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At least 1,657 records · Page 92

Operation of Concentrating Solar Power Plants in the Western Wind and Solar Integration Phase 2 Study

The Western Wind and Solar Integration Study (WWSIS) explores various aspects of the challenges and impacts of integrating large amounts of wind and solar energy into the electric power system of the West. The phase 2 study (WWSIS-2) is one of the first to include dispatchable concentrating solar power (CSP) with thermal energy storage (TES) in multiple scenarios of renewable penetration and mix. As a result, it provides unique insights into CSP plant operation, grid benefits, and how CSP operation and configuration may need to change under scenarios of increased renewable penetration. Examination of the WWSIS-2 results indicates that in all scenarios, CSP plants with TES provides firm system capacity, reducing the net demand and the need for conventional thermal capacity. The plants also reduced demand during periods of short-duration, high ramping requirements that often require use of lower efficiency peaking units. Changes in CSP operation are driven largely by the presence of other solar generation, particularly PV. Use of storage by the CSP plants increases in the higher solar scenarios, with operation of the plant often shifted to later in the day. CSP operation also becomes more variable, including more frequent starts. Finally, CSP output is often very low during the day in scenarios with significant PV, which helps decrease overall renewable curtailment (over-generation). However, the configuration studied is likely not optimal for High Solar Scenario implying further analysis of CSP plant configuration is needed to understand its role in enabling high renewable scenarios in the Western United States.

14 SOLAR ENERGY↗

Scalable Data Management, Analysis, and Visualization (SDAV) Institute

Analytics-driven data layout optimizations and compression (NCSU): We have developed solutions that address challenges related to scientific data indexing, compression, and storage layout problems. Moreover, in addition to focusing on mainstream uniform mesh data, we have also addressed Adaptive Mesh Refinement (AMR) data.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Improving Energy Efficiency of Air Separation via Hollow Fiber Sorbents

This report summarizes the work performed under the Department of Energy’s National Energy Technology Laboratory (DOE-NETL) Advanced Energy Systems Program award number DE-FE0026163 Improving Energy Efficiency of Air Separation via Hollow Fiber Sorbents. The overall objective of the project was to develop technology to produce oxygen for use in coal gasification processes at a significantly lower cost than that of the commercial state-of-the-art technology. The focus of the project was development and optimization of hollow fiber sorbents for use in a pressure swing adsorption (PSA) process for producing oxygen from air. The key technical advancement under this program was the development of a hollow fiber sorbent capable of producing oxygen in a PSA process. PSAs produce oxygen by using a beaded zeolite material (typically lithium exchanged zeolites or LiX) that selectively adsorb nitrogen over oxygen. For a fiber to adsorb nitrogen, LiX needed to be integrated into a polymer fiber and then activated at over 350C to remove residual moisture. After screening multiple materials and process techniques, Matrimid/LiX hollow fibers were produced that were able to withstand the activation and had crystalline nitrogen capacity close to pure LiX crystals. The fibers were dual layer fibers with a barrier layer isolating the hollow bore from the LiX embedded layer. The barrier layer was formed from an Ultem® based solution. The hollow bore was intended for encapsulating phase change materials to ensure isothermal PSA operation. Modeling work from the project suggested that the benefits of this additional complexity were marginal, thus the team fabricated non-hollow fibers comprised of Matrimid and LiX. The Matrimid/LiX fibers were loaded into a module and tested on a bench scale PSA unit. The fibers were able to separate oxygen from air, but the purity and recovery were lower than expected and lower than traditional beaded LiX zeolites, although modeling results suggested that the bed sizes for fiber sorbents could be half the size of a beaded LiX bed. Additional work will be needed to understand the shortfall and to produce fiber sorbent modules with performance equal to the targets set for this program. In addition to producing fibers, modeling work was carried out at both the fiber level and process level to guide both fiber sorbent development and to determine the optimal process conditions for a PSA using fiber sorbents. A 2D hollow fiber model was developed in gPROMS Model Builder. This model was based on literature data for mass transfer and other parameters. This model used a basic single bed PSA process to determine important fiber properties and process conditions for achieving high oxygen recovery. The preliminary 2D fiber model was a valuable tool, however, for step-out technologies, such as a PSA process with fiber sorbents, intelligent optimization and plant control was needed to effectively determine minimum power designs. Therefore, a gPROMS Process Builder-based optimization tool was developed with an “Automated Cycle Optimizer” model that was able to determine optimal cycle conditions for a fiber sorbent PSA. The results from the optimizer were used in the final power analysis. Flow sheet analysis and techno-economic analysis (TEA) was carried out to determine a lower power solution versus the baseline case. The original project scope suggested that the fiber sorbent PSA could be used to debottleneck a cryogenic air separation plant (cryo-ASU) with the combined plant having lower power than a standalone cryo-ASU. However, early flowsheet analysis showed that the PSA/cryo-ASU concept would not lead to a lower power solution. However, further flowsheet analysis suggested that an oxygen PSA combined with a nitrogen PSA could have lower power versus state-of-the-art air separation technology. Work concluded with the TEA showing a fiber sorbent oxygen PSA combined with an advanced nitrogen PSA could be up to 8% lower power versus the base case cryo-ASU. Overall, there is significant potential remaining for the zeolite hollow fiber sorbent concept, and this project successfully identified -- and ultimately remedied -- many technical challenges associated with scale-up.

01 COAL, LIGNITE, AND PEAT↗

Performance loss rate comparison between satellite and ground-based sensors for normalization

Understanding and quantifying the performance loss rate (PLR) of PV plants is crucial for predicting energy production, improving future designs and construction practices and optimizing maintenance activities. One difficulty in PLR analysis is ensuring irradiance sensor accuracy, since unaccounted for sensor drift can cause a perceived shift in performance similar in magnitude to typical PLR values. This study compares the calculated PLR values for a set of 24 large-scale plants (calculated for each of the 1132 inverters) using ground-based, satellite-based, and clear sky irradiance to examine the impact.

14 SOLAR ENERGY↗

Design of Defensive Cybersecurity Architectures for High Temperature, Gas-Cooled Reactors

This report presents the design of defensive cybersecurity architectures (DCSAs) for High Temperature, Gas-Cooled Reactors (HTGRs). A DCSA is a cybersecurity design feature that places systems into security zones in a graded approach according to the importance of the functions performed by the systems. DCSA design efforts for advanced reactors may commence as early as the system-level design phase. This design approach is consistent with the draft regulatory guide for advanced reactor cybersecurity programs (DG-5075) and enables advanced reactor designers to consider the effects of security-by-design (SeBD) features on their DCSAs. Integration of DCSA design and other cybersecurity activities with the traditional design process as part of a SeBD framework may enable advanced reactor designers to improve the security posture of their plants while reducing implementation and operating costs. This report provides a DCSA template for an exemplar HTGR and describes a DCSA design process using event tree analysis so that the template may be optimized for a given HTGR design.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

ILAW Container Cost Reduction and Optimization Study

This study, performed on behalf of Washington River Protection Solutions (WRPS), examines the potential for making cost savings for the Immobilized Low Active Waste (ILAW) containers over the mission life of the Waste Treatment and Immobilization Plant (WTP). it builds on earlier study assessments 24590-LAW-RPT-M-01-001 Rev 0 ILAW Product Container Specifications Optimization Study and DOE/ORP-2013-02 Rev 0 Decision Analysis of Low-Active Waste Container Finishing Handling System Alternatives. The WTP design and installed equipment has evolved over an extended period ~20 years. Consequently, some of the existing requirements relating the ILAW containers may no longer be applicable under current mission plans where the glass filled containers are placed into the Integrated Disposal Facility (IDF) rather than stacked in an engineered purpose-built ventilated store as originally envisioned. The study team reviewed available WTP project reference documents to establish the functions the container must perform and assign requirements against each of these functions. With the assumptions that some of the existing WTP contract restrictions would not necessarily apply to the subsequent facility operations contract the container requirements were reviewed to identify those which were ‘hard constraints‘, imposed by regulatory requirements. Initially each of these hard constraints were reviewed, evaluated and documented to see if they precluded the use of an alternate less expensive material of construction, carbon steel, to the existing 304 L stainless steel in the current container specification. That review did not generate any fatal flaws for a change in material of construction to carbon steel allowing the study team to examine the impacts of material cost savings, potential changes to the design and requirements and impacts on interfaces of the containers with the existing WTP process equipment from container receipt, transfers, glass filling, cooling and export. In addition, a change in container target fill level was evaluated and qualitative, and quantitative where feasible, impacts to the container fabrication process assessed. Lastly, additional follow on development or testing activities to support the use of carbon steel were assessed and a recommended path forward with a ROM cost and timescale developed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Direct Ink Write and Processing of Complex 3D Marine Compatible Structures with Calcium Carbonate Slurries

Ocean acidification heavily impacts marine ecosystems by reducing calcification. Many coral-algae symbiotic relationships are in jeopardy due to the destruction of coral reefs. Here, a ceramic ink compatible with the direct ink write additive manufacturing technique was formulated and used to print marine compatible structures that could grow algae and restore that relationship. A diacrylate polymer was mixed with calcium carbonate, a material that comprises a coral skeleton, to create a slurry with shear thinning properties. Rheology studies were conducted to confirm printing properties and characterize the slurry. Printed parts demonstrated strong control over print features, including size and infill design. Various infill patterns and percentages were attempted to optimize printability and potential algae growth. Thermogravimetric analysis helped determine a logical burnout and sintering procedure to avoid large cracking. This project developed a printable and sinter-able calcium carbonate ceramic slurry for complex marine-compatible structures and algae growth. This research was conducted in the support of the Eco Reef project.

36 MATERIALS SCIENCE↗

Developing a Framework for Valuation of Grid Services

The electric system is rapidly evolving and growing, raising new questions about how to define and value grid services delivered by a diverse set of resources, including customer-owned assets. This report advances a service–parameter–value framework that links what a grid service does to why it matters, and how its benefits are evidenced. We build upon prior efforts (Bender et al. 2021) and extend them to include value categories (reliability, resilience, cost & access, and security) with primary and secondary tiers, service-specific value streams that explain how benefits materialize, and metrics that make valuation traceable and comparable. We apply the framework to the six core grid services defined in (Kolln et al. 2023): Frequency Response, Regulation, Reserves, Energy, Voltage Management, and Blackstart and demonstrate it on three use cases to highlight the adaptability of these value streams. Further, we outline how the framework integrates with existing tools such as asset optimization, hosting capacity and cost-benefit analysis, and propose a path to portable qualifications and consistent stacking rules for use in tariffs and filings. Finally, we identify future pathways for research and application research needs to support standardization and decision-ready comparisons across services, assets, and architectures.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Progress in Modeling and Simulation of Batteries

Modeling and simulation of batteries, in conjunction with theory and experiment, are important research tools that offer opportunities for advancement of technologies that are critical to electric motors. The development of data from the application of these tools can provide the basis for managerial and technical decision-making. Together, these will continue to transform batteries for electric vehicles. This collection of nine papers presents the modeling and simulation of batteries and the continuing contribution being made to this impressive progress, including topics that cover: * Thermal behavior and characteristics * Battery management system design and analysis * Moderately high-fidelity 3D capabilities * Optimization Techniques and Durability As electric vehicles continue to gain interest from manufacturers and consumers alike, improvements in economy and affordability, as well as adoption of alternative fuel sources to meet government mandates are driving battery research and development. Progress in modeling and simulation will continue to contribute to battery improvements that deliver increased power, energy storage, and durability to further enhance the appeal of electric vehicles.

batteries↗

Representativeness-based Sampling Network Design for the State of Alaska

This data set collection consists of data products described in Hoffman et. al., 2013. Resource and logistical constraints limit the frequency and extent of environmental observations, particularly in the Arctic, necessitating the development of a systematic sampling strategy to maximize coverage and objectively represent environmental variability at desired scales. A quantitative methodology for stratifying sampling domains, informing site selection, and determining the representativeness of measurement sites and networks is described here. Multivariate spatiotemporal clustering was applied to down-scaled general circulation model results and data for the State of Alaska at 4 km2 resolution to define multiple sets of ecoregions across two decadal time periods. Maps of ecoregions for the present (2000-2009) and future (2090-2099) were produced, showing how combinations of 37 characteristics are distributed and how they may shift in the future. Representative sampling locations are identified on present and future ecoregion maps. A representativeness metric was developed, and representativeness maps for eight candidate sampling locations were produced. This metric was used to characterize the environmental similarity of each site. This analysis provides model-inspired insights into optimal sampling strategies, offers a framework for up-scaling measurements, and provides a down-scaling approach for integration of models and measurements. These techniques can be applied at different spatial and temporal scales to meet the needs of individual measurement campaigns. This dataset contains one zipped file, one .txt file, and one .sh file.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Design, Optimization, and Validation of GaN-Based DAB Converter for Active Cell Balancing in BTMS Applications: Preprint

This paper focuses on the design of a bidirectional dual active bridge (DAB) DC/DC converter that utilizes Gallium Nitride (GaN) switches as active components. In the existing literature, MOSFET-based DAB for active cell balancing is available, but GaN-based DAB converter for active cell balancing is still new. The proposed modular isolated GaN-based DAB converter is designed as an individual module of active cell balancing for behind-the-meter storage (BTMS) applications, targeting high-power charging stations. Modular isolated converters are connected to each cell (low voltage bus), and each cell is connected in series to build up a battery module. According to the reference current command of supervisory control, each DAB converter can transfer power back and forth through the high voltage (HV) bus to balance the State of Charge (SoC) between the cells. Each module DAB converter is designed at a 50W power rating. Switch power and transformer losses are analyzed for different switching frequencies, showing the optimum switching frequency for minimum losses. Furthermore, the procedure to select the required gate driver and the PCB layout optimization are discussed. Finally, the DAB performance analysis of GaNbased DAB and Si-based DAB is provided for a battery module operating with a LiFeMnPO4 prismatic cell with 3.2V 20Ah rated values.

active cell balancing↗

The synthesis and air oxidation behavior of U-Si-Al and U-Si-B compositions

Uranium silicide intermetallic compounds are currently under investigation by the DOE-NE Advanced Fuels Campaign as candidate accident tolerant nuclear fuel concepts for light water reactors. While many U-Si compounds offer benefits compared to reference UO{sub 2} in terms of heavy metal density and thermal conductivity, they have been shown to display poor resistance to oxidizing atmospheres above 400 Celsius degrees. The general oxidation behavior of all U-Si compounds is oxidation of uranium; formation of UO{sub 2} followed by U{sub 3}O{sub 8} leads to rapid pulverization of the material. It is hypothesized that introducing an additional compositional degree of freedom by exploring U-Si-X (X=Al or B) ternary systems may provide the means to design a candidate nuclear fuel which optimizes the benefits of each binary. Phase analysis and preliminary oxidation testing were performed on four compositions containing alloying additions to U{sub 3}Si{sub 2} and U{sub 3}Si{sub 5}. Aluminum additions to U{sub 3}Si{sub 2} were observed to increase the oxidation resistance by delaying the onset of oxidation during synthetic air ramp testing. U{sub 3}Al{sub 2}Si{sub 3} delayed the onset of oxidation to T>650 C. degrees. During a 10 hour isothermal hold at 400 C. degrees in air the compound gained very little mass, indicating that it could be stable at reactor operating temperatures. Further analysis of this material is necessary to determine its oxidation behavior in steam and determine the specific mechanism that is providing the delayed oxidation. Boron additions to U{sub 3}Si{sub 5} do not appear to provide any additional oxidation resistance to the compound as tested in this work. The 1.67 at.% addition of B produced primarily single-phase composition. Melting and sintering studies followed by further compositional and thermal analyses are required to advance this composition as a candidate composite fuel additive. Lastly, the nominally U{sub 3}BSi{sub 4} composition produced a multi-phase system which provided no additional oxidation resistance following either a synthetic air ramp oxidation test or a pre-passivation isothermal hold at 800 C. degrees.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

EPRI Software for Estimating Decommissioning Waste Volumes - 16046

EPRI has adapted computer software that can estimate the volume and activity content of waste resulting from the dismantlement of nuclear facilities. This software, designated as Automatic Estimation of the Radiological Inventory or AERI, was originally developed by Iberdrola for use by ENRESA in Spain. The software estimates the radiological inventory for all the components and civil structures of the plant or other facility that are included in the physical inventory. The radiological inventory shows the internal and external surface contamination, as well as the volumetric contamination. The processes of the software are able to estimate both the specific activity levels (in Bq/g or pCi/g) for each radionuclide and the surface activity (Bq/cm{sup 2} or dpm/100 cm{sup 2}) for components and civil structures located in the radiological areas. AERI allows the user to extrapolate, through a statistical approach, the contamination levels obtained by sampling data in specific components and civil structures to the entire facility. The main benefits and values obtained with AERI are the following: - The radiological inventory of the plant can be obtained from a limited set of radiological sampling data. Using the mathematical models allows for the optimization of the number of sampling and analysis that needs to be done. The uncertainties of the calculations are reduced with more data. The user must balance the level of uncertainty of the calculations and the number of sample data they will use. - The automatic management of radiological data in short computing times allows for the execution of several scenarios in a reasonable time. Therefore, different radioactive waste and decommissioning hypotheses can be tested. For example, inventory and data can be split into two different set. One of them can be used for obtaining radiological inventory for early dismantling (3 years, as example) and the second one for deferred dismantling (25 years.) - The software supports the planning and implementation of decommissioning strategies for nuclear plants. For instance, several decontamination factors can be evaluated, assuming different level for decontamination of materials, and results for materials from several streams and use of different container types may be included in each evaluation. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Patch2Self2: Self-supervised Denoising on Coresets via Matrix Sketching

Diffusion MRI (dMRI) non-invasively maps brain white matter yet necessitates denoising due to low signal-to-noise ratios. Patch2Self (P2S) employing self-supervised techniques and regression on a Casorati matrix effectively denoises dMRI images and has become the new de-facto standard in this field. P2S however is resource intensive both in terms of running time and memory usage as it uses all voxels (n) from all-but-one held-in volumes (d-1) to learn a linear mapping Phi : \mathbb R ^ n x(d-1) \mapsto \mathbb R ^ n for denoising the held-out volume. The increasing size and dimensionality of higher resolution dMRI acquisitions can make P2S infeasible for large-scale analyses. This work exploits the redundancy imposed by P2S to alleviate its performance issues and inspect regions that influence the noise disproportionately. Specifically this study makes a three-fold contribution: (1) We present Patch2Self2 (P2S2) a method that uses matrix sketching to perform self-supervised denoising. By solving a sub-problem on a smaller sub-space so called coreset we show how P2S2 can yield a significant speedup in training time while using less memory. (2) We present a theoretical analysis of P2S2 focusing on determining the optimal sketch size through rank estimation a key step in achieving a balance between denoising accuracy and computational efficiency. (3) We show how the so-called statistical leverage scores can be used to interpret the denoising of dMRI data a process that was traditionally treated as a black-box. Experimental results on both simulated and real data affirm that P2S2 maintains denoising quality while significantly enhancing speed and memory efficiency achieved by training on a reduced data subset.

Fadnavis, Shreyas↗

Characterization and Damping Control of Mechanical Connections to Improve Performance of Horn Stripline

Magnetic focusing horns are critical components for creating a stable beam of neutrinos for neutrino facilities, such as the Long Baseline Neutrino Facility (LBNF) and the Neutrinos and Main Injector (NuMI) beam lines at Fermilab. The pulsed magnetic horns are powered by high current electricity through long striplines. In addition to requirements for low inductance and voltage standoff, the striplines must survive in a harsh radiation environment for the operational life of the component, specified as the 100 million pulses requirement for LBNF. Each stripline assembly consists of four (eight layers that splits off to 2 pairs of four layers at the horn interface) layers of Al 6101-T6. As an electromechanical system, the stripline layers are bolted together with ceramic isolators for electrical insulation and connections must facilitate passive cooling and mechanical stability. The striplines experience vibrational force in addition to clamping force, repetitive thermal and electro-magnetic loading. The holes of stripline plates for ceramic joints represent one of the weak links for potential failure [1,2]. By characterizing the contact behavior of these joints and optimizing their damping properties through finite element analysis and experimental modal analysis, stripline performance and longevity can be improved. This study not only helps predict the behavior of the striplines but also improves their performance to meet the required operational lifetime.

Liu, Zunping [Fermilab]↗

Battery Thermal Characterization

A well-designed thermal management system is critical to the life and performance of electric-drive vehicles (EDVs) hybrids (HEVs), plug-in hybrids (PHEVs), and all-electric vehicles (EVs). Temperature and temperature uniformity both significantly affect the performance, lifespan, and safety of vehicle energy storage devices. NREL conducts thermal management research and development (R&D) to optimize battery performance and extend useful life. A recognized leader in battery thermal analysis and characterization, NREL evaluates electrical and thermal performance of battery cells, modules, and packs, full energy storage systems, and the interaction of these systems with other vehicle components. The lab's performance assessments factor in the design of the thermal management system, the thermal behavior of the cell, battery lifespan, and safety of the energy storage system, as well as full integration into a vehicle. The lithium-ion (Li-ion) batteries found in most of today's electric-drive vehicles are smaller and more lightweight than previous nickel-metal hydride (NiMH) technology, but they are also more sensitive to overheating, overcharging, and extreme spikes in temperature known as thermal runaway. High temperatures diminish battery life and increase battery replacement costs, while low temperatures decrease battery power and capacity, all of which impact vehicle range, performance, and affordability. NREL's breakthrough research is focused on reducing thermal barriers to achieve more uniform temperatures. NREL uses its R&D 100 Award-winning Isothermal Battery Calorimeters, the only instruments in the world capable of such precise thermal measurements, for much of this research. Calorimeter readings are paired with thermal imaging of batteries using infrared cameras to evaluate battery temperature distribution. In addition, NREL is working with industry to develop computer-aided engineering software tools to optimize thermal management of batteries. NREL's analysis for the U.S. Advanced Battery Consortium (USABC) show that optimized thermal management can increase battery power by more than 10%. Without proper thermal management, an EDV battery can last more than 10 years in a temperate climate, like in Minnesota, but only 7 years in a hot climate, such as in Arizona. In extreme instances, battery overheating can pose safety hazards, including fires. Performance: Maintaining desired temperature ranges is critical in optimizing EDV battery storage capacity, lifespan, and performance, and eventually impacts cost and consumer acceptance. NREL's breakthrough research focuses on achieving more uniform temperatures while a vehicle is in motion and actively generating heat, as well as when it is parked and exposed to ambient temperatures over prolonged periods of time. Safety: Most energy storage systems deliver maximum performance at higher temperatures. However, this extreme heat can overload systems and create dangerous conditions. NREL evaluation helps to more effectively regulate thermal characteristics, providing greater safeguards and stronger performance. NREL has invented a device that emulates internal short circuits in batteries to better understand how to prevent future failures and related hazards.

25 ENERGY STORAGE↗

Autonomous phase mapping of gold nanoparticles synthesis with differentiable models of spectral shape

Autonomous experimentation–or self-driving labs–offers a systematic approach to accelerate materials discovery by integrating automated synthesis, characterization, and data-driven decision-making. We present a closed-loop workflow for the on-demand synthesis and structural characterization of colloidal gold nanoparticles, enabling direct mapping from composition to nanoscale structure. Our framework leverages differentiable models of spectral shape to address two central tasks in self-driving labs: (a) phase mapping, or identifying compositional regions with distinct structural behavior; and (b) material retrosynthesis, or optimizing compositions for target structure. Using functional data analysis, we develop a data-driven model with generative pre-training, active learning, and high-throughput experiments to predict spectral responses across composition space. We demonstrate the approach on seed-mediated growth of gold nanoparticles, showcasing its ability to extract design rules, reveal secondary interactions, and efficiently navigate morphology space. Gradient-based optimization of the models enables inverse design, making this a unified platform.

36 MATERIALS SCIENCE↗

Data for High Yield Production of 3-Hydroxypropionic Acid Using Issatchenkia orientalis

Biomanufacturing provides a more sustainable alternative to fossil-based chemical manufacturing. 3-Hydroxypropionic acid (3HP) is a top Department of Energy value-added chemical and precursor to bioplastics, yet cost-effective microbial production remains elusive. Here, we establish the acid-tolerant yeast Issatchenkia orientalis as a robust host for low-pH 3HP biosynthesis. Genome-scale modeling identifies the β-alanine pathway as optimal, offering the highest theoretical yield and lowest oxygen requirement. Thermodynamic analysis confirms its favorability under acidic conditions. Using sequence similarity network analysis, we discover highly active aspartate 1-decarboxylase (PAND), β-alanine-pyruvate aminotransferase (BAPAT), and 3HP dehydrogenase (YDFG), which significantly improve the pathway efficiency. Next, to further elevate the production, pathway optimization through multi-copy PAND integration, byproduct elimination (knockouts of pyruvate decarboxylase and glycerol-3-phosphate dehydrogenase), and reinforcement of aspartate flux by overexpression of pyruvate carboxylase and aspartate amino transferase improves the titer to 29 g/L in shake flasks. Fed-batch fermentation at pH 4 with low-cost corn steep liquor medium further increases the production to 92 g/L with 0.7 g/g yield and 0.55 g/L/h productivity. Techno-economic analysis indicates that such performance could potentially enable a financially viable process for sustainable acrylic acid production. This work establishes I. orientalis as a next-generation platform for cost-effective 3HP production and paves the way toward industrial commercialization.

Bioproducts↗