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At least 1,387 records · Page 77

Ionic Liquid Functionalizes the Metal Organic Framework for Microwave-Assisted Direct Air Capture of CO 2

Sorbents for direct air capture (DAC) of CO 2 typically employ a chemisorbing material that requires regeneration at elevated temperatures, which is an energy-intensive step. Here, we developed composites of metal organic framework (MOF) with a functional ionic liquid (IL) at 5, 20, and 35 wt % loading, capable of CO 2 chemisorption and regeneration by moisture-swing coupled microwave (MW) irradiation. In dynamic breakthrough measurements, CO 2 from synthetic air (500 ppm of CO 2 ) was selectively absorbed (0.5 mmol/g at 30 °C) and then rapidly released (2–4 min) by dielectric heating at 60 °C. The developed IL/MOF composites demonstrate (1) targeted energy transfer to the IL domains where CO 2 is released due to dielectric heating upon MW irradiation and (2) a fast desorption rate due to large surface area offered by the MOF architecture. Furthermore, this study establishes carbon capture through surface enhancement of a porous substrate with ILs for future DAC processes that can be powered by sustainable energy sources.

36 MATERIALS SCIENCE↗

A universal all-solid synthesis for high throughput production of halide perovskite

Abstract Halide perovskites show ubiquitous presences in growing fields at both fundamental and applied levels. Discovery, investigation, and application of innovative perovskites are heavily dependent on the synthetic methodology in terms of time-/yield-/effort-/energy- efficiency. Conventional wet chemistry method provides the easiness for growing thin film samples, but represents as an inefficient way for bulk crystal synthesis. To overcome these, here we report a universal solid state-based route for synthesizing high-quality perovskites, by means of simultaneously applying both electric and mechanical stress fields during the synthesis, i.e., the electrical and mechanical field-assisted sintering technique. We employ various perovskite compositions and arbitrary geometric designs for demonstration in this report, and establish such synthetic route with uniqueness of ultrahigh yield, fast processing and solvent-free nature, along with bulk products of exceptional quality approaching to single crystals. We exemplify the applications of the as-synthesized perovskites in photodetection and thermoelectric as well as other potentials to open extra chapters for future technical development.

36 MATERIALS SCIENCE↗

Knowledge-guided machine learning can improve carbon cycle quantification in agroecosystems

Abstract Accurate and cost-effective quantification of the carbon cycle for agroecosystems at decision-relevant scales is critical to mitigating climate change and ensuring sustainable food production. However, conventional process-based or data-driven modeling approaches alone have large prediction uncertainties due to the complex biogeochemical processes to model and the lack of observations to constrain many key state and flux variables. Here we propose a Knowledge-Guided Machine Learning (KGML) framework that addresses the above challenges by integrating knowledge embedded in a process-based model, high-resolution remote sensing observations, and machine learning (ML) techniques. Using the U.S. Corn Belt as a testbed, we demonstrate that KGML can outperform conventional process-based and black-box ML models in quantifying carbon cycle dynamics. Our high-resolution approach quantitatively reveals 86% more spatial detail of soil organic carbon changes than conventional coarse-resolution approaches. Moreover, we outline a protocol for improving KGML via various paths, which can be generalized to develop hybrid models to better predict complex earth system dynamics.

54 ENVIRONMENTAL SCIENCES↗

Characterizing the multisectoral impacts of future global hydrologic variability

There is significant uncertainty in how global water supply will evolve in the future, due to uncertain climate, socioeconomic, and land use change drivers and variability of hydrologic processes. It is critical to characterize the potential impacts of uncertainty in future water supply given its importance for food and energy production. In this work, we introduce a framework that integrates stochastic hydrology and human-environmental systems to characterize uncertainty in future water supply and its multisector impacts. We develop a global stochastic watershed model and demonstrate that this model can generate a large ensemble of realizations of basin-scale runoff with global coverage that preserves the mean, variance, and spatial correlation of a historical benchmark. We couple this model with a well-known human-environmental systems model to explore the impacts of runoff variability on the water and agricultural sectors across spatial scales. We find that the impacts of future hydrologic variability vary across sectors and regions. Impacts are felt most strongly in the water and agricultural sectors for basins that are expected to have unsustainable water use in the future, such as the Indus River basin. For this basin, we find that the variability in future irrigation water withdrawals and irrigated cropland increase over time due to uncertainty in renewable water supply. We also use the Indus basin to show how our stochastic ensemble can be leveraged to explore the global multisector consequences of local extreme runoff conditions. This work introduces a novel technique to explore the propagation of future hydrologic variability across human and natural systems and spatial scales.

54 ENVIRONMENTAL SCIENCES↗

Reliability Analysis of Power Grids Considering Component Failures of Variable Energy Resources

This paper proposes an improved model for the reliability assessment of power systems considering component failures of variable energy resources (VER). The inherent intermittency of VER such as solar photovoltaic (PV) and wind farms, along with their susceptibility to component failures, present significant challenges to reliable system operation. These issues, combined with power grid operation and network constraints, complicate the reliable operation of VER-integrated power systems. Here, to address these concerns, this paper introduces a reliability assessment framework that considers VER input variability, its impact on component availability, and their resulting impact on overall system reliability. Stochastic models based on discrete Markov processes are developed to incorporate variable irradiance, wind speeds, and their effects on PV and wind component failure rates. A next-event and state transition-based approach is then developed to integrate the stochastic models into a mixed-timing sequential Monte Carlo simulation framework for composite reliability assessment. Case studies on the RTS-GMLC system demonstrate the effectiveness of the proposed model in evaluating the reliability of VER-integrated systems.

Pandit, Dilip [Sandia National Laboratories (SNL-N↗

Application of Peracetic Acid in Poultry Processing: Effects of Treatment Dynamics and Emerging Risk of Resistance Development in Salmonella spp.

Nontyphoidal Salmonella is a leading cause of foodborne illness, with poultry representing a major source. Peracetic acid (PAA), a widely adopted antimicrobial in poultry processing, offers advantages over traditional disinfectants but has sparked interest in its combined use with other antimicrobials and potential resistance. This review evaluates the efficacy of PAA in mitigating Salmonella in combination with other food-grade antimicrobials, explores possible synergism, efficacy under varying treatment parameters, resistance development against PAA, and its role in resistance evolution. While PAA demonstrates broad-spectrum efficacy, its performance varies with environmental parameters; higher temperatures generally enhance antimicrobial action but also accelerate PAA degradation. Organic matter diminishes PAA efficacy by reactive quenching. Variability in concentration and contact time further influences outcomes. Despite its oxidative mode of action and presumed low risk for resistance, emerging studies indicate that Salmonella can develop adaptive tolerance and potential cross/coresistance following repeated or sublethal exposure to PAA. These adaptations may involve genetic upregulation of oxidative stress response pathways, efflux systems, and modifications in cell membrane integrity, raising concerns about the long-term sustainability of PAA use. Additionally, combinatorial treatments (e.g., PAA with UV-C, enzymes, or organic acids) show promise in enhancing efficacy while mitigating resistance risks. Despite recognition of PAA's safety and effectiveness, knowledge gaps remain regarding standardized resistance definitions, serotype-specific tolerance, and optimal intervention strategies in commercial settings. Therefore, there is a need for standardized testing protocols, robust studies on potential resistance, and further exploration of synergistic PAA applications to ensure sustained poultry product safety and public health protection.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗

Structural analysis of molten materials by a remote fiber optic Raman sensor

This study presents a novel in situ high-temperature fiber optic Raman probe that enables the study of the physical properties and structure of molten samples at temperatures up to 1400 °C. To demonstrate the functionality of the high-temperature fiber optic Raman probe, different composition mold fluxes were evaluated in this report. The Raman spectra at flux molten temperature were successfully collected and analyzed. A deconvolution algorithm was employed to identify peaks in the spectra associated with the molecular structure of the components in each sample. Here, the experimental results demonstrate that the composition-dependent Raman signal shift can be detected at high temperatures, indicating that molten materials analysis using a high-temperature Raman system shows significant promise. This flexible and reliable high-temperature Raman measurement method has great potential for various applications, such as materials development, composition and structure monitoring during high-temperature processing, chemical identification, and process monitoring in industrial production.

47 OTHER INSTRUMENTATION↗

Highly efficient ultra-low blaze angle multilayer grating

We have developed an advanced process for blaze angle reduction of x-ray gratings for the soft, tender, and EUV spectral ranges. The process is based on planarization of an anisotropically etched Si blazed grating followed by a chemically selective plasma etch. This provides a way to adjust the blaze angle to any lower value with high accuracy. Here we demonstrate the reduction of the blaze angle to an extremely low value of 0.04°±0.004°. For a 100 lines/mm grating with a Mo/Si multilayer coating, the grating exhibits diffraction efficiency of 58% in the 1 st diffraction order at a wavelength of 13.3 nm. This technique will be applicable to a wide range of uses of high efficiency gratings for synchrotron sources, as well as for Free Electron Lasers (FEL).

42 ENGINEERING↗

Carbon Fiber Plasma Surface Treatment (CRADA Final Report)

This project focused on developing and applying a new surface treatment technology to carbon fiber applications. During the course of this work, two different treatment prototypes were developed and explored. Highly reactive surface chemistries were successfully applied to carbon fiber, resulting in surface oxygen content as high as 27%. Enhanced composite properties of a 45% increase in the interfacial strength and a 10% increase in tensile and flexural strength were demonstrated for thermoplastic resins. This enhancement was performed while proving that the plasma surface treatment process does not damage the fiber. Treatment times were as low as 1 min.

36 MATERIALS SCIENCE↗

SAS4A/SASSYS-1 Validation with EBR-II Tests Performed During the SHRT Testing Program (Rev. 2)

The EBR-II sodium-cooled fast reactor supported a wide range of fast reactor research activities. The final fifteen years of operations at EBR-II were used for experiments and tests to demonstrate the importance of passive safety in liquid metal reactors and the capability of such systems to provide strong passive responses during off-normal conditions. The Shutdown Heat Removal Test program at EBR-II provided test data supporting the validation of computer codes for design, licensing, and operation of LMRs, among other objectives. The program included nearly sixty tests, most of which were protected and unprotected loss of flow and loss of heat sink tests run at various initial powers and flow rates. This report documents the results of modeling and simulation of tests from the Shutdown Heat Removal Test program to support validation of Argonne’s SAS4A/SASSYS-1 fast reactor safety analysis code. SHRT-17 and SHRT-6 were protected loss of flow tests where a loss of electrical power to all sodium coolant pumps was simulated to demonstrate the effectiveness of natural circulation cooling characteristics. SHRT-45R, SHRT-39, and SHRT-43R were unprotected loss of flow tests where the control rod scram function of the plant protection system was disabled to demonstrate the effectiveness of EBR-II’s passive reactivity feedbacks. BOP-301 and BOP-302R were unprotected loss of heat sink tests that demonstrated how reactivity feedback effects driven by changes to the core inlet temperature can shut down the fission process. PICT-5/6 demonstrated how core power could be increased and decreased via changes in the intermediate sodium and feedwater flow rates. This validation activity leverages modeling and simulation efforts that originated under an International Atomic Energy Agency Coordinated Research Project for benchmark analysis of the EBR-II Shutdown Heat Removal Tests. The SAS4A/SASSYS-1 models originally developed for the CRP have been modernized to utilize new code features and modeling practices. Differences between the predicted and measured test data were explored and the causes of these differences were identified as being due to modeling approximations, uncertainty in transient component behavior, and instrumentation uncertainties. Overall, it was concluded that for all tests simulated there was good agreement between the flow, power, and temperature predictions and the measured data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Arbitrary Low-Dimensional Film Transfer Enabled by GeO 2 Release Layer

Low-dimensional materials show great promise for enhanced computing and sensing performance in mission-relevant environments. However, integrating low-dimensional materials into conventional electronics remains a challenge. Here, we demonstrate a novel transfer method by which low-dimensional materials and their heterostructures can be transferred onto any arbitrary substrate. Our method relies on a water soluble GeO 2 substrate from which lowdimensional materials are transferred without significant perturbation. We apply the method to transfer a working electronic device based on a low-dimensional material. Process developments are achieved to enable the fabrication and transfer of a working electronic device, including the growth of high-k dielectric on GeO 2 by atomic layer deposition and inserting an indium diffusion barrier into the device gate stack. This work supports Sandia’s heterogeneous integration strategy to broaden the implementation of low-dimensional films and their devices.

36 MATERIALS SCIENCE↗

Multi-Functional Smart Structures for Smart Vehicles

This report summarizes the development of a new class of recyclable multi-functional composite materials for production of lightweight smart structures and surfaces. Functional high stiffness conductive composites were processed using molding methods that integrated continuous fiber and additively manufactured features. Methods for integration of sensing functionality and controls were also developed to reduce system cost while providing a new capability for structural health monitoring. This new class of composites is applicable to a broad range of vehicle interior, exterior and battery enclosure systems. By way of demonstration, a vehicle instrument panel cross car beam was developed that provided a 38% mass savings compared to steel while maintaining a cost penalty competitive to alternate lightweight material solutions. These technologies were validated for implementation by a uniquely qualified project team comprising a US automotive OEM, Tier 1 and Tier 2 supplier, with key contributions from Oak Ridge National Lab, Purdue University and Michigan State University.

33 ADVANCED PROPULSION SYSTEMS↗

American-Made Solar Prize: Edgeli Enables DER Integration (CRADA 615) (Final Report)

The purpose of this project was to demonstrate how granular time series data and automated data transformation, and impact assessment tools could speed interconnection approvals for distributed energy resource projects of various types and sizes. Types included community solar, rooftop solar, and EV charging projects. Using software routines to automate the transformation of data (e.g. GIS) to a network database and power flow model then applying scenarios to create hourly (8760) hosting capacity values and voltage and thermal impacts for specific projects, we were able to demonstrate the feasibility of quickly assembling and analyzing key utility data sets for interconnection purposes. The outcomes of this effort will become the foundation for future work that will enhance and encapsulate the software components developed as part of this project, into web services (e.g. APIs) that can be integrated into queue management systems and automate interconnection screening processes.

14 SOLAR ENERGY↗

Remote Americium Detection Using an Optical Sensor: A D-Optimal Strategy for Efficient PLS-Based Modeling

A fiber-optic visible–near-infrared absorption spectroscopy system in a glove box was demonstrated for remote quantification of Am(III) (0–500 µM) and HNO 3 (0.1–9 M) using partial least squares regression (PLSR) models. The sensor platform, featuring a simple plug-and-play spectrophotometer, can enable noninvasive, real-time monitoring of actinide process solutions. To establish a flexible PLSR model calibration strategy, a D-optimal design developed using Nd(III) in previous studies was successfully extended to an actinide system with Am(III) to effectively minimize sample set size while maintaining robust prediction performance. The results suggest strong spectral similarities between Nd(III) and Am(III) and validate Nd(III) as an effective optical surrogate for trivalent actinide species. This work also supports the generalizability of a D-optimal training set selection approach for two-factor systems. The PLS1 models for Am(III) and HNO 3 outperformed a PLS2 model and maintained reasonable performance in the presence of interfering U(VI). The resulting sensor system and multivariate approach provides a flexible and scalable solution for process monitoring, control, and safety in diverse nuclear applications.

actinide↗

Classical Swine Fever Virus Structural Glycoprotein E2 Interacts with Host Protein ACADM during the Virus Infectious Cycle

The E2 glycoprotein is one of the four structural proteins of the classical swine fever virus (CSFV) particle. E2 has been shown to be involved in many virus functions, including adsorption to host cells, virus virulence and interaction with several host proteins. Using a yeast two-hybrid screen, we have previously shown that the CSFV E2 specifically interacts with swine host protein medium-chain-specific acyl-Coenzyme A dehydrogenase (ACADM), an enzyme that catalyzes the initial step of the mitochondrial fatty acid beta-oxidation pathway. Here, we show that interaction between ACADM and E2 also happens in swine cells infected with CSFV using two different procedures: coimmunoprecipitation and a proximity ligation assay (PLA). In addition, the amino acid residues in E2 critically mediating the interaction with ACADM, M49 and P130 were identified via a reverse yeast two-hybrid screen using an expression library composed of randomly mutated versions of E2. A recombinant CSFV, E2ΔACADMv, harboring substitutions at residues M49I and P130Q in E2, was developed via reverse genomics from the highly virulent Brescia isolate. E2ΔACADMv was shown to have the same kinetics growth in swine primary macrophages and SK6 cell cultures as the parental Brescia strain. Similarly, E2ΔACADMv demonstrated a similar level of virulence when inoculated to domestic pigs as the parental Brescia. Animals intranasally inoculated with 10 5 TCID 50 developed a lethal form of clinical disease with virological and hematological kinetics changes undistinguishable from those produced by the parental strain. Therefore, interaction between CSFV E2 and host ACADM is not critically involved in the processes of virus replication and disease production.

60 APPLIED LIFE SCIENCES↗

The Interaction between the DOCK7 Protein and the E2 Protein of Classical Swine Fever Virus Is Not Involved with Viral Replication or Pathogenicity

The classical swine fever virus (CSFV) particle consists of three glycoproteins, all of which have been shown to be important proteins involved in many virus functions, including interaction with several host proteins. One of these proteins, E2, has been shown to be directly involved with adsorption to the host cell and important for virus virulence. Using the yeast two-hybrid system, we have previously shown that CSFV E2 specifically interacts with the (DOCK7) dedicator of cytokinesis, a scaffolding protein. In this report, the interaction between E2 and DOCK7 was evaluated. To confirm the yeast two-hybrid results and to determine that DOCK7 interacts in swine cells with E2, we performed co-immunoprecipitation and proximity ligation assay (PLA). After demonstrating the protein interaction in swine cells, E2 amino acid residues Y65, V283, and T149 were determined to be critical for interaction with Dock7 by using a random mutated library of E2 and a reverse yeast two-hybrid approach. That disruption of these three residues with mutations Y65F, V283D, and T149A abrogated the Dock7-E2 protein interaction. These mutations were then introduced into a recombinant CSFV, E2DOCK7v, by a reverse genomics approach using the highly virulent CSFV Brescia isolate as a backbone. E2DOCKv was shown to have similar growth kinetics in swine primary macrophages and SK6 cell cultures to the parental Brescia strain. Similarly, E2DOCK7v demonstrated a similar level of virulence to the parental Brescia when inoculated in domestic pigs. Animals intranasally inoculated with 10 5 TCID 50 developed a lethal form of clinical disease with virological and hematological kinetics changes indistinguishable from that produced by the parental strain. Therefore, interaction between CSFV E2 and host DOCK7 is not critically involved in the process of virus replication and disease production.

60 APPLIED LIFE SCIENCES↗

BETO 2021 Peer Review - 1.3.2.001 - Algae Biomass Composition

Addressing critical improvements in biomass productivity and associated biochemical composition is a priority for the economic and sustainable commercial development of biofuels and bioproducts from algae. Capitalizing on pathways that integrate engineering approaches with fundamental biochemistry of photosynthetic organisms will lead to a better understanding of the complex nexus of algae growth rates, productivity and composition. This project focuses on identifying the critical factors for economic development of fuel and bioproduct technologies. Algal compositional characteristics form the foundation of robust economic and business models. This project supports that foundation by developing and validating accurate compositional methods and disseminating them to the greater community. Simultaneously, we build a deep understanding of the dynamic biochemical composition and carbon allocation for biomass value and conversion yields. A co-product portfolio developed under this project demonstrated a 30% increase in intrinsic value. Additionally, an integrated pipeline of molecular diversity mapping for product discovery with quantitative demonstration across species was deployed over the BETO algae program. The advances made here are highly relevant to BETO's multi-year program targets of reducing costs and integrating dynamic biomass composition with conversion processes to provide options for bioproducts, all leveraging the molecular diversity of algae.

algal compositional characteristics↗

INL Site ARG-US Implementation – FY22 Activities and FY23 Plans

The Packaging Certification and Life Cycle Management program at Argonne National Laboratory (ANL) developed a suite of monitoring systems collectively referred to here as ARG-US. ARG-US provides necessary data for nuclear facility and system operation and maintenance, and has been previously demonstrated in hot cells, radioactive material (RAM) storage areas, and RAM shipment trucks. It has also been installed directly on RAM storage and shipment containers. ARG-US offers some unique advantages over other commercially available systems by using wireless data connections, battery power supplies, and customizable monitoring methods. Idaho National Laboratory (INL) has been tasked with investigating applications for ARG-US at INL site facilities, which are operated by several different contractors. The initial investigation scope centered on CPP-603 Irradiated Fuel Storage Facility in relation to the upcoming Department of Energy (DOE) Spent Nuclear Fuel (SNF) Packaging Demonstration. The investigation has been led by the Used Fuel Management Department in INL’s Nuclear Science and Technology (NS&T) directorate. This investigation is expected to recommend INL site processes or facilities in which to implement ARG-US systems. INL has engaged local site technical and oversight representatives, security, nuclear safeguards, and program management personnel to identify good candidates for ARG-US test implementations. INL has identified the following high-level goals for any INL site implementation of ARG-US: provide unique testing environments, prompt development of new monitoring methods/techniques for the ARG-US suite, and acquire useful monitoring for the user facility. As a result, INL suggests three program areas for further investigation: CPP-603 Fuel Handling Cave (FHC), legacy mixed waste storage systems at Idaho Nuclear Technology & Engineering Center (INTEC) known as the “Tank Farm,” and periodic and emergency environmental monitoring. This progress report relates activities undertaken in this investigation, describes the preliminary areas of interest for limited scope ARG-US testing or implementation, and relays expected actions for completing the task scope. This report offers an opportunity to the program sponsor, technical leads at ANL, and INL site representatives to give feedback on the initial assessment and make recommendations on the forthcoming activities.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗