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At least 721 records · Page 40

De Novo Design of Spiro-Type Hole-Transporting Material: Anisotropic Regulation Toward Efficient and Stable Perovskite Solar Cells

2,2',7,7'-Tetrakis(N,N-di-p-methoxyphenyl)-amine-9,9'-spirobifluorene (Spiro-OMeTAD) represents the state-of-the-art hole-transporting material (HTM) in n-i-p perovskite solar cells (PSCs). However, its susceptibility to stability issues has been a long-standing concern. In this study, we embark on a comprehensive exploration of the untapped potential within the family of spiro-type HTMs using an innovative anisotropic regulation strategy. Diverging from conventional approaches that can only modify spirobifluorene with single functional group, this approach allows us to independently tailor the two orthogonal components of the spiro-skeleton at the molecular level. The newly designed HTM, SF-MPA-MCz, features enhanced thermal stability, precise energy level alignment, superior film morphology, and optimized interfacial properties when compared to Spiro-OMeTAD, which contribute to a remarkable power conversion efficiency (PCE) of 24.53% for PSCs employing SF-MPA-MCz with substantially improved thermal stability and operational stability. Note that the optimal concentration for SF-MPA-MCz solution is only 30 mg/ml, significantly lower than Spiro-OMeTAD (>70 mg/ml), which could remarkably reduce the cost especially for large-area processing in future commercialization. This work presents a promising avenue for the versatile design of multifunctional HTMs, offering a blueprint for achieving efficient and stable PSCs.

14 SOLAR ENERGY↗

Low Power, Radiation Resilient Synchronous Edge Processing for Remote Monitoring

Next-generation space remote sensing systems may be equipped with imaging arrays that sense data at a rate that outstrips the processing capability of any computing hardware that can operate within a satellite’s power budget. This project developed novel convolutional and recurrent neural networks to detect and estimate point-like events amid clutter, and investigated their efficient and accurate implementation on analog in-memory computing systems that are 10-1000× more energy-efficient than digital processors. This project leveraged two memory devices at different levels of technological maturity: a large-scale analog computing prototype using commercial SONOS charge-trap memory, and electrochemical memory (ECRAM) with intrinsic radiation hardness. We experimentally demonstrated end-to-end analog processing of our neural networks on SONOS and characterized the radiation response of both SONOS and ECRAM. We advanced the state-of-the-art in ECRAM precision and reliability, and developed co-design methods to enable accurate long-term operation of SONOS analog accelerators in space radiation environments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Numerical and experimental investigation of the flame kernel growth in a methane/air mixture near the lean flammability limit

Lean combustion has the potential to improve the thermal efficiency of spark-ignition engines, but it faces the significant challenge of increased cycle-to-cycle variation due to low mixture reactivity and unstable flame dynamics. Computational fluid dynamics (CFD) employing predictive models can guide engine design and optimize operating strategies for lean combustion. However, ignition and combustion models have rarely been validated at fuel-lean conditions, and a fundamental understanding of the early flame kernel growth process is also lacking for a successful sub-model development. Here, the present study develops a numerical simulation framework used to investigate early flame kernel growth in methane/air mixtures. A nanosecond-pulsed discharge (NPD) approach is employed to effectively decouple the flame kernel growth from the electrical discharge due to their difference in timescales, and equivalence ratios near the experimentally measured lean flammability limit (LFL) are selected to focus on challenging mixture conditions. Three numerical investigations, such as the choice of turbulence modeling, grid size, and grid control strategies, are examined to match both LFL and flame kernel structure measured from experiments. It is demonstrated that a quasi-direct numerical simulation (QDNS) with a fixed grid embedding of 10 μm can predict the LFL as φ CFD =0.61 and match the displacement speed of the kernel’s boundary marked in schlieren images. To predict the LFL and flame kernel shape, a fine grid (Δ≤12.5 μm) is needed to capture the consumption of formaldehyde (CH 2 O) in kernel’s reaction branches attached to the anode, and adaptive mesh refinement is replaced with the fixed embedding due to loss of simulation accuracy. Also, it is found that a large-eddy simulation (LES) using the Dynamic Structure model is not suitable for the NPD-induced flame kernel simulation because artificial sub-grid turbulent kinetic energy induced by shock dynamics alters the flow velocity calculation, resulting in divergence of LES from QDNS. Lastly, the simulation well matches the experimental data for the flame kernel evolution in three mixture conditions (φ = 0.7, 0.61, 0.55), showing toroidal flame kernel expansion and flame kernel growth/extinction.

33 ADVANCED PROPULSION SYSTEMS↗

Effect of 3D-printed surface textures on wear mechanism in 3-body abrasion of soil

This study systematically investigates the enhancement of wear resistance in 3D printed surface textures through both experimental and theoretical approaches. Three distinct surface morphologies (Smooth Surface, Surface with uniformly distributed Pits, and Surface with uniformly distributed Bumps) were fabricated using High-Impact Polystyrene, where the meso-scale textures were precisely controlled through the 3D printing process. Wear behavior was evaluated using a 3-body wear tester in an abrasive particle environment, analyzing the influence of surface textures under various operating conditions. Systematic wear tests revealed that optimally designed surface textures achieved a remarkable 77 % reduction in wear compared to the worst-performing sample. The wear mechanisms were comprehensively characterized through weight loss measurements, Scanning Electron Microscopy (SEM), and Energy Dispersive Spectroscopy (EDS) analyses, elucidating the surface morphology changes and their interaction with wear particles. Notably, the study identified how the geometric characteristics of surface textures influence the movement of wear particles and the distribution of contact stresses. Discrete element method simulations corroborated the experimental findings, providing theoretical validation for the enhanced wear resistance of the optimal structure. The high correlation between simulated wear patterns and experimental results validates the reliability of the proposed design methodology. In conclusion, these results demonstrate that 3D printed surface texturing offers a cost-effective and scalable approach to significantly improve wear resistance in engineering applications, presenting a practical alternative to conventional, high-cost surface engineering methods.

3-body abrasion↗

Redox-Active Polymers Designed for the Circular Economy of Energy Storage Devices

Electrochemical energy storage is a keystone to support the rapid transition to a low-carbon-emission future for grid storage and transportation. While research on electrochemical energy storage devices has mostly dealt with performance improvements (energy density and power density), little attention has been paid to designing devices that can be recycled with low cost and low environmental impact. Thus, next-generation energy storage devices should also address the integration of recyclability into the device design. In this study, we demonstrate recyclable energy storage devices based on solution-processable redox-active conjugated polymers. The high electronic and ionic charge transport in these polymers enables the operation of single-phase electrodes in aqueous electrolytes with C-rates >100 with good electrochemical stability when the cell is charged to 1.2 V. Finally, we demonstrate the recyclability of these devices, achieving >85% capacity retention in each recycling step. Our work provides a framework for developing recyclable devices for sustainable energy storage technologies.

25 ENERGY STORAGE↗

Braiding for the win: Harnessing braiding statistics in topological states to play quantum games

Nonlocal quantum games provide proof of principle that quantum resources can confer an advantage at certain tasks. They also provide a compelling way to explore the computational utility of phases of matter on quantum hardware. In a recent paper [O. Hart et al., Phys. Rev. Lett. 134, 130602 (2025)], we demonstrated that a toric code resource state conferred advantage at a certain nonlocal game, which remained robust to small deformations of the resource state. In this paper we demonstrate that this robust advantage is a generic property of resource states drawn from topological or fracton ordered phases of quantum matter. To this end, we illustrate how several other states from paradigmatic topological and fracton ordered phases can function as resources for suitably defined nonlocal games, notably the three-dimensional toric-code phase, the X-cube fracton phase, and the double-semion phase. The key in every case is to design a nonlocal game that harnesses the characteristic braiding processes of a quantum phase as a source of contextuality. We unify the strategies that take advantage of mutual statistics by relating the operators to be measured to order and disorder parameters of an underlying generalized symmetry-breaking phase transition. Additionally, by connecting the win probability to twist products, we show that success at the game serves as a many-body entanglement witness. Namely, if the players implement a perfect quantum strategy on large length scales, the quantum state they share cannot be connected to a trivial product state via a constant-depth local unitary circuit. Lastly, we massively generalize the family of games that admit perfect strategies when codewords of homological quantum error-correcting codes are used as resources.

Fractons↗

A Prediction Method for Catchment Efficiency Loss due to Coaxial Nozzle Wear in Powder Fed Directed Energy Deposition Systems

Abstract Powder fed laser directed energy deposition systems show significant promise and their widespread adoption could greatly advance manufacturing technology; however, a significant amount of gas atomized metal powder is wasted during material deposition. As contaminated powder must be collected and disposed of as hazardous waste, this process is often criticized for its low catchment efficiency. This presents potential implementation and scaling issues, as widespread use of this technology would directly increase the amount of contaminated powder in need of safe disposal. A direct contribution to this waste issue was identified in past work as wearing exterior and interior surfaces on a replaceable nozzle component within the additive head of such a system integrated into a hybrid manufacturing machine tool. A computational fluid dynamics simulation is developed specifically for use within the manufacturing process by predicting catchment efficiency losses before a deposition operation is performed. The model is robust enough to calculate a catchment efficiency estimate within a reasonable transition time before deposition and is designed to replace visual estimation of nozzle deterioration by the machine operator. Both of two previously identified wear modes are represented in the simulation. Their effects on powder stream geometry are discussed in detail and the results are compared with in-situ measurements of powder stream geometry and concentrations. The resulting work contributes to the growing understanding of using prediction and prevention methods on catchment efficiency related part defects within these systems.

DeWitte, Lisa↗

Creating an Inter-Tribal Technical Assistance Network in the Northwest Arctic

The US Department of Energy-Office of Indian Energy's (DOE-IE) support for NANA's establishment of an Inter-Tribal Assistance Network in the Northwest Arctic was a ground-breaking effort that led to many individual community successes and a regional escalation of clean energy for our tribes. Before this grant award was initiated, high penetration renewable-diesel hybrid systems were primarily aspirational. Now, after five years of intensive technical assistance and multi-institution collaboration and funding, the NANA Region has three high penetration solar-wind-battery-diesel hybrid systems and one solar-battery-diesel hybrid system fully operational with diesel-off operation occurring regularly; another solar-battery-diesel hybrid system fully funded with an RFP for construction targeted for 2023; a current grant application that was awarded to begin the final design process for solar-battery-diesel hybrid systems for four other villages in the region; and initial funding to begin a high penetration wind-battery-diesel system for the remaining village in the region. Clearly, our goal to demonstrate and replicate high penetration renewable hybrid technology has been accomplished and is increasing in scale and pace.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Final Technical Report: Innovative Magnetron Power Sources for Superconducting RF (SRF) Accelerators

In this project, MUONS is designing and building custom magnetrons at Richardson Electronics (RELL) to test the predictions of the models and make improvements to the designs to match the needs of NP SRF accelerators and their life-cycle costs. To increase lifetime, the filament temperature is controlled by a feedback circuit that includes a model of back streaming of electrons. The gain of the magnetron is optimized by the design of an input port. A permanent magnet design with trim coil for amplitude adjustment reduces energy consumption. Moving the construction of the magnetron from prototype to manufacturing includes the utilization of RELL processes and designs. To the extent that outgassing of materials influences the lifetime of the magnetron, methods for minimizing outgassing was explored. Further experimentation of the potential of sub-critical voltage operation continues to be explored. The commercialization goal of the project will be naturally achieved as RELL already has world-wide marketing, sales, and support to exploit the assembly-line capabilities generated by this project to enable magnetron technologies for NP accelerators.

43 PARTICLE ACCELERATORS↗

SpinQuest Polarized Target System

The SpinQuest experiment at Fermilab uses a solid-state polarized ammonia target held at a magnetic field of 5 T, immersed in liquid helium-4, which is held at approximately 1K by the evaporation refrigerator. The refrigerator provides the required cooling power during the dynamic nuclear polarization (DNP) process and the high intensity interaction with the 120 GeV proton beam from the Fermilab main injector. The refrigerator was designed in compliance with the American Society of Mechanical Engineers (ASME) to operate safely at Fermilab. The high pumping capacity ($17,000 \:m^3/h$) roots stack provides the required pumping speed during DNP production data taking and a custom-made radiation hard flow control valve regulates the refrigerator temperature during the thermal equilibrium calibration measurements. The frequency of the microwave generator, an Extended Interaction Oscillator (EIO), is automated to keep the maximum polarization while the (Nuclear Magnetic Resonance) NMR system continuously measures the polarization of the target material. In this talk, an overview of the SpinQuest polarized target system will be presented as well as a brief report of recent commissioning activities and target performance during the early production runs in 2024.

Bandara, Vibodha [Colombo U.]↗

Safeguards Material Control And Accountancy Considerations For Molten Salt Reactors

Molten salt reactors are a class of nuclear reactor designs with features and operational characteristics that vary significantly. Variations in design features include the physical, chemical, and isotopic composition of fresh and irradiated fuel, neutron energy spectrums, breeding ratios, and the design’s plans for chemical processing. Specific designs within these variations affect the material control and accountancy approaches implemented by both domestic and international nuclear safeguards. This paper identifies safeguards-relevant design features for molten salt reactors and describes how each feature might influence both domestic and international nuclear safeguards implementation. Additionally, this paper describes two potential general categories of material control and accountancy approaches that may be appropriate for molten salt reactors: a black box material-balance approach with measurements on the feed and waste streams combined with robust containment and surveillance on the nuclear material within the reactor or an approach that aims to quantify the nuclear material throughout the reactor (i.e., a process monitoring approach). This paper describes the benefits and challenges of these approaches to meet technical safeguards objectives and identifies gaps in current technologies.

Hogue, Karen↗

Impact of FERC Order 2222 on DER Participation Rules in US Electricity Markets

Electricity markets in the bulk grid are beginning to implement market mechanisms that support the procurement of flexible capabilities from wide range of technologies, including distributed energy resources (DERs). The flexibility of these resources will help counterbalance supply uncertainties from large-scale integration of variable renewable generation. To encourage development of distributed and aggregated market participants, FERC Order 2222 was issued in September 2020 to require each Independent System Operator (ISO) in the US to implement rules that enable broader participation from aggregations of DERs in the bulk market. The following paper first describes the generic design of ISO markets before introducing the new market participation rules that ISOs have proposed for compliance with Order 2222. The paper then describes how software performance issues may continue to affect the eligibility requirements and offer structures for DER aggregations participating in ISOs, noting that continued research on computational methods may help reduce burdens for DER integration. The prospects for transmission and distribution system coordination is second major issue discussed, which will require minor changes to existing processes in the short term. In the longer term, there is more opportunity for more wide-ranging reforms, such as the development of a Distribution System Operator (DSO) framework. Newly proposed market rules may affect how Transactive Energy Systems (TES) will help facilitate efficient formation of DER aggregations and operation of the individual DERs within an aggregation. Within the TES context, the challenge is to fully understand how resource eligibility and operational and planning coordination methods will affect the design and implementation of TES.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Carbonate Management to Enable Energy- and Carbon-Efficient CO 2 Electrolysis (Final Technical Report)

The rapid growth and plummeting cost of solar energy have spurred growing interest in using CO 2 electrolysis to produce chemicals and fuels as an alternative to conventional petrochemical processes. High-temperature (>800 °C) solid oxide electrolyzers that convert CO 2 into CO and O 2 have recently become commercially available. Low-temperature electrolysis cells offer the prospect of more convenient and flexible operation, which is critical for utilizing intermittent solar energy, and provide access to more valuable C 2+ products such as ethylene, ethanol, and propanol. Over the past 10 years, research in this area has yielded substantial progress in both fundamental understanding of the requisite electrocatalytic reactions and design of prototype devices. Leveraging insights from fuel cells and membrane water electrolyzers, researchers have developed electrolysis cells with gas diffusion electrodes (GDE) that have demonstrated high CO 2 electrolysis current densities (>100 mA cm –2 ) as well as promising selectivity and stability. Despite these advances, the energy efficiency (electrical energy-to-product) and carbon efficiency (CO 2 -to-product) of low-temperature CO 2 electrolysis remain far too low for large-scale deployment. A preponderance of evidence indicates that the principal source of efficiency losses is the rapid and thermodynamically favorable reaction of CO 2 with hydroxide (OH – ) to form carbonate (CO 3 2– ). Carbonate formation imposes steady-state electrolysis conditions that result in large voltage and CO 2 losses for all known (photo)electrochemical CO 2 cells. While much current research remains focused on CO 2 reduction catalyst design, this largely overlooked CO 3 2– problem presents a fundamental scientific barrier to creating a viable electrochemical option for converting solar energy into chemicals and fuels. The project pursues an integrated, multi-PI research effort that establishes a fundamental science of CO 3 2– management. PI Kanan and Co-PI Mani’s contribution to the project is to evaluate strategies to mitigate the CO 3 2– problem by changing the properties of the electrolyte and the environment in which CO 2 reduction catalysis takes place. Experimental studies showed that electrolytes composed of a high concentration of both CO 3 2– and HCO 3 – , which serve as moderately alkaline buffers, improved the cell voltage by compared to all-HCO 3 – electrolytes, but these buffered systems still show substantial CO 2 uptake that reduces pH over time. Computational studies developed a homogenized model of a CO 2 reduction catalyst layer that permits a low-cost exploration of the high-dimensional parameter space associated with catalyst layers on gas diffusion electrodes. The model was validated by accurately reproducing experimental data for the related but simpler reaction of CO reduction and then used to probe the effects of catalyst layer architecture on CO 2 reduction. Minimizing the size of catalyst and hydrophobic domains in the catalyst layer is predicted to mitigate CO 3 2– formation and thereby enable prolonged operation at elevated pH. In support of the CO 2 electrolysis studies, a new method for rapidly prototyping electrochemical cells was developed and validated. The method uses a combination of 3D printing and electroless plating to generate conductive cell components for evaluating new cell designs. The carbonate problem encompasses mass transport processes and acid-base reactions that are relevant to many other electrochemical systems. Investigation of strategies to address the carbonate problem led to an additional line of inquiry into the physicochemical phenomena that determine the efficiency of electrochemical acid-base production, which has numerous applications in the broader field of carbon management. New strategies for using the supporting electrolyte to inhibit H + /OH – recombination in electrochemical acid-base production were evaluated, leading to the development of a novel acid-base producing system that eliminates the need for ion exchange membranes and exhibits promising efficiency and current densities for scalable applications.

25 ENERGY STORAGE↗

PIP-II Linac Cryogenic Distribution System Design Challenges

The PIP-II linac Cryogenic Distribution System (CDS) is characterized by extremely small heat inflows and robust mechanical design. It consists of a Distribution Valve Box (DVB), Intermediate Transfer Line, Tunnel Transfer Line, comprising 25 Bayonet Cans, and ends with a Turnaround Can. Multiple helium streams, each characterized by distinct helium parameters, flow through each of these elements. The CDS geometry allows maintaining an acceptable pressure drop for each helium stream, considering the planned flows and helium parameters in different operation modes. This is particularly crucial for the return line of helium vapors, which return from cryomodules to the cold compressors and thus have very restrictive pressure drop requirements. On both sides of the DVB there are fixed supports for process pipes. One of the DVB design challenges was to route the process pipes in such a way that their shape provided sufficient compensation for thermal shrinkage. This ensures th at the forces resulting from thermal shrinkage acting on the cryogenic valves remain at a level acceptable to the manufacturer. The required thermal budget of the CDS was achieved by thermo-mechanical optimization of its components, like process pipes fixed supports in Bayonet Cans.

43 PARTICLE ACCELERATORS↗

Development of a framework for sequential Bayesian design of experiments: Application to a pilot-scale solvent-based CO 2 capture process

In this paper, a methodology is developed for sequential design of experiments (SDoE) for process systems and applied to a solvent-based CO 2 capture system. In this approach, the prior knowledge of the system is used to prioritize process data collection at specific operating conditions. These data are then incorporated into a Bayesian inference methodology for updating a stochastic model by refining estimations of its underlying parameters, and the updated model is then used to generate the next set of test runs. Thus, the new knowledge obtained from the data is used to guide subsequent iterations of the experimental runs, ensuring that the overall data collection is maximally informative given that most experimental campaigns, especially at pilot or higher-scale plants, are costly, time-consuming, and resource-limited. The test run objective for this work was to minimize the maximum model prediction uncertainty for key output variables, but the methodology is generic and can be readily applied to other test run objectives. This methodology is applied to an aqueous monoethanolamine (MEA) pilot plant campaign at the National Carbon Capture Center (NCCC) in Wilsonville, Alabama, USA. The SDoE framework was utilized for two iterations, while collecting 18 sets of data representing different process conditions, and this resulted in an overall average reduction in uncertainty of approximately 50% in the prediction of CO 2 capture percentage. Moreover, 11 additional data sets were obtained with variation of absorber packing height for further model validation. This work shows the capability of the SDoE framework to maximize learning given limited resources, allowing for the reduction of model uncertainty, which is of great importance for many applications including reduction of technical risk associated with scale-up and economic analysis.

20 FOSSIL-FUELED POWER PLANTS↗

Host Design for Carbon Capture and Regeneration in Porous Liquids

The demand for efficient gas capture technologies drives the exploration of porous liquids (PLs) as alternatives to traditional amine mixtures, which incur high operational costs due to energy-intensive regeneration processes. This research investigates the use of porous organic cages (POCs) within PLs to enhance gas capture and separation capabilities. We demonstrate that the flexibility of POCs under isostatic pressure facilitates the expulsion of captured gas molecules, enabling low-energy regeneration and the creation of an isostatic pressure testing capability for PLs. Additionally, a new CC3-OH POC derivative with scrambled hydroxides exhibits a twofold increase in CO 2 adsorption capacity, attributed to enhanced interactions between hydroxide linkers and CO 2 . Furthermore, we explore the stability of azobenzene-containing organic cages formed via imine and amine bonds, revealing that the flexible amine bond allows for more efficient E-Z isomerization. Our findings highlight the transformative potential of PLs and azobenzene-derived systems in gas separation technologies, paving the way for innovative low-energy regeneration pathways.

36 MATERIALS SCIENCE↗

Operando X-Ray Diffraction During High Temperature Electrolysis

This work presents the design, development, and deployment of an operando X-ray diffraction (XRD) system for high-temperature electrolysis (HTE), enabling real-time characterization of solid oxide electrolysis cells (SOECs) under true operational conditions. The integration of an HTE test stand within a synchrotron radiation environment, mimicking the conditions of a laboratory setup, aims to enhance our understanding of the degradation processes affecting the performance and longevity of SOECs. Utilizing a custom furnace and a high precision motor stack assembly at the Stanford Synchrotron Radiation Lightsource (SSRL), the system revealed unparalleled insights into the structural evolution of SOEC components through various operational stages, including initial heat ramp, cell reduction, fuel ramp, and wet electrolysis. Initial results demonstrate the significant impact of the initial heating and cooling on secondary phase formation within the SOEC, highlighting the utility of operando XRD for developing more efficient and durable hydrogen production technologies.

08 HYDROGEN↗

Process design tools and techno-economic analysis for capacitive deionization

Capacitive deionization (CDI) devices use cyclical electrosorption on porous electrode surfaces to achieve water desalination. Process modeling and design of CDI systems requires accurate treatment of the coupling among input electrical forcing, input flow rates, and system responses including salt removal dynamics, water recovery, energy storage, and dissipation. Techno-economic analyses of CDI further require a method to calculate and compare between a produced commodity (e.g. desalted water) versus capital and operational costs of the system. In this work, we demonstrate a new modeling and analysis tool for CDI developed as an installable Matlab program that allows direct numerical simulation of CDI dynamics and calculation of key performance and cost parameters. The program is provided for free and is used to run open-source Simulink models. The Simulink environment sends information to the program and allows for a drag and drop design space where users can connect CDI cells to relevant periphery blocks such as grid energy, battery, solar panel, waste disposal, and maintenance/labor cost streams. The program allows for simulation of arbitrary current forcing and arbitrary flow rate forcing of one or more CDI cells. We employ validated well-mixed reactor formulations together with a non-linear circuit model formulation that can accommodate a variety of electric double layer sub-models (e.g. for charge efficiency). The program includes a graphical user interface (GUI) to specify CDI plant parameters, specify operating conditions, run individual tests or parameter batch-mode simulations, and plot relevant results. The techno-economic models convert among dimensional streams of species (e.g. feed, desalted water, and brine), energy, and cost and enable a variety of economic estimates including levelized water costs.

42 ENGINEERING↗