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At least 577 records · Page 32

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DOE OSTI2021

Acylation as a successful derivatization strategy for the analysis of pinacolyl alcohol in a glycerol-rich matrix by GC-MS: application during an OPCW Proficiency Test

A derivatization protocol based on the acylation of pinacolyl alcohol (PA), an important marker for the nerve agent soman, is presented. The procedure provides a convenient means of detecting, by gas chromatography-mass spectrometry (GC-MS), PA when present at a low concentration in a complex glycerol/alcohol-rich matrix. While there are only two reports describing the specific analysis of PA in matrices at low concentrations, the protocol described herein represents the first of its kind in the analysis of PA in a highly reactive matrix. Two alternative paths for the protocol’s execution are presented. The first involves the direct derivatization of the PA with either acetyl or benzoyl chloride; both reactions yield ester products with significantly different retention times than those of the interferences of the reactive glycerol-rich matrix and in areas of the GC-chromatogram featuring lower levels of matrix interferences. A second procedure involved an initial diethyl ether/aqueous extraction of the matrix; while the extraction was found to substantially remove many of the hydrophilic matrix components and improve the overall derivatization, it also led to some loss of PA available for the derivatization. Both protocols were applied to the successful derivatization and analysis of PA by GC-MS when present at a 5 μg.mL -1 concentration in a glycerol-rich matrix sample administered during the 48th Proficiency Test administered by the Organisation for the Prohibition of Chemical Weapons (OPCW).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Alkali-silica reaction products and cracks: X-ray micro-tomography-based analysis of their spatial-temporal evolution at a mesoscale

In this study, we propose a laboratory-scale methodology, based on X-ray micro-tomography and caesium (Cs) as a contrast agent, to advance the understanding of cracking due to alkali-silica reaction (ASR) in concrete. The methodology allows achieving a completely non-destructive and time-lapse characterization of the spatial-temporal patterns of both the cracks and the ASR products. While Cs addition slightly accelerated the ASR kinetics, the crack patterns, with and without Cs addition, were statistically equivalent. Cracks with ASR products appeared first in the aggregates, close to the interface with the cement paste. They propagated afterwards towards the aggregates interior. Some products were then extruded for several mm into air voids and cracks in the cement paste. This process suggests that, in the early stage, the ASR products may be a low-viscosity gel that can flow away from the source aggregate and may settle later elsewhere as a rigid phase, upon calcium uptake.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Trajectory Shaper: A Solution for Disrupted Cooperative Adaptive Cruise Control

Cooperative adaptive cruise control (CACC) can effectively reduce energy consumption, alleviate traffic congestion, and enhance safety. However, communication-related constraints and uncooperative vehicle users can disrupt CACC during real-world operations, significantly undermining the putative benefits of CACC. To alleviate the negative impacts of disrupted CACC, this study develops the trajectory shaper (TS) methods as backup solutions for two scenarios: (i) communication between vehicles is infeasible, and vehicles execute adaptive cruise control (ACC) using local sensor measurements; (ii) follower vehicles reject forming a cooperative platoon and execute their local distributed controllers using the information attained via communication. When communication is infeasible, a distributed TS is devised on each vehicle to modify the sensor measurements, enabling safe and efficient ACC operations. When communication is available but uncooperative agents are involved, the lead vehicle of the platoon executes a centralized TS to modify the information shared with uncooperative agents, achieving optimal platoon-level performance. The centralized and distributed TSs are implemented based on the model predictive control algorithms to yield optimal modifications on input information. Robustness is also factored to tackle model uncertainties during TS operations to ensure safety and efficiency. Numerical experiments validate the control performance of the proposed TSs.

Zhou, Anye [ORNL] (ORCID:0000000301455579)↗

DOE OSTI2022

Au-activated N motifs in non-coherent cupric porphyrin metal organic frameworks for promoting and stabilizing ethylene production

Direct implementation of metal-organic frameworks as the catalyst for CO 2 electroreduction has been challenging due to issues such as poor conductivity, stability, and limited > 2e - products. In this study, Au nanoneedles are impregnated into a cupric porphyrin-based metal-organic framework by exploiting ligand carboxylates as the Au 3+ -reducing agent, simultaneously cleaving the ligand-node linkage. Surprisingly, despite the lack of a coherent structure, the Au-inserted framework affords a superb ethylene selectivity up to 52.5% in Faradaic efficiency, ranking among the best for metal-organic frameworks reported in the literature. Through operando X-ray, infrared spectroscopies and density functional theory calculations, the enhanced ethylene selectivity is attributed to Au-activated nitrogen motifs in coordination with the Cu centers for C-C coupling at the metalloporphyrin sites. Furthermore, the Au-inserted catalyst demonstrates both improved structural and catalytic stability, ascribed to the altered charge conduction path that bypasses the incoherent framework. This study underlines the modulation of reticular metalloporphyrin structure by metal impregnation for steering the CO 2 reduction reaction pathway.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Giant Starship Elements Mobilize Accessory Genes in Fungal Genomes

Accessory genes are variably present among members of a species and are a reservoir of adaptive functions. In bacteria, differences in gene distributions among individuals largely result from mobile elements that acquire and disperse accessory genes as cargo. In contrast, the impact of cargo-carrying elements on eukaryotic evolution remains largely unknown. Here, we show that variation in genome content within multiple fungal species is facilitated by Starships, a newly discovered group of massive mobile elements that are 110 kb long on average, share conserved components, and carry diverse arrays of accessory genes. We identified hundreds of Starship-like regions across every major class of filamentous Ascomycetes, including 28 distinct Starships that range from 27 to 393 kb and last shared a common ancestor ca. 400 Ma. Using new long-read assemblies of the plant pathogen Macrophomina phaseolina, we characterize four additional Starships whose activities contribute to standing variation in genome structure and content. One of these elements, Voyager, inserts into 5S rDNA and contains a candidate virulence factor whose increasing copy number has contrasting associations with pathogenic and saprophytic growth, suggesting Voyager’s activity underlies an ecological trade-off. We propose that Starships are eukaryotic analogs of bacterial integrative and conjugative elements based on parallels between their conserved components and may therefore represent the first dedicated agents of active gene transfer in eukaryotes. Our results suggest that Starships have shaped the content and structure of fungal genomes for millions of years and reveal a new concerted route for evolution throughout an entire eukaryotic phylum.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Thixotropic polysiloxane pastes for additive manufacturing

Shelf-stable, rapid crosslinking, “all-in-one” pastes useful as “inks” in additive manufacturing are provided. These pastes exhibit desirable rheological flow properties and crosslinking upon exposure to UV light. The pastes are based on vinylsilyl-functionalized, completely amorphous, linear terpolysiloxanes containing predominantly dimethylsiloxy-repeat units with small amounts of diphenylsiloxy-, methylphenylsiloxy-, diethylsiloxy-, and/or methyltrifluoroalkylsiloxy-crystallization disruptors. The base polymers are preferably compounded with a trimethylsilylated-hydrophobic silica filler, thixotropic flow agent, hydrosilyl-functionalized oligomeric crosslinker, and a catalytic system comprising platinum(II) acetylacetonate or trimethyl(methylcyclopentadienyl)-platinum(IV), and diethyl azodicarboxylate.

Messman, Jamie Michael↗

DOE OSTI2023

Thixotropic polysiloxane pastes for additive manufacturing

Messman, Jamie Michael↗

DOE OSTI2023

Intelligent network slicing and policy-based routing engine

One or more aspects of the present disclosure are directed to network optimization solutions provided as software agents (applications) executed on network nodes in a heterogenous multi-vendor environment to provide cross-layer network optimization and ensure availability of network resources to meet associated Quality of Experience (QoE) and Quality of Service (QoS). In one aspect, a network slicing engine is configured to receive at least one request from at least one network endpoint for access to the heterogeneous multi-vendor network for data transmission; receive information on state of operation of a plurality of communication links between the plurality of nodes; determine a set of data transmission routes for the request; assign a network slice for serving the request; determine, from the set of data transmission routes, an end-to-end route for the network slice; and send network traffic associated with the request using the network slice and over the end-to-end route.

Mody, Apurva N.↗

DOE OSTI2024

Thixotropic polysiloxane pastes for additive manufacturing

Shelf-stable, rapid crosslinking, “all-in-one” pastes useful as “inks” in additive manufacturing are provided. These pastes exhibit desirable rheological flow properties and crosslinking upon exposure to UV light. The pastes are based on vinylsilyl-functionalized, completely amorphous, linear terpolysiloxanes containing predominantly dimethylsiloxy- repeat units with small amounts of diphenylsiloxy-, methylphenylsiloxy-, diethylsiloxy-, and/or methyltrifluoroalkylsiloxy- crystallization disruptors. The base polymers are preferably compounded with a trimethylsilylated-hydrophobic silica filler, thixotropic flow agent, hydrosilyl-functionalized oligomeric crosslinker, and a catalytic system comprising platinum (II) acetylacetonate or trimethyl(methylcyclopentadienyl)-platinum (IV), and diethyl azodicarboxylate.

Messman, Jamie Michael↗

DOE OSTI2021

Printed graphene oxide-based membranes for gas separation and carbon capture

Graphene oxide (GO)-based separation membranes have demonstrated the great potential to separate molecules and ions by the interlayer spacing with tunable nano-sized channels. The scalable fabrication of GO-based gas separation membranes, however, remains challenging, although a few preparation approaches have been reported. Here in this work, we present for the first time that the co-solvent ink-jet printing, as a fast and scalable method, can be utilized for scalable GO-based gas separation membrane preparation. Large-area (>100 cm 2 ), ultrathin, and high-quality GO membrane was successfully deposited on commercial polysulfone (PS) support, and characterized by scanning electron microscopy, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, and X-ray diffraction, et al., Selective hydrogen (H 2 ) and helium (He) transport over carbon dioxide (CO 2 ) and nitrogen (N 2 ) was demonstrated for the printed GO membrane. To further explore the separation potential of the printed GO-based gas membrane, additives for facilitated molecular transport were incorporated during the membrane printing process. By inserting CO 2 -philic agents into the printed GO membrane, highly efficient separation of CO 2 from N 2 was achieved with CO 2 /N 2 selectivity of 70 and CO 2 permeance as high as 2,500 GPU. The strategy proposed here may provide guidance for large-scale GO-based gas separation membrane production and a versatile approach for applying other functional 2-dimensional materials towards the membrane separation application.

42 ENGINEERING↗

DOE OSTI2022

Non-target RNA depletion strategy to improve sensitivity of next-generation sequencing for the detection of RNA viruses in poultry

PCR-based assays have become the benchmark for detecting pathogens of poultry and other livestock; however, these techniques are limited in their ability to detect multiple infecting agents, provide limited genetic information on the pathogen, and, for RNA viruses, must be reviewed frequently to assure high sensitivity and specificity. In contrast, untargeted, high-throughput sequencing can rapidly detect all infecting agents in a sample while providing genomic sequence information to allow more in-depth characterization of viruses. Although next-generation sequencing (NGS) offers many advantages, one of its primary limitations is low sensitivity to pathogens given the abundance of host and other non-target sequences in sequencing libraries. We explored methods for improving the sensitivity of NGS to detect respiratory and enteric viruses in poultry from RNA extracts of swab samples. We employed commercial and custom-designed negative enrichment strategies to selectively deplete the most abundant rRNA reads from the host and non-target bacteria; host RNA was diminished from up to 40% of total reads to as low as 3%, and the total number of reads assigned to abundant bacterial classes were reduced greatly. Our treatment resulted in up to a 700-fold increase in the number of viral reads, detection of a greater number of viral agents, and higher average genome coverage for pathogens. Depletion assays added only 2 h to the NGS library preparation workflow. Custom depletion probe design offered significant cost savings (US$7–12 per sample) compared to commercial kits (US$30–50 per sample).

Parris, D. Joshua↗

DOE OSTI2023

Fractionated and purified hybrid poplar lignins as a polyol replacement in rigid polyurethane/polyisocyanurate foams

This study introduces fractionated lignin as an innovative component in the formulation of rigid polyurethane/polyisocyanurate (PUR/PIR) foams. Low-density PUR/PIR rigid foams were prepared by replacing 80% of the petrochemical-based polyol with a hybrid poplar (HP) lignin, recovered via alkaline pretreatment, and also with a fraction of this lignin, isolated via the Aqueous Lignin Purification with Hot Agents (ALPHA) process. The as-recovered HP and ALPHA-fractionated HP lignins were characterized to determine hydroxyl content, molecular weight (Mw) distribution, and pH. Both lignin-based foams met minimum standard requirements in terms of closed cell content, compression strength, and thermal conductivity. Notably, the foams made with ALPHA-based lignin outperformed the as-recovered lignin-based foams in all measured foam properties. Moreover, the ALPHA-based foam had comparable performance to the control foam (without lignin) except for density and even surpassed the control foam in closed cell content and compressive strength. This investigation of the molecular properties of lignin suggests that significant reductions in lignin average molecular weight and polydispersity (PDI) can positively impact the properties of lignin-based rigid foams.

09 BIOMASS FUELS↗

DOE OSTI2026

MOSAIC-CONUS: A Multimodal, Multi-Temporally Paired Dataset for Earth Sciences

Earth embeddings—vector representations of geographic locations indexed in space and time—are emerging as a unifying interface for geospatial AI. However, their quality depends not only on model design, but on how multimodal Earth observation (EO) data are spatially indexed, temporally aligned, and cross-modally associated during pretraining. We introduce MOSAIC-CONUS (Multimodal Observations with Spatially Aligned Imagery, Urban Points of Interest, In-Situ Measurements and Text Captions), a large-scale EO dataset over the contiguous United States, organized around 250,000 stratified point indices that serve as stable spatial keys across seven modalities: active radar, passive optical imagery, lidar-derived elevation, land cover, functional context, hydrometeorological measurements, and textual summaries. Unlike existing EO datasets, MOSAIC-CONUS introduces four contributions not jointly addressed in prior work: 1. an open-source, large-scale multimodal EO corpus structured around point-indexed data designed to support Earth embedding learning; 2. explicit radar-optical pairing tables spanning twelve temporal alignment regimes, formalizing cross-sensor alignment as a controllable variable for analyzing how temporal mismatch across modalities influences learned embeddings quality; 3. a benchmark suite spanning cross-modal retrieval, annual nightlights regression, and basin-held-out streamflow prediction, positioning MOSAIC-CONUS as a benchmark-ready resource for multimodal AI systems; and 4. a language-based embedding layer through co-registered textual summaries, enabling Earth embeddings to function as a queryable interface for agentic AI systems. The dataset and pairing protocols are publicly released.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Designing a transactive electric vehicle agent with customer’s participation preference

The proliferation of electric vehicles (EVs) and their inherent flexibility in charging timings make them an asset to improve grid performance. In contrast to direct control by a utility or autonomous price-based charging, the transactive control framework not only provides benefits to both grid and customers but also ensures customer autonomy. In this work, we design a transactive electric vehicle (TEV) agent that incorporates the EV owner’s willingness to trade-off between savings and amenity in form of a slider, where the EV owner’s amenity is characterized as vehicle readiness. Further, a privacy-preserving bidding formulation is proposed that also represents the customer’s transactive preference. A transactive market mechanism is discussed that integrates the TEV Agents into the local retail market and reconciles with the current day-ahead and real-time market structure. It is demonstrated that the proposed slider is able to provide a preferred trade-off between savings and amenity to individual customers. At the same time, the market mechanism is shown to successfully reduce both peak prices and peak demand. A comparative investigation of V1G and V2G technologies with respect to the battery prices is also discussed. It reveals that the V2G does not offer significant additional benefits with current battery prices, but could be promising if battery costs decline in the future.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2022

Research and development of hydrogen carrier based solutions for hydrogen compression and storage

Industrial and public interest in hydrogen technologies has risen strongly recently, as hydrogen is the ideal means for medium to long term energy storage, transport and usage in combination with renewable and green energy supply. In a future energy system, the production, storage and usage of green hydrogen is a key technology. Hydrogen is and will in future be even more used for industrial production processes as a reduction agent or for the production of synthetic hydrocarbons, especially in the chemical industry and in refineries. Under certain conditions material based systems for hydrogen storage and compression offer advantages over the classical systems based on gaseous or liquid hydrogen. This includes in particular lower maintenance costs, higher reliability and safety. Hydrogen storage is possible at pressures and temperatures much closer to ambient conditions. Hydrogen compression is possible without any moving parts and only by using waste heat. In this paper, we summarize the newest developments of hydrogen carriers for storage and compression and in addition, give an overview of the different research activities in this field.

08 HYDROGEN↗

DOE OSTI2023

Ringing Artifact Reduction Method for Ultrasound Reconstruction Using Multi-Agent Consensus Equilibrium

Non-destructive characterization of multi-layered structures that can be accessed from only a single side is important for applications such as well-bore integrity inspection. Existing methods related to Synthetic Aperture Focusing Technique (SAFT) rapidly produce acceptable results but with significant artifacts. Recently, ultrasound model-based iterative reconstruction (UMBIR) approaches have shown significant improvements over SAFT. However, even these methods produce ringing artifacts due to the high fractional-bandwidth of the excitation signal.In this paper, we propose a ringing artifact reduction method for ultrasound image reconstruction that uses a multi-agent consensus equilibrium (RARE-MACE) framework. Our approach integrates a physics-based forward model that accounts for the propagation of a collimated ultrasonic beam in multi-layered media, a spatially varying image prior, and a denoiser designed to suppress the ringing artifacts that are characteristic of reconstructions from high-fractional bandwidth ultrasound sensor data. We test our method on simulated and experimental measurements and show substantial improvements in image quality compared to SAFT and UMBIR.

Alanazi, Abdulrahman M↗

DOE OSTI2026

Development and Implementation of a New AI-Based Tool to Support Fast Reactor Software Model Generation and Validation

This report summarizes FY26 work to develop Maggie, an artificial intelligence-based assistant designed to support software model generation and validation activities for fast reactor analysis codes. The project established a modular, code-agnostic software architecture that separates reusable agent capabilities from code-specific knowledge and tools, with initial implementation focused on the FRP-supported fast reactor safety analysis code SAS4A/SASSYS1 (SAS). A curated SAS-specific knowledge base was assembled from the code manual, training materials, historical analysis reports, and representative input files, and was integrated through retrieval-augmented generation to ground Maggie’s responses in authoritative sources. Maggie was deployed on the internal Argonne network, where it demonstrated practical user-facing capability as a chatbot for answering natural language questions about SAS and retrieving relevant technical information. Demonstration cases also showed that Maggie can generate useful snippets of SAS input for selected modeling tasks, while highlighting current limitations in reliability and consistency for more complex input generation tasks. Overall, the FY26 effort established the technical foundation for an AI-assisted capability intended to improve the efficiency, consistency, and accessibility of fast reactor software model development at Argonne and, with further improvements, to support eventual use by the broader fast reactor community, including industry users of FRP-supported analysis tools.

Thomas, Rachel [Argonne National Laboratory (ANL),↗

DOE OSTI2022

Bioremediation of heavy oily sludge: a microcosms study

Oily sludge is a residue from the petroleum industry composed of a mixture of sand, water, metals, and high content of hydrocarbons (HCs). The heavy oily sludge used in this study originated from Colombian crude oil with high density and low American Petroleum Institute (API) gravity. The residual waste from heavy oil processing was subject to thermal and centrifugal extraction, resulting in heavy oily sludge with very high density and viscosity. Biodegradation of the total petroleum hydrocarbons (TPH) was tested in microcosms using several bioremediation approaches, including: biostimulation with bulking agents and nutrients, the surfactant Tween 80, and bioaugmentation. Select HC degrading bacteria were isolated based on their ability to grow and produce clear zones on different HCs. Degradation of TPH in the microcosms was monitored gravimetrically and with gas chromatography (GC). The TPH removal in all treatments ranged between 2 and 67%, regardless of the addition of microbial consortiums, amendments, or surfactants within the tested parameters. The results of this study demonstrated that bioremediation of heavy oily sludge presents greater challenges to achieve regulatory requirements. Additional physicochemical treatments analysis to remediate this recalcitrant material may be required to achieve a desirable degradation rate.

59 BASIC BIOLOGICAL SCIENCES↗