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At least 271 records · Page 15

Rooting MnO 2 into protonated g-C 3 N 4 by intermolecular hydrogen bonding for endurable supercapacitance

Composited electrode materials for energy storage typically benefit from the merits of each component but meanwhile largely suffer from the vulnerable structural integrity during repetitive cycling. Realizing the merely physical attachment in most composited structures being too weak to survive harsh cycling, we report here a facile one-step synthesis strategy with generation of chemical bonds, more specifically, intermolecular hydrogen bonds, to tightly combine each component. Here, we demonstrate this concept by designing a composite featuring MnO 2 nanorods chemically rooted into protonated g-C 3 N 4 , where the protonation of 2D g-C 3 N 4 substrate (pg-C 3 N 4 ), the nucleation/growth of MnO 2 and the formation of hydrogen bonding between pg-C 3 N 4 and MnO 2 simultaneously occur. The obtained composite, when applied for supercapacitive energy storage, yields maximum specific capacitances of 348.4 F·g -1 at a current density of 1.0 A·g -1 as well as a high retention of ~85.0% after 10000 cycles at 6.0 A·g -1 , surpassing most previously reported composited electrode materials based on either MnO 2 or g-C 3 N 4 . Finally, we expect this work to inspire the synthesis of composited electrode materials with consolidated 3D architecture for endurable energy storage performance.

25 ENERGY STORAGE↗

Evidence for a higher-order topological insulator in a three-dimensional material built from van der Waals stacking of bismuth-halide chains

Low-dimensional van der Waals materials have been extensively studied as a platform with which to generate quantum effects. Advancing this research, topological quantum materials with van der Waals structures are currently receiving a great deal of attention. Here, we use the concept of designing topological materials by the van der Waals stacking of quantum spin Hall insulators. Most interestingly, we find that a slight shift of inversion centre in the unit cell caused by a modification of stacking induces a transition from a trivial insulator to a higher-order topological insulator. Based on this, we present angle-resolved photoemission spectroscopy results showing that the real three-dimensional material Bi4Br4 is a higher-order topological insulator. Our demonstration that various topological states can be selected by stacking chains differently, combined with the advantages of van der Waals materials, offers a playground for engineering topologically non-trivial edge states towards future spintronics applications.

36 MATERIALS SCIENCE↗

Towards predictive control of reversible nanoparticle assembly with solid-binding proteins

Although a broad range of ligand-functionalized nanoparticles and physico-chemical triggers have been exploited to create stimuli-responsive colloidal systems, little attention has been paid to the reversible assembly of unmodified nanoparticles with non-covalently bound proteins. Previously, we reported that a derivative of green fluorescent protein engineered with oppositely located silica-binding peptides mediates the repeated assembly and disassembly of 10-nm silica nanoparticles when pH is toggled between 7.5 and 8.5. We captured the subtle interplay between interparticle electrostatic repulsion and their protein-mediated short-range attraction with a multiscale model energetically benchmarked to collective system behavior captured by scattering experiments. Here, in this work, we show that both solution conditions (pH and ionic strength) and protein engineering (sequence and position of engineered silica-binding peptides) provide pathways for reversible control over growth and fragmentation, leading to clusters ranging in size from 25 nm protein-coated particles to micrometer-size aggregate. We further find that the higher electrolyte environment associated with successive cycles of base addition eventually eliminates reversibility. Our model accurately predicts these multiple length scales phenomena. The underpinning concepts provide design principles for the dynamic control of other protein- and particle-based nanocomposites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Proof-of-concept studies with a computationally designed M pro inhibitor as a synergistic combination regimen alternative to Paxlovid

As the SARS-CoV-2 virus continues to spread and mutate, it remains important to focus not only on preventing spread through vaccination but also on treating infection with direct-acting antivirals (DAA). The approval of Paxlovid, a SARS-CoV-2 main protease (M pro ) DAA, has been significant for treatment of patients. A limitation of this DAA, however, is that the antiviral component, nirmatrelvir, is rapidly metabolized and requires inclusion of a CYP450 3A4 metabolic inhibitor, ritonavir, to boost levels of the active drug. Serious drug–drug interactions can occur with Paxlovid for patients who are also taking other medications metabolized by CYP4503A4, particularly transplant or otherwise immunocompromised patients who are most at risk for SARS-CoV-2 infection and the development of severe symptoms. Developing an alternative antiviral with improved pharmacological properties is critical for treatment of these patients. By using a computational and structure-guided approach, we were able to optimize a 100 to 250 μM screening hit to a potent nanomolar inhibitor and lead compound, Mpro61. In this study, we further evaluate Mpro61 as a lead compound, starting with examination of its mode of binding to SARS-CoV-2 M pro . In vitro pharmacological profiling established a lack of off-target effects, particularly CYP450 3A4 inhibition, as well as potential for synergy with the currently approved alternate antiviral, molnupiravir. Development and subsequent testing of a capsule formulation for oral dosing of Mpro61 in B6-K18-hACE2 mice demonstrated favorable pharmacological properties, efficacy, and synergy with molnupiravir, and complete recovery from subsequent challenge by SARS-CoV-2, establishing Mpro61 as a promising potential preclinical candidate.

60 APPLIED LIFE SCIENCES↗

Magnets are Weber Bar Gravitational Wave Detectors

When a gravitational wave (GW) passes through a dc magnetic field, it couples to the conducting wires carrying the currents which generate the magnetic field, causing them to oscillate at the GW frequency. The oscillating currents then generate an ac component through which the GW can be detected-thus forming a resonant mass detector or a nagnetic Weber bar. We quantify this claim and demonstrate that magnets can have exceptional sensitivity to GWs over a frequency range demarcated by the mechanical and electromagnetic resonant frequencies of the system; indeed, we outline why a magnetic readout strategy can be considered an optimal Weber bar design. The concept is applicable to a broad class of magnets, but can be particularly well exploited by the powerful magnets being deployed in search of axion dark matter, for example, by DMRadio and ADMX-EFR. Explicitly, we demonstrate that the MRI magnet that is being deployed for ADMX-EFR can achieve a broadband GW strain sensitivity of ∼10^{-20}/sqrt[Hz] from a few kHz to about 10 MHz, with a peak sensitivity down to ∼10^{-22}/sqrt[Hz] at a kHz exploiting a mechanical resonance.

Domcke, Valerie↗

Excitation of Bloch Surface Waves in Zero-Admittance Multilayers for High-Sensitivity Sensor Applications

The growing need for classical as well as quantum optical sensing places increasingly stringent requirements upon the desired characteristics of the engendered fields. Specifically, achieving superior field enhancement plays a critical role in applications ranging from chem-bio sensing, Raman and infrared spectroscopies to ion trapping and qubit control in emerging quantum-information science. Due to their low optical losses and ability to exhibit resonant field enhancements, all dielectric multilayers are emerging as an optical material system not only useful to classical photonics and sensing but also of potential to be integrated with quantum materials and quantum sensing. The recently introduced concept of zero-admittance layers [1] within dielectric multilayer materials, enables the creation and control of resonant fields orders of magnitude larger than the exciting field. Here, invoking the zero-admittance concept, we design, fabricate, and characterize an all-dielectric nonabsorbing stack and demonstrate the engendered huge field enhancement. Describing the fields in terms of Bloch surface waves, we connect the surface field to the semiperiodicity in the dielectric domains of the stack. As a specific application of the resonant field, we propose and demonstrate refractive-index sensing for the detection of trace amounts of an analyte. The results include a quantification of the sensitivity of the device with respect to the profile of the exciting field. The experimental results are shown to be in good agreement with theoretical calculations.

47 OTHER INSTRUMENTATION↗

A High-Current Pulsed Prototype Power Supply

The Accelerator Controls Operations Research Network (ACORN) project aims to modernize the accelerator control system and replace aging power supplies at Fermilab. As part of this effort, outdated RF ferrite bias power supplies will be redesigned. These power supplies are essential for tuning the resonant frequency of RF cavities by delivering programmable current outputs of up to 2500 A and voltages ranging from −10 V to +35 V. They operate at a repetition rate of 15 Hz in the Booster ring, and 1 Hz at the Main Injector ring. The power supplies utilize a bank of transistors in the linear region, connected in parallel with the load, to actively regulate the output current from a 12-pulse SCR bridge. To support this upgrade, a new bias power supply topology was developed as proof of concept. The design utilizes an IGBT Hbridge operating in Pulse Width Modulation (PWM) mode, controlled by a microcontroller. A prototype, constructed using spare components, successfully delivered an output current of 500 A at a repetition rate of 15 Hz during initial testing. The circuit's bandwidth was measured at 480 Hz, highlighting opportunities for further optimization in the controller design to achieve the target bandwidth of 2 kHz.

Bullman, Austin [ORNL]↗

Exploring PV Circularity by Modeling Socio-Technical Dynamics of Modules’ End-of-Life Management

The circular economy (CE) tackles environmental and resource scarcity issues by maximizing value retention in the economy. The concept implies design strategies such as reducing the use of materials or improving products’ durability and end-of-life (EOL) strategies, for example, reusing products and components and recycling materials. With an estimated 80 million tons of global cumulative EOL photovoltaic (PV) modules, applying CE principles to the PV industry could alleviate resource scarcity issues while also providing economic benefits. However, transitioning to a CE may imply changes in organizations and consumer behaviors. In this context, assessment of CE strategies may require accounting for behavioral change, a requirement that methods from complex system science such as agent-based modeling meet. Thus, this paper uses an agent-based modeling (ABM) approach to study circularity in the photovoltaics supply chain. Four types of agents are represented in the ABM: PV owners, installers, recyclers, and manufacturers. Moreover, five possible EOL options – including three CE strategies – are modeled. Departing from traditional techno-economic analysis, the model includes techno-economic factors as well as social factors to model EOL management decisions. Results show that each dollar decrease in the recycling fees improves the recycling rate by roughly 1.1%. However, excluding social factors underestimates the effect that lower recycling prices have on material circularity.

agent-based modeling↗

A Micro-Mechanical Constitutive Model to Predict Hygrothermal Aging of Cross-Linked Polymers

Abstract A multi-physics material model is presented to describe the effects of temperature, oxygen, and humidity on the constitutive response of cross-linked polymers. The effect of hygrothermal damage on the mechanical integrity of the polymer matrix can be considered as the result of damage accumulation of two independent aging mechanism namely, i) thermo-oxidative, and ii) hydrolytic aging. In order to capture the mutual effects of thermo-oxidative and hydrolytic aging, an assumption has been made that each of the aging phenomenon can be superposed to each other. In fact, each of them works independently and as a result, they can compete with each other. Utilizing the theory of network decomposition, all phenomena and their correlation were modeled and thus, the strain energy function of the polymer matrix is written with respect to four independent mechanisms, i) the shrinking original matrix that has neither been attacked by water nor oxygen, ii) conversion of the first network to two new network due to the reduction and formation of cross-links, and iii) energy loss from network degradation due to attack of the water molecules to polymer active agents. Moreover, the proposed model is micro-mechanically based and is mainly relevant on thin samples due to our underlying assumption of homogeneous diffusion of oxygen and water throughout the matrix. The model has been validated against extensive data-sets obtained from experiments we specifically designed for concept validation.

Bahrololoumi, Amir↗

High Temperature CMC Nozzles for 65% Efficiency

GE Gas Power has executed a development project that targeted cooled high-temperature ceramic matrix composite (CMC) nozzles as an innovative turbomachinery component that contributes toward the DOE’s goal for advanced gas turbines that are capable of at least 65% efficiency in combined cycle application. This technology advancement has potential to also benefit gas turbines used in coal-based IGCC applications with pre-combustion carbon capture and hydrogen as the resulting fuel. The development of this technology built upon CMC capability advancements made under earlier DOE programs. The objective for this project was to develop the application of ceramic matrix composite for nozzle application in an industrial gas turbine hot gas path. The CMC component development activity done in this project facilitates high firing temperatures through improved cooling designs and concepts, better sealing, reduced leakage, advanced manufacturing processes to facilitate high performing turbomachinery, and revolutionary component architecture to improve the gas turbine performance in a combined cycle application.

20 FOSSIL-FUELED POWER PLANTS↗

Non-Powered Dam Retrofit Exemplary Design for Hydropower Applications

Non-powered dams (NPDs) represent complex systems, situated at the intersection of natural stream environments and the built environment. The presence and operations of NPDs affect stream constituents (e.g., fish, recreational craft, sediment, water) and serve one or more engineered purposes (e.g., recreation, flood control, water supply, irrigation, tailings and debris control, navigation). By definition, NPDs do not provide hydropower generation. However, every NPD contains some untapped hydropower resource potential, represented by the pre-existing hydraulic head created by the dam and presence of flowing water. Adding power generation to an NPD requires retrofitting the NPD, which could involve the addition of any new component or function beyond that currently installed. Because this research is funded by the US Department of Energy Water Power Technologies Office, adding hydropower to NPDs is among the primary objectives for research investment. However, NPD retrofitting extends beyond the purview of hydropower additions. This report provides background information regarding NPD development in the United States, including an overview of the US NPD population, development potential, and recent development. It also summarizes challenges and opportunities facing NPD retrofit development, highlights the importance of maintaining or improving stream and dam functionality, notes key NPD characteristics, describes NPD retrofit methods, and identifies innovation areas for spurring future NPD retrofit development. Section 4 describes retrofit exemplary design principles and concepts that could apply to a wide range of NPD projects. These principles and concepts inform an NPD Retrofit Exemplary Design Specification (REDS), as included in Appendix A. The NPD REDS is heavily influenced by prior work under the standard modular hydropower technology acceleration research initiative, especially the work documented in the Exemplary Design Envelope Specification for Standard Modular Hydropower Technology (Witt et al., 2017). Whereas this prior work focuses on a particular technology class that applies most intentionally for new stream-reach development (i.e., greenfield sites), the NPD REDS contained herein applies more broadly to the NPD resource class and is technology-agnostic (i.e., the specific technologies intended to be described are not explicitly prescribed). This report serves as a part of early-phase research on NPD retrofit development, aimed toward spurring additional, follow-on efforts to specifically address development challenges, capitalize on development opportunities, and inspire innovation. As documented in the landmark “Hydropower Vision” report (DOE 2016), “transformative technical innovations able to meet the co-objectives of environmental sustainability and low-carbon energy will be critical to enabling additional hydropower growth.” This report serves as an important step in steering transformation of US non-powered dam infrastructure.

13 HYDRO ENERGY↗

Volvo Pathway to Cost-Effective Commercialized Freight Efficiency (SuperTruck 2)

Volvo’s SuperTruck 2 (ST2) built on the success of the SuperTruck 1 (ST1) project, with the objective to research, develop, and demonstrate a Class 8 long-haul tractor-trailer concept truck designed with an integrated approach to maximize freight efficiency and achieve the following goals: - Greater than 100% improvement in vehicle freight efficiency (FE) on a ton-mile-per-gallon basis, with a stretch goal of 120% improvement relative to a 2009 baseline. - Greater than or equal to 55% engine brake thermal efficiency (BTE) demonstrated in an operational engine at a 65-mph cruise point on a dynamometer. - Develop technologies that are commercially cost effective in terms of a simple payback. This cooperative agreement with the US Department of Energy (DOE) had a total project cost of $40,000,000 with a 50% cost share, or $20,000,000, paid by the DOE. This project was awarded to Volvo Technology of America, LLC, who was the prime recipient and project lead. Metalsa, Michelin, Wabash, Bergstrom, University of Michigan, Oak Ridge National Laboratory, Johnson Matthey, Knight Transportation, Wegmans, and Motivo were partners / sub-recipients in this project.

33 ADVANCED PROPULSION SYSTEMS↗

Comparative Analysis of Standard and Advanced USL Methodologies [Slides]

This presentation is on the comparative analysis of standard and advanced USL methodologies. Each method has a different way to address/account for experimental biases and uncertainties. This study showed why bias and uncertainty predictions by these popular methods differ significantly in some cases. In order to establish confidence to our validation efforts, especially with new reactor concepts, in designing new critical experiments and claiming experimental coverage for our existing applications, we need to understand capabilities of our methods further.

97 MATHEMATICS AND COMPUTING↗

Ammonia-Based Energy Storage Technology

The University of North Dakota Energy & Environmental Research Center (EERC), in partnership with the U.S. Department of Energy National Energy Technology Laboratory (NETL), Basin Electric Power Cooperative, Minnkota Power Cooperative, Otter Tail Power Company, and the North Dakota Industrial Commission (energy technology research and development sponsor), undertook a project to model, validate, and advance (from Technology Readiness Level [TRL] 2 to TRL 3) the ammonia-based energy storage technology (NH 3 -BEST) concept. The concept is designed to enable electricity-generating unit (EGU) accommodation of power demand fluctuations while steadily operating within an optimal-performance baseline power output range, ensuring maximum EGU operational efficiency and minimum degradation of materials, equipment, and performance because of load-cycling-driven stresses.

25 ENERGY STORAGE↗

Technical Information Needs and Regulatory Considerations for Front-End Transportation Activities of HALEU Fuel Feed Material

This report fulfills task order number 31310022F0033 Task 1 Assessment of technical information needs and considerations for front-end transportation activities for HALEU fuel feed material. This assessment primarily focuses on the transportation outlook and packaging requirements for transporting high-assay low-enriched uranium (HALEU) fuel feed material. The regulatory framework is described in section 3.0. In section 4.0 the specific issues associated with reviewing HALEU feed material packages are discussed. The rest of the report discusses the need for new packages and Department of Energy progress on HALEU production. Through this evaluation it is shown that the 5% enrichment barrier between low-enriched uranium and HALEU is a significant challenge to transportation packaging. However, there are licensed designs and concepts that can be used to transport HALEU feedstock. No significant issues were identified through the HALEU range up to 20% enriched.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Tool Chain for Simulations of Bi-Filar Coil Winding for Fast Quench Protection

The advancement of high-field magnets utilizing high-temperature superconductors (HTS) brings about complex challenges, especially in quench detection and protection. Traditional methods often fall short due to the inherently slow quench propagation in HTS materials. One promising approach to overcome this involves using a bifilar winding configuration, where two conductors are placed side by side. Under normal operation, they function in series, but during a quench event, they switch to an anti-parallel mode. This shift reduces the differential inductance of the coil to near zero, enabling rapid current oscillations through a capacitor discharge. The resulting high-frequency current flow leads to swift, uniform heating, triggering a full-coil quench within microseconds. Moreover, the strong mutual coupling between the two windings significantly reduces electrical noise in voltage measurements. In this work, we explore the viability of this concept by designing, constructing, and testing a REBCO bifilar racetrack coil in liquid nitrogen. We also present a validated simulation model that closely mirrors the coil's dynamic behavior under these conditions, aligning well with experimental observations.

Jayathilaka, Rehan [Northern Illinois U.]↗

Assessment of a reconfiguration of the InterSpread Plus US national FMD model as a potential tool to analyze a foot-and-mouth disease outbreak on a single large cattle feedlot in the United States

An incursion of foot-and-mouth disease (FMD) into the United States remains a concern of high importance and would have devastating socioeconomic impacts to the livestock and associated industries. This highly transmissible and infectious disease poses continual risk for introduction into the United States (US), due to the legal and illegal global movement of people, animals, and animal products. While stamping out has been shown to effectively control FMD, depopulation of large cattle feedlots (>50,000 head) presents a number of challenges for responders due to the resources required to depopulate and dispose of large numbers of animals in a timely and effective manner. However, evaluating alternative strategies for FMD control on large feedlots requires a detailed within-farm modeling approach, which can account for the unique structure of these operations. To address this, we developed a single feedlot, within-farm spread model using a novel configuration within the InterSpread Plus (ISP) framework. As proof of concept we designed six scenarios: (i) depopulation - the complete depopulation of the feedlot, (ii) burn-through – a managed “burn-through” where the virus is allowed to spread through the feedlot and only movement restriction and biosecurity are implemented, (iii) firebreak-NV – targeted depopulation of infected pens and adjacent pens without vaccination; (iv) firebreak - targeted depopulation of infected pens and adjacent pens with vaccination of remaining pens; (v) harvest-NV - selective harvest of pens where a 100% movement restriction is applied for 28-30 days, then pens are set for selection to be sent to slaughter, while allowing a controlled “burn-through” without vaccination; and (vi) harvest - selective harvest of pens with vaccination. Overall, the burn-through scenario (ii) had the shortest epidemic duration (31d (30, 33)) median (25th, 75th percentiles), while the firebreak scenario (iv) had the longest (47d (38,55)). Additionally, we found that scenarios implementing depopulation delayed the peak day of infection and reduced the total number of pens infected compared to non-depopulation scenarios.

60 APPLIED LIFE SCIENCES↗

Exploring PV Circularity by Modeling Socio-Technical Dynamics of Modules' End-of-Life Management: Preprint

The circular economy (CE) tackles environmental and resource scarcity issues by maximizing value retention in the economy. The concept implies design strategies such as reducing the use of materials or improving products’ durability and end-of-life (EOL) strategies such as reusing products and components and recycling materials. With an estimated 80 million tons of global cumulative EOL photovoltaic (PV) modules, applying CE principles to the PV industry could alleviate resource scarcity issues while also providing economic benefits. However, transitioning to a CE may imply changes in organizations and consumer behaviors. In this context, assessment of CE strategies may require accounting for behavioral change, a requirement that methods from complex system science such as agent-based modeling meet. Thus, this paper uses an agent-based modeling (ABM) approach to study circularity in the photovoltaics supply chain. Four types of agents are represented in the ABM: PV owners, installers, recyclers, and manufacturers. Moreover, five possible EOL options – including three CE strategies – are modeled. Departing from traditional techno-economic analysis, the model includes techno-economic factors as well as social factors to model EOL management decisions. Results show that each dollar decrease in the recycling fees improves the recycling rate by roughly 1.1%. However, excluding social factors underestimates the effect that lower recycling prices have on material circularity.

28 EE - Advanced Manufacturing Office (EE-5A)↗