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At least 1,045 records · Page 58

Characterization of Coal Seam Produced Water from the Appalachian Basin: Geochemistry, Microbiology, and Biocatalyst Development for Biological CO 2 Conversion

To enhance domestic energy repositories, it is necessary to develop carbon utilization technologies to repurpose unused carbon sources, and/or enhance the economic viability and carbon conversion efficiency of current technologies. To this end we have developed a biocatalyst, enriched from coal seam produced water, to convert gaseous and liquid C1 compounds (e.g. CO 2 , bicarbonate, formate, and/or methanol) into acetate, a C2 organic acid with a projected global market size of $\$$32.4 billion USD by 2030.

01 COAL, LIGNITE, AND PEAT↗

Advanced Manufacturing of High-Performance Superconductor Wires for Next Generation Electric Machines

While the transition of RE-Ba-Cu-O (REBCO, RE = rare earth) wires from lab-scale to initial manufacturing demonstrations has been accomplished, the high manufacturing cost is a major impediment to a commercial market. At the onset of this project, commercial REBCO wires exhibiting a critical current of ~ 340 A/cm at 65 K, 1.5T (operating condition of superconducting rotating machines targeted in this project) costed about $\$$300/kA-m which is well above the cost of copper wire. In this project, the UH-led team employed multiple innovative techniques to meet the aggressive performance and cost targets established. The key technology that was developed in this project was advanced metal organic chemical vapor deposition (MOCVD) to fabricate REBCO wires with films as thick as 5 µm and with excellent critical current performance at 65 K, 1.5 T. In addition to excellent performance in short samples, a major accomplishment of this project was to scale up the Advanced MOCVD technology to lengths of 50 meters while maintaining the superior critical current. Multiple 50-m-long tapes were demonstrated in the project with uniform critical current, that confirmed the viability of our technology for industrial manufacturing. Beyond scaling up our technology to long lengths, we worked with our industrial partners to design a REBCO-based motor coil, constructed one such coil and fabricated it using long tapes made in this project. This motor coil was successfully tested at 77 K and 65 K which affirmed the viability of high-performance REBCO wires made in this work for industrial applications. In addition to high critical current, we also demonstrated >4x precursor-to-film conversion efficiency in the advanced MOCVD process which has a first order impact on wire cost.

36 MATERIALS SCIENCE↗

An Experimental and Computational Approach to Investigating CO 2 Uptake of Cellulose-producing Algae from Cellulosic Ethanol Production (Final Report)

This project combined experimental algal cultures with predictive quantum calculations to evaluate system-level CO 2 uptake and conversion efficiency of cellulose-producing Nannochloropsis sp. algae. Recently, Nannochloropsis sp. has garnered attention as a novel host organism for converting low-cost CO 2 produced from cellulosic ethanol fermentations into algal lipids for biodiesel production and microcrystalline cellulose as a high-value co-product. As depicted in the figure below, this project (1) optimized Nannochloropsis salina (N. salina) cultures on effluent gas produced directly from cellulosic ethanol fermentation, (2) characterized the fermentation products, quantify cellulose production, and calculate CO 2 uptake efficiency with predictive quantum calculations, (3) conducted a life cycle and techno economic analysis of the proposed integration, and (4) provided training opportunities to students attending UC Riverside.

09 BIOMASS FUELS↗

Enhancing chemical bioproduction with rational control of bacterial post-translational modifications

Efficient conversion of inexpensive feedstocks to valuable chemicals by microbes is critical for a robust bioeconomy, but the ability to rationally design bacteria is hampered by insufficient knowledge of how post translational modifications (PTMs) control bacterial protein function and thus bioproduction phenotypes. Our study will focus on the lysine acetylation, a ubiquitous bacterial PTM that can affect the function of enzymes in central metabolism that are often critical for bioproduction processes, disrupt transcriptional regulation, and reduce translation. However, most lysine acetylation data is observational, which means that we do not know when, how, and what specific acetylated residues affect protein function and bacterial physiology. For our model host, we will use a Pseudomonas putida strain that we previously engineered to convert lignocellulosic feedstocks into chemicals such as itaconic acid (ITA). With this strain, we use a dynamic two-stage bioproduction process in which ITA is produced during a non-growth associated production phase. Production is highest during growth stages when lysine acetylation is low in other organisms (early stationary phase) and stalls in conditions where acetylation is highest (late stationary phase). The switch from high to stalled ITA production is also correlated with an unexpected increase in acetate levels – the precursor to non-enzymatic lysine acetylation. As such, we predict that lysine acetylation plays a substantial role in regulating the metabolic pathways required for ITA production. We will develop a generalizable approach that combines high-throughput genetic screens and cutting-edge genome engineering with state-of-the-art proteomics, metabolomics, and genetic code expansion methods to identify and modulate lysine acetylation patterns in bacteria. Ultimately, these strategies aim to manipulate protein expression and acetylation patterns to enhance bioproduction phenotypes (e.g., sustained ITA production in late stationary phase).

60 APPLIED LIFE SCIENCES↗

Final Report for ARPA-E LOCOMOTIVES Advanced Locomotive Technology and Rail Infrastructure Optimization System (ALTRIOS) Project

The Advanced Locomotive Technology and Rail Infrastructure Optimization System (ALTRIOS) is a unique, fully integrated, open-source software tool used to evaluate strategies for cost-effectively deploying advanced locomotive technologies and associated infrastructure. ALTRIOS simulates freight-demand-driven train scheduling, mainline meet-pass planning, locomotive dynamics, train dynamics, energy conversion efficiencies, and energy storage dynamics of line-haul train operations. Because new locomotives represent a significant long-term capital investment and new technologies must be thoroughly demonstrated before deployment, this tool provides guidance on the risk/reward trade-offs and operation integration of different technology rollout strategies. An open, integrated simulation tool is valuable for identifying future research needs and making decisions on technology development, routes, and train selection. This final report details the ALTRIOS software architecture, major modules and components, and data validation process. It demonstrates the software's utility through a 30-year rollout case study targeting high penetration of advanced powertrain technologies by 2050 for two BNSF Railway routes: loaded taconite ore trains from Hibbing, Minnesota, to Superior, Wisconsin, and mixed-freight trains from Superior to Minneapolis, Minnesota.

33 ADVANCED PROPULSION SYSTEMS↗

SRF-Based Quantum Transduction for Quantum Computing and Sensing

The next groundbreaking frontier in Quantum Information Science (QIS) is the development of low-noise interconnections over fiber optics between superconducting radio-frequency (SRF) quantum devices. High-efficiency microwave-optical transduction serves as a pivotal enabler for distributed quantum computing and sensor networks. This presentation will provide a comprehensive overview of quantum transduction achieved by coupling SRF cavities to electro-optic optical resonators, enabling efficient conversion between microwave and optical photons. This research, supported by the DOE Early Career Research Program, advances technologies for quantum computing and sensing, and complements the mission of the Superconducting Quantum Materials and Systems (SQMS) Center at Fermilab.

Zorzetti, Silvia [Fermilab] (ORCID:000000023208338↗

Towards Spatial Control of Reaction Selectivity on Photocatalysts using Area Selective Atomic Layer Deposition on Model Dual Site Electrocatalyst Platform

Photocatalytic water splitting is a promising route to low-cost H2; however, this approach is currently limited by solar-to-hydrogen (STH) conversion efficiencies in the sub-10% range. Z-scheme water splitting, in which H2 and O2 evolving particles are operated in separate compartments and electronically coupled by a soluble redox mediator, offers improvements in STH efficiency but introduces high rates of undesired side and back reactions. Nanoscopic oxide coatings (e.g., CrOx, and SiOx) have previously been used to selectively block undesired reactants from reaching active sites; however, a coating encapsulating the entire photocatalyst particle limits activity as the particle can no longer facilitate both half reactions. In contrast to photodeposition, which may produce non-uniform overlayers due to the difficulty of controlling local electrochemical reactivity on the surface, area-selective atomic layer deposition (AS-ALD) can be used to deposit conformal ultrathin oxide coatings while preserving access to non-growth areas of a substrate surface. To develop this technique for Z-scheme photocatalysts, we performed AS-ALD of TiO2 on a dual site planar electrocatalyst based on interdigitated arrays of Pt and Au. Self-assembled monolayers of 1-octadecanethiol (ODT) were used to block growth on the Au array, resulting in a patterned surface in which only the Pt sites were encapsulated with TiO2. These electrocatalysts demonstrated localized reaction selectivity for hydrogen evolution reaction (HER) over the TiO2/Pt sites, while the uncoated Au sites retained activity towards Fe(II)/Fe(III) redox (FeRR). Under independent potential control, these microelectrodes showed that selectively deposited TiO2 coatings can suppress the rate of back reactions on neighboring active sites by an order of magnitude compared to uncoated control samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluating Lithium-Lead Mixtures for Increased Tritium Breeding in Fusion Energy Blanket Systems: Exploring the Impact of Composition and Temperature

This project investigates hypo- and hyper-eutectic liquid lithium-lead (PbLi) mixtures as a coolant in fusion blanket systems, with a focus on testing the compatibility of compositions with better tritium breeding ratios (TBR). The 12-month study concentrates on static corrosion experiments, comparing silicon carbide (SiC) corrosion rates in Li-rich and eutectic Li-Pb mixtures, and examining interactions between Mo and PbLi. The research seeks to determine the maximum operating temperatures for this material combination, acknowledging the balance between Li-Pb melting temperature and achievable TBR to unlock new opportunities for blanket design. This work lays the groundwork for future collaboration between Kyoto Fusioneering and Oak Ridge National Laboratory (ORNL). Findings could enhance the TBR of fusion blanket designs, and impact fusion energy development by confirming material compatibility between different Li-Pb mixtures with SiC and Mo at higher temperatures, including at temperatures relevant for very high-temperature blankets (1,000 °C), which could enable higher electricity conversion efficiencies and commercial applications using process heat.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Reinforcement Learning Control for Enhancing Marine Hydrokinetic Turbine Energy Generation

This paper proposes a reinforcement learning-based method to maximize power generation for a direct-drive marine hydrokinetic turbine. A high levelized cost of energy (LCOE) is preventative in the widespread adoption of many marine energy conversion technologies. A straightforward way to reduce LCOE is to increase conversion efficiency and ensure maximum energy generation. The proposed method utilizes a damping control methodology, varying applied generator torque via a linear relationship between the applied damping coefficient and rotor speed. A state-action-reward-state-action (SARSA) algorithm has been used to learn the optimal control action for a given flow velocity. The proposed SARSA methodology uses Gaussian radial basis functions to create a three-dimensional surface to estimate the relationship between damping coefficient, incoming flow velocity, and coefficient of power (C p ). Here, the SARSA algorithm was compared against a baseline optimal tip speed ratio controller over a year-long flow velocity case profile while considering the effects of biofouling on the turbine system, where the proposed RL method generated 0.92% more energy than the baseline.

Damp↗

Higher_wood_density_lowers_feedstock_cost_and_has_minimal_impact_on_biomass_conversion_to_biofuels

Poplar and other woody feedstocks have the potential to provide up to 200 million tons of biomass per year that could be converted to liquid fuels. Most forestry strategies that aim at increasing biomass productivity per hectare rely on short rotation plantations of fast-growing varieties. The improvement of wood density as a key trait itself has largely been overlooked. We evaluated natural variation in wood density across a population of genetically diversePopulus trichocarpatrees grown in a common garden. Wood density varies greatly within this population but is heritable higher wood density was not systematically associated with reduced growth, challenging assumptions of a trade-off between wood density and biomass accumulation. Furthermore, denser wood led to significant improvements throughout the supply chain, including, lowering biomass production and transportation costs. Higher density not correlate to changes in biomass composition. Density did not impact bioconversion in the two feedstock-to-fuel pipelines tested (pretreatment by ionic liquids or soaking in aqueous ammonia, and fermentation to ethanol) on a representative subset of poplars. These findings highlight wood density as a promising breeding target for accelerating the development of high-yielding, conversion-efficient bioenergy crops and as an avenue for increasing land-use efficiency and reducing biomass transportation cost. This data set contain three datasets.

CBI↗

Photonic Curing of Nickel Oxide Transport Layer and Perovskite Active Layer for Flexible Perovskite Solar Cells: A Path Towards High-Throughput Manufacturing

High-throughput roll-to-roll (R2R) manufacturing of perovskite solar cells (PSCs) is currently limited by thermal processes that take tens of minutes each, translating to impractically long annealing tools at high web speeds. In addition, PSCs are usually made with metal oxide transport layer materials that require high temperatures for thermal annealing. Here, we demonstrate the fabrication of PSCs using photonic curing, instead of thermal annealing, to convert NiO x directly from sol-gel precursors for hole transport layers and to crystallize methylammonium lead iodide (MAPbI 3 ) active layers on flexible Willow ® Glass substrates. Photonic curing uses short, intense pulses of light to process materials at a high speed, hence it is compatible with R2R manufacturing. We achieved power conversion efficiencies (PCEs) of 11.7% in forward-scan and 10.9% in reverse-scan for PSCs made with photonic cured NiO x and MAPbI 3 films. Furthermore, both NiO x and MAPbI 3 films could be processed with a single photonic curing pulse, with a web speed of 5.7 m/min, and still produce PCEs comparable to thermally annealed control samples. Based on the single-pulse photonic curing condition for each film, we project a web speed of 26 m/min, laying a pathway to high-throughput production of perovskite solar modules.

14 SOLAR ENERGY↗

Supercharged cellulases show superior thermal stability and enhanced activity towards pretreated biomass and cellulose

Non-productive binding of cellulolytic enzymes to various plant cell wall components, such as lignin and cellulose, necessitates high enzyme loadings to achieve efficient conversion of pretreated lignocellulosic biomass to fermentable sugars. Protein supercharging was previously employed as one of the strategies to reduce non-productive binding to biomass. However, various questions remain unanswered regarding the hydrolysis kinetics of supercharged enzymes towards pretreated biomass substrates and the role played by enzyme interactions with individual cell wall polymers such as cellulose and xylan. In this study, CBM2a (from Thermobifida fusca ) fused with endocellulase Cel5A (from T. fusca ) was used as the model wild-type enzyme and CBM2a was supercharged using Rosetta, to obtain eight variants with net charges spanning -14 to +6. These enzymes were recombinantly expressed in E. coli , purified from cell lysates, and their hydrolytic activities were tested against pretreated biomass substrates (AFEX and EA treated corn stover). Although the wild-type enzyme showed greater activity compared to both negatively and positively supercharged enzymes towards pretreated biomass, thermal denaturation assays identified two negatively supercharged constructs that perform better than the wild-type enzyme (~3 to 4-fold difference in activity) upon thermal deactivation at higher temperatures. To better understand the causal factor of reduced supercharged enzyme activity towards AFEX corn stover, we performed hydrolysis assays on cellulose-I/xylan/pNPC, lignin inhibition assays, and thermal stability assays. Altogether, these assays showed that the negatively supercharged mutants were highly impacted by reduced activity towards xylan whereas the positively supercharged mutants showed dramatically reduced activity towards cellulose and xylan. It was identified that a combination of impaired cellulose binding and lower thermal stability was the cause of reduced hydrolytic activity of positively supercharged enzyme sub-group. Overall, this study demonstrated a systematic approach to investigate the behavior of supercharged enzymes and identified supercharged enzyme constructs that show superior activity at elevated temperatures. Future work will address the impact of parameters such as pH, salt concentration, and assay temperature on the hydrolytic activity and thermal stability of supercharged enzymes.

09 BIOMASS FUELS↗

Editorial: Functionalization of porous materials for sustainable energy applications

Global energy demands are shifting toward a more sustainable future, with the goal of achieving carbon neutrality by 2050. Emerging technologies are driving this transition. The industry, academia, government, non-profit organizations, and the broader community are collaboratively working to reduce greenhouse gas (GHG) emissions and address climate change to ensure a sustainable future. According to the International Energy Agency, in 2022, the production, transportation, and processing of oil and gas resulted in 5.1 billion tons of CO 2 -equivalent emissions, representing nearly 15% of all energy-related GHG emissions. Moreover, the end-use of oil and gas accounted for an additional 40% of emissions. The IEA’s Net Zero Emissions by 2050 Scenario calls for immediate, collective action from the industry, transportation and other stakeholders to mitigate these emissions. In this effort, the development of energy materials will play a critical role in reducing emissions. Among these, porous materials offer an innovative solution, leveraging their high surface area, adjustable pore sizes, and chemical versatility to address these pressing challenges effectively. By carefully designing their nanostructures, the architecture and properties of these materials can be tailored for specific applications. Key factors such as chemical composition, particle size, pore distribution, and surface area optimization enhance the reactivity and energy conversion efficiency. Additionally, pre- and post-functionalization processes can introduce targeted chemical properties, further improving their performance. This Research Topic explores recent advancements in energy and materials science through four scholarly papers, showcasing innovative solutions for sustainable energy technologies while providing valuable insights into the unique properties and structure of porous materials (Figure 1). Li et al. present their work on highly defective NiFeV layered triple hydroxides, highlighting enhanced electrocatalytic activity and stability for oxygen evolution reactions (OER). Kovalskii et al. contribute a mini-review on hydrogen storage using hexagonal boron nitride (h-BN) and BN-based materials, offering an insightful overview of these promising materials. Chava et al. discuss their recent achievements in ceramic electrolytes used for improvement of performance of solid-state batteries. Lastly, Li et al. review the properties of porous materials with a focus on shrinkage behavior during the drying process, shedding light on key considerations for material design.

36 MATERIALS SCIENCE↗

Manipulation of glycogen and sucrose synthesis increases photosynthetic productivity in cyanobacteria

Photosynthetic productivity is limited by low energy conversion efficiency in naturally evolved photosynthetic organisms, via multiple mechanisms that are not fully understood. Here we show evidence that extends recent findings that cyanobacteria use “futile” cycles in the synthesis and degradation of carbon compounds to dissipate ATP. Reduction of the glycogen cycle or the sucrose cycle in the model cyanobacterium Synechocystis 6803 led to redirection of cellular energy toward faster growth under simulated outdoor light conditions in photobioreactors that was accompanied by higher energy charge [concentration ratio of ATP/(ATP + ADP)]. Such manipulation of energy metabolism may have potential in engineering microalgal chassis cells to increase productivity of biomass or target metabolites.

09 BIOMASS FUELS↗

Crystalline Orientation–Dependent Spin Hall Effect in Epitaxial Platinum

We report on the spin Hall effect in epitaxial Pt films with well-defined crystalline (200), (220), and (111) orientations and smooth surfaces. The magnitude of the spin Hall effect has been determined by spin–torque ferromagnetic resonance measurements on epitaxial Pt/Py heterostructures. We observed a 54% enhancement of the charge-to-spin conversion efficiency of the epitaxial Pt when currents are applied along the in-plane <002> direction. Temperature-dependent harmonic measurements on epitaxial Pt/Co/Ni heterostructures compared to a polycrystalline Pt/Co/Ni suggest the extrinsic mechanism underlying spin Hall effect in epitaxial Pt. Our work contributes to the development of energy-efficient spintronic devices by engineering the crystalline anisotropy of non-magnetic metals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Phenylpropanoid Biosynthesis Gene Expression Precedes Lignin Accumulation During Shoot Development in Lowland and Upland Switchgrass Genotypes

Efficient conversion of lignocellulosic biomass into biofuels is influenced by biomass composition and structure. Lignin and other cell wall phenylpropanoids, such as para -coumaric acid ( p CA) and ferulic acid (FA), reduce cell wall sugar accessibility and hamper biochemical fuel production. Toward identifying the timing and key parameters of cell wall recalcitrance across different switchgrass genotypes, this study measured cell wall composition and lignin biosynthesis gene expression in three switchgrass genotypes, A4 and AP13, representing the lowland ecotype, and VS16, representing the upland ecotype, at three developmental stages [Vegetative 3 (V3), Elongation 4 (E4), and Reproductive 3 (R3)] and three segments (S1–S3) of the E4 stage under greenhouse conditions. A decrease in cell wall digestibility and an increase in phenylpropanoids occur across development. Compared with AP13 and A4, VS16 has significantly less lignin and greater cell wall digestibility at the V3 and E4 stages; however, differences among genotypes diminish by the R3 stage. Gini correlation analysis across all genotypes revealed that lignin and p CA, but also pectin monosaccharide components, show the greatest negative correlations with digestibility. Lignin and p CA accumulation is delayed compared with expression of phenylpropanoid biosynthesis genes, while FA accumulation coincides with expression of these genes. The different cell wall component accumulation profiles and gene expression correlations may have implications for system biology approaches to identify additional gene products with cell wall component synthesis and regulation functions.

09 BIOMASS FUELS↗

Pore-Scale Dynamics of Liquid CO2–Water Displacement in 2D Axisymmetric Porous Micromodels Under Strong Drainage and Weak Imbibition Conditions: High-Speed μPIV Measurements

Resolving pore-scale transient flow dynamics is crucial to understanding the physics underlying multiphase flow in porous media and informing large-scale predictive models. Surface properties of the porous matrix play an important role in controlling such physics, yet interfacial mechanisms remain poorly understood, in part due to a lack of direct observations. This study reports on an experimental investigation of the pore-scale flow dynamics of liquid CO 2 and water in two-dimensional (2D) circular porous micromodels with different surface characteristics employing high-speed microscopic particle image velocimetry (μPIV). The design of the micromodel minimized side boundary effects due to the limited size of the domain. The high-speed μPIV technique resolved the spatial and temporal dynamics of multiphase flow of CO 2 and water under reservoir-relevant conditions, for both drainage and imbibition scenarios. When CO 2 displaced water in a hydrophilic micromodel (i.e., drainage), unstable capillary fingering occurred and the pore flow was dominated by successive pore-scale burst events (i.e., Haines jumps). When the same experiment was repeated in a nearly neutral wetting micromodel (i.e., weak imbibition), flow instability and fluctuations were virtually eliminated, leading to a more compact displacement pattern. Energy balance analysis indicates that the conversion efficiency between surface energy and external work is less than 30%, and that kinetic energy is a disproportionately smaller contributor to the energy budget. This is true even during a Haines jump event, which induces velocities typically two orders of magnitude higher than the bulk velocity. These novel measurements further enabled direct observations of the meniscus displacement, revealing a significant alteration of the pore filling mechanisms during drainage and imbibition. While the former typically featured burst events, which often occur only at one of the several throats connecting a pore, the latter is typically dominated by a cooperative filling mechanism involving simultaneous invasion of a pore from multiple throats. This cooperative filling mechanism leads to merging of two interfaces and releases surface energy, causing instantaneous high-speed events that are similar, yet fundamentally different from, burst events. Finally, pore-scale velocity fields were statistically analyzed to provide a quantitative measure of the role of capillary effects in these pore flows.

Li, Yaofa↗

“Seeing Is Believing”—In-Depth Analysis by Co-Imaging of Periodically-Poled X-Cut Lithium Niobate Thin Films

Nonlinear and quantum optical devices based on periodically-poled thin film lithium niobate (PP-TFLN) have gained considerable interest lately, due to their significantly improved performance as compared to their bulk counterparts. Nevertheless, performance parameters such as conversion efficiency, minimum pump power, and spectral bandwidth strongly depend on the quality of the domain structure in these PP-TFLN samples, e.g., their homogeneity and duty cycle, as well as on the overlap and penetration depth of domains with the waveguide mode. Hence, in order to propose improved fabrication protocols, a profound quality control of domain structures is needed that allows quantifying and thoroughly analyzing these parameters. In this paper, we propose to combine a set of nanometer-to-micrometer-scale imaging techniques, i.e., piezoresponse force microscopy (PFM), second-harmonic generation (SHG), and Raman spectroscopy (RS), to access the relevant and crucial sample properties through cross-correlating these methods. Based on our findings, we designate SHG to be the best-suited standard imaging technique for this purpose, in particular when investigating the domain poling process in x-cut TFLNs. While PFM is excellently recommended for near-surface high-resolution imaging, RS provides thorough insights into stress and/or defect distributions, as associated with these domain structures. In this context, our work here indicates unexpectedly large signs for internal fields occurring in x-cut PP-TFLNs that are substantially larger as compared to previous observations in bulk LN.

Reitzig, Sven (ORCID:0000000286970379)↗