemical Separation Experimentation

The Python-based program is a laboratory automation tool designed to control and monitor electrochemical systems. The tool was developed for capacitive deionization (CDI) experiments, but it can be used for any system that requires controlled voltage or current segments and multi-parameter monitoring. The program integrates hardware components to run user-defined experimental parameters, providing operational control of a programmable power supply, peristaltic pump, and data acquisition devices. Currently, the program is structured with a workflow that includes an initialization (or pre-run) phase, a main loop, and a post-experiment stabilization (or post-run) phase. The initialization phase prepares and stabilizes the cell, ensuring that the electrodes and solution reach a baseline state before the experiment begins. The main loop consists of multiple voltage segments that repeat, controlling the experiment while recording key parameters such as time, voltage, current, pH, and conductivity. Finally, the post-experiment stabilization phase allows the system to stabilize after the experiment, returning the cell and solution to equilibrium conditions before ending the sequence. The program is designed with four variations, each tailored to different experimental needs. All variations include both the initialization and post-experiment stabilization stages, which run for a set amount of time, voltage, current, and flow rate before and after the main experiment block. The main loop runs for a set number of cycles, as defined by the user input, and each cycle is composed of 2 or 4 segments. The 4 program variations are described as follows: Program 1: The main program includes 2 segments. Each segment is defined to have a set duration, flow rate, voltage, and current. This program measures conductivity, flow rate, voltage, and current. Program 2: The main program expands Program 1 to include 4 segments. Each segment has a specified duration, flow rate, voltage, and current. Like Program 1, it measures conductivity, flow rate, voltage, and current. Program 3: The main program consists of 2 segments, each defined by time, flow rate, voltage, and current. In addition to conductivity, flow rate, voltage, and current, Program 3 collects pH and temperature data through a 4-channel data acquisition device. Program 4: This program independently controls two channels of a multi-channel power supply simultaneously. While conductivity can only be measured for one cell at a time, the dual-channel control makes it possible to operate two cells simultaneously under different voltage/current conditions. The main program includes 2 segments.For each program, all measurements are automatically logged and integrated into a single Excel output file. Data are displayed in numerical format and plotted, both in real time, to track system performance. A key feature of the program is its ability to synchronize all outputs so that every measurement shares a single timestamp, ensuring accurate alignment of voltage, current, pH, conductivity, and pH data.By combining hardware control, real-time monitoring, and unified data collection, this program significantly reduces manual workload and minimizes errors, making it a reliable platform for researchers, engineers, and laboratory technicians conducting CDI experiments, among other electrochemical tests.

Valentino, Lauren [Argonne National Laboratory (AN↗

Sequential polymer infusion into solid substrates (SPISS): Impact of processing on sorbent CO 2 adsorption properties

Solid sorbents made of small amine molecules and polyamines infused into mesoporous substrates are promising materials for CO 2 capture technologies. To date, their preparation is mainly based on wet infusion with focus on increasing amine content by varying the structure of the amine sorbent and designing solid substrates of various pore parameters. Less explored in the field are changes in processing to afford efficient CO 2 sorbents. In this study, branched poly(ethylenimine) (bPEI, M w = 800 Da) alone and blends with linear poly(propylenimine) (LPPI, M n = 6,700 Da) are infused into solid SBA-15 substrates by a method that varies the solution processing called sequential polymer infusion into solid substrates (SPISS). The reference 40 % bPEI-SBA-15 samples are split by two methods: split batch in dry suspension (SBD) and split batch in liquid suspension (SBL). Sequentially, alcoholic 10% of bPEI (non-blends) and 10% of LPPI (blends) solutions are introduced to afford the desired products. Under dry conditions, the resulting 50% bPEI-SBA-15 SBD & SBL sorbents display high CO 2 capacities up to 3.47 mmol CO 2 /g SiO 2 for simulated flue gas (10% CO 2 ) and 2.62 mmol CO 2 /g SiO 2 for direct air capture (DAC, 400 ppm CO 2 ). Under humid DAC conditions the CO 2 performance is further enhanced with an uptake of 4.62 mmol CO 2 /gSiO 2 and amine efficiency of 0.22 mmol CO 2 /mmol N. Subjected to extended temperature swing adsorption kinetic cycling (20 cycles), the SPISS samples display stable working capacities and retain over 70% (blends) and over 90% (non-blends) of their initial 12 h adsorption performance. LPPI is demonstrated to be an effective water sorption limiting agent using dynamic vapor sorption measurements. Solid state NMR techniques reveal important insights into the dynamics of the amine polymers confined into SBA-15 pores, as impacted by processing conditions. The results suggest that the conformation of the polymers is different depending on the processing method, displaying relatively tight (SBD) and loose (SBL) packing. Finally, the simple solution processing approaches presented here show that processing variations may guide the design of solid amine sorbents with desirable properties relevant for integration into CO 2 capture technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High‐Performance Fluorinated Fused‐Ring Electron Acceptor with 3D Stacking and Exciton/Charge Transport

Abstract A new fluorinated electron acceptor (FINIC) based on 6,6,12,12‐tetrakis(3‐fluoro‐4‐hexylphenyl)‐indacenobis(dithieno[3,2‐ b ;2 ′ ,3 ′ ‐ d ]thiophene) as the electron‐donating central core and 5,6‐difluoro‐3‐(1,1‐dicyanomethylene)‐1‐indanone as the electron‐deficient end groups is rationally designed and synthesized. FINIC shows similar absorption profile in dilute solution to the nonfluorinated analogue INIC. However, compared with INIC, FINIC film shows red‐shifted absorption, down‐shifted frontier molecular orbital energy levels, enhanced crystallinity, and more ordered molecular packing. Single‐crystal structure data show that FINIC molecules pack into closer 3D “network” motif through H‐bonding and π–π interaction, while INIC molecules pack into incompact “honeycomb” motif through only π–π stacking. Theoretical calculations reveal that FINIC has stronger electronic coupling and more molecular interactions than INIC. FINIC has higher electron mobilities in both horizontal and vertical directions than INIC. Moreover, FINIC and INIC support efficient 3D exciton transport. PBD‐SF/FINIC blend has a larger driving force for exciton splitting, more efficient charge transfer and photoinduced charge generation. Finally, the organic solar cells based on PBD‐SF/FINIC blend yield power conversion efficiency of 14.0%, far exceeding that of the PBD‐SF/INIC‐based devices (5.1%).

Dai, Shuixing↗

Engineering Functionalized 2D Metal-Organic Frameworks Nanosheets with Fast Li + Conduction for Advanced Solid Li Batteries

Solid-state batteries can ensure high energy density and safety in lithium metal batteries, while polymer electrolytes are plagued by slow ion kinetics and low selective transport of Li + . Metal-organic frameworks (MOFs) are proposed as emerging fillers for solid-state poly(ethylene oxide)(PEO) electrolytes, however, developing functionalized MOFs and understanding their roles on ion transfer has proven challenging. Herein, combining computational and experimental results, the functional group regulation in MOFs can effectively change surficial charge distribution and limit anion movement is revealed, providing a potential solution to these issues. Specifically, functionalized 2D MOF sheets are designed through molecular engineering to construct high-performance composite electrolytes, where the electron-donating effect of substituents in 2D-MOFs effectively limits the movement of ClO 4 - and promotes mechanical properties and ion migration numbers (0.36 up to 0.64) of PEO. As a result, Li/Li cells with composite electrolyte exhibit superior cyclability for 1000 h at a current density of 0.2 mA cm -2 . Meanwhile, the solid LiFePO 4 /Li battery delivers highly reversible capacities of 148.8 mAh g -1 after 200 cycles. In conclusion, these findings highlight a new approach for anion confinement through the use of functional group electronic effects, leading to enhanced ionic conductivity, and a feasible direction for high-performance solid-state batteries.

25 ENERGY STORAGE↗

Semiconducting Small Molecules as Active Materials for p-Type Accumulation Mode Organic Electrochemical Transistors

A series of semiconducting small molecules with bithiophene or bis-3,4-ethylenedioxythiophene cores are designed and synthesized. The molecules display stable reversible oxidation in solution and can be reversibly oxidized in the solid state with aqueous electrolyte when functionalized with polar triethylene glycol side chains. Evidence of promising ion injection properties observed with cyclic voltammetry is complemented by strong electrochromism probed by spectroelectrochemistry. Blending these molecules with high molecular weight polyethylene oxide (PEO) is found to improve both ion injection and thin film stability. The molecules and their corresponding PEO blends are investigated as active layers in organic electrochemical transistors (OECTs). For the most promising molecule:polymer blend (P4E4:PEO), p-type accumulation mode OECTs with µA drain currents, μS peak transconductances, and a µC* figure-of-merit value of 0.81 F V -1 cm -1 s -1 are obtained.

36 MATERIALS SCIENCE↗