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DOE OSTI2023

Superstrong, Low-Cost Wood for Lightweight Vehicles

The research conducted in this project significantly contributes to the understanding of super wood manufacturing and its potential applications. By developing and optimizing the manufacturing process, we have advanced the knowledge in creating high-performance wood-based materials with enhanced properties. The investigation of lignin transport properties under various conditions provides valuable insights into the behavior of this crucial component in wood and helps us better comprehend the underlying mechanisms involved. This knowledge contributes to the development of more efficient and sustainable methods for producing super wood. The methods and techniques investigated in this project have demonstrated both technical effectiveness and economic feasibility. Through the development of Gen0, Gen1, and Gen2 processes, we have achieved successful manufacturing of super wood with improved properties.

36 MATERIALS SCIENCE↗

DOE OSTI2023

In Cell Thermal Creep Frames for Demonstration Project Preparations

The thrust of advanced nuclear reactor demonstrations demands the accelerated qualification of in-core materials to enable licensing processes and developing the performance data. Due to the high-operating temperatures of such reactors, long-term mechanical behavior under constant load is essential to determine the geometrical and mechanical integrity of in-core components during operation and off-normal conditions. Therefore, the thermal creep behavior of neutron-irradiated advanced reactor materials must be determined. The feasibility of using subsize specimens for the irradiation campaigns and the limited available infrastructure challenge the assessment of thermal creep behavior of advanced reactor materials. Therefore, the U.S. Department of Energy Office of Nuclear Energy (DOE-NE) National Reactor Innovation Center (NRIC) prioritizes the development of a thermal creep testing infrastructure for multiple subsize specimens to accelerate the demonstration and deployment of advanced reactor concepts. This report describes the activities for the construction of a thermal creep testing capability at Idaho National Laboratory (INL). The overall project consists of conceptual design, out-of-cell demonstration, and in-cell demonstration phases. During fiscal year (FY)-2021, the team finished the conceptual design of a thermal creep test facility that can test multiple subsize specimens. This conceptual design consisted of the determination of technical and functional requirements, the determination of the design space, and the preparation of the technical drawings. Technical and functional requirements were categorized as required and desired capabilities and the conceptual design was performed to meet all the required capabilities with the flexibility to achieve the desired capabilities. The design space identified the operational capacity of the creep frame for different advanced reactor relevant materials with the consideration of the feasible operation in the hotcell at the Fuels and Applied Science Building (FASB) at INL. Based on the requirements and design space, the multiple specimen creep frame was designed. The official INL engineering drawing process was started and the procurement of materials for construction was initiated. For FY-2022, the out-of-cell demonstration and final installation of the multiple creep frame is planned.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Surface 3D Electrical Resistivity Tomography Inversion of 2005 BC Cribs and Trenches Datasets

Hydrogeophysics, Inc. (HGI) conducted an electrical resistivity tomography (ERT) dataset at the BC Cribs and Trenches site, located in the Central Plateau of the Hanford Site. The 20 trenches and 6 cribs received large volumes of liquid inorganic waste in the 1950s, resulting in a large inventory of contaminants in the vadose zone. The objective of the ERT survey was to map plume extents resulting from the legacy discharges. The HGI interpretation of the resistivity data was performed using geometric inversion to interpolate 2D lines into a 3D image. To demonstrate a newly developed geophysical code capability (E4D), the resistivity data were re-processed to fit a full 3D model of the bulk electrical conductivity. This proof-of-concept model inversion was executed in calendar year 2011, as the large dataset was well-suited for the use of high-performance computing. The 3D re-processing of the BC Cribs and Trenches ERT data conducted in 2011 resolved the true bulk electrical conductivity. This means that all of the resistivity data were fit to a single model of the bulk electrical conductivity, with true horizontal and vertical dimensions. This differed from the HGI data interpretation approach that used geometric inversion to process 2D lines independently, which were then interpolated into a 3D image. Both the full 3D re-processing and the 2D interpolation to a 3D image demonstrated a higher electrical conductivity observed immediately beneath the trenches and cribs. The electrical conductivity is strongly correlated with nitrate concentrations, indicating the presence of nitrate and other co-located contaminants.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

Nanocrystal‐Enabled Perovskite Heterojunctions in Photovoltaic Applications and Beyond

Abstract Heterojunctions are used to tailor the properties of semiconductors in optoelectronic devices, yet for emerging devices composed of metal halide perovskites, fabricating perovskite/perovskite heterojunctions has proved challenging due to solvent incompatibilities and rapid homogenization due to ion migration. Recent studies have demonstrated various strategies for using perovskite nanocrystals as a component to fabricate perovskite/perovskite heterojunctions, either with a perovskite thin film or a second nanocrystal layer. Heterojunctions such as these can impart many advantages of both bulk and nanocrystalline perovskite morphologies. This perspective focuses on recent developments of solution‐processed perovskite heterojunctions for solar cells and novel optoelectronic devices, in particular, highlighting the demonstrated and potential advantages of nanocrystal‐enabled fabrication strategies. A central tenet of this perspective is that the synthesis and dispersion of perovskite nanocrystals in non‐polar organic solvents offers a key processing advantage over traditional perovskite precursor solutions in polar solvents since the former allows for layer‐by‐layer deposition without dissolving an underlying perovskite film or crystal. This processing advantage, coupled with nanocrystal size control and ligand chemistry, enables perovskite heterojunctions with highly tunable optical and electrical properties. Such heterojunctions may enable disruptive technological advances in broad classes of devices such as solar cells, photodetectors, sensors, and (in)coherent photon sources with tunable polarization.

14 SOLAR ENERGY↗

DOE OSTI2026

Methods development towards automated, physics-informed, quantitative quality control of TRISO-SiC

Tristructural-isotropic (TRISO) fuel particles have been developed as a high-performance fuel for use in high-temperature gas-cooled reactor (HTGR) systems due to their high efficiency and stability under both normal and off-normal conditions. Broader deployment of this technology in advanced nuclear applications may benefit from quantitative quality assurance and quality control (QA/QC) methods that directly link TRISO properties to downstream performance. A key TRISO property is the SiC layer microstructure, which influences fission product retention during irradiation. However, existing QA/QC for the TRISO-SiC microstructure comprises only a qualitative visual inspection; therefore, there is a clear opportunity for the development of quantitative methods for TRISO QA/QC. Here, to this end, previous work has demonstrated an image processing approach to grain boundary (GB) identification and subsequent extraction of microstructural metrics; however, extensive twinning within the SiC layer complicates such analyses because twin GBs significantly influence microstructural metrics but are not expected to contribute to fission product transport. This study presents the initial development, training, and testing of an ML-based image segmentation algorithm designed to identify and remove twin GBs from standard backscattered electron micrographs, providing an industrially applicable, quantitative, and physically meaningful QA/QC approach for the TRISO-SiC microstructure. Although pixel-wise performance metrics for the twin predictions are low, the change in grain area and the number of GB pixels after twin removal predicted by the ML workflow are within 1% of the true values calculated using crystallographic data. This suggests that the model is well capable of predicting overall twin boundary structures and grain morphology, and continued advancement of this approach could enable automated, scalable, and physics-informed QA/QC for TRISO-SiC microstructures, supporting the reliable qualification of coated particle fuels for next-generation reactor systems.

Computer vision↗

DOE OSTI2024

Aqueous-phase product treatment and monetization options of wet waste hydrothermal liquefaction: Comprehensive techno-economic and life-cycle GHG emission assessment unveiling research opportunities

While wet waste hydrothermal liquefaction technology has a high biofuel yield, a significant amount of the carbon and nitrogen in the feedstock reports to the aqueous-phase product. Pretreatment of this stream before sending to a conventional wastewater plant is essential or at the very least, advisable. In this work, techno-economic and life-cycle assessments were conducted for the state-of-technology baseline and four aqueous-phase product treatment and monetization options based on experimental data. Further, these options can cut minimum fuel selling prices by up to 13 % and life-cycle greenhouse gas emissions by up to 39 % compared to the baseline. These findings highlight the substantial influence of aqueous produce treatment strategies on the entire wet waste hydrothermal liquefaction process, demonstrating the potential for optimizing economic viability and environmental impact through further research and development of milder treatment methods and diversified by-product valorization pathways.

09 BIOMASS FUELS↗

DOE OSTI2021

Electronic Conductivity of Nanoporous Indium Oxide Derived from Sequential Infiltration Synthesis

Sequential infiltration synthesis (SIS) is a vapor phase synthetic method that enables the selective nucleation and growth of metal oxides within polymer volumes. The expanding palette of SIS materials and process designs enables tunability of the resulting material properties. We derive porous indium oxide thin films from the SIS of indium oxide using trimethyl indium and H 2 O 2 in polymethyl methacrylate films and observe the strong effect of SIS and post-deposition processing, which affords 7 orders of magnitude of tunability in electrical resistivity. While as-deposited hybrid nanocomposites show no measurable conductivity, high-temperature treatment in O 2 removes the polymer matrix and creates a porous nanocrystalline In 2 O 3 film with resistivities ranging from 10 3 to 10 5 Ω*cm, with lower resistivity correlated to larger grain sizes. Subsequent annealing in H 2 decreases the resistivity of films to less than 10 –2 Ω*cm. A clear correlation between increasing In 2 O 3 volume fraction, grain size, and carrier mobility is observed, which arises from increased percolation pathways, path length, and contact area in nanocrystalline In 2 O 3 films. Furthermore, this wide tunability demonstrates the importance of understanding growth mechanisms and processing conditions for functional materials development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

The Roles of Tidal Marshes in the Estuarine Biochemical Processes: A Numerical Modeling Study

Observations suggest that the existence of tidal marsh can alter the oxygen and nutrient dynamics in adjacent water bodies, but assessing the impacts of large tidal marshes on an estuary is challenging. In this study, we use a modeling approach to investigate the roles of tidal marshes on the estuarine biochemical processes. The marsh model, which simulates the ecological functions of marshes at seasonal and annual time-scales, is embedded inside an unstructured-grid three-dimensional hydrodynamic and eutrophication model (SCHISM-ICM). This modeling system simulates the growth and metabolism of the tidal marshes and links biological processes to nutrient dynamics in the water column and sediment. This model dynamically simulates nutrient recycling and physical transport of the materials between marshes and open water through wetting-drying processes. This coupled model system is validated and successfully applied to the York River Estuary. Model results suggest that tidal marshes influence the local diurnal dissolved oxygen (DO) cycle by exporting dissolved organic carbon and high sediment oxygen demand in the marsh system through the tidal exchange. The high deposition rates of organics and diurnal DO cycle enhance the sediment release of phosphorus. On the other hand, marshes tend to decrease dissolved inorganic nitrogen in the water column by settling particulate nutrients and enhancing the denitrification process. The study demonstrates that tidal marshes exert substantial impacts on the estuarine biochemical processes. The developed tidal marsh model enhances eutrophication modeling and advances the understanding of the feedback effects between marsh biogeochemistry and estuarine eutrophication processes on a systemic scale.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Demand Driven Cycamore Archetypes

Future nuclear fuel cycle options may present advantages over today’s once-through fuel cycle. Nuclear fuel cycle simulation tools assess the performance of those fuel cycles as well as the dynamics of long-term technology transitions. In many nuclear fuel cycle simulation tools, it has historically been the responsibility of the user to manually define facility deployment schemes and all facility parameters. While this is straightforward in simple fuel cycles, transitions from one fuel cycle to another can be more complex. In particular, deployment schemes for supportive fuel cycle facilities beyond the reactor become complex if the analyst desires to avoid gaps in the nuclear fuel and power supply chain during those transition scenarios. As nuclear fuel cycle analysis approaches questions regarding the feasibility and performance of the deployment schemes and technology choices during technology transition, automation of this historically manual process is necessary. The main objective of this work was to develop and demonstrate Cyclus automation capabilities toward key nuclear fuel cycle transition scenarios. While deploying reactors to meet power demand is trivial, and existed in the earliest versions of CYCLUS, automated, predictive deployment and decommissioning of other facilities is more complex. These include mining, milling, enrichment, fuel fabrication, reprocessing, and others. For example, a balanced closed fuel cycle may require ensuring that there is enough fast reactor fuel for their operation and may drive deployment of a fleet of light water reactors. This concern comprises the main challenge that drove the project effort. The Demand-Driven Cycamore Archetype project (NEUP-FY16-10512) aimed to develop CYCAMORE demand-driven deployment capabilities and thereby automate transition scenario definition. The developed software package, d3ploy, in the form of a CYCLUS Institution agent, deploys Facilities to meet the front-end and back-end demands of the fuel cycle. The University of South Carolina and the University of Illinois applied multiple algorithmic approaches to this challenge. This project developed an in situ demand-driven development schedule calculation through non-optimizing, deterministic-optimizing, and stochastic-optimizing algorithms as CYCLUS archetypes and demonstrated these new archetypes in program-supporting fuel cycle transition scenarios. Both objectives were achieved. This report documents the results and deliverables obtained toward these achievements in detail.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Hybrid Quantum Networks with Discrete Polarizations and Continuous Quadrature Variables

Final Scientific/Technical Report for DOE Project DE-SC0022069. Quantum communication and computation systems have evolved along two largely independent paradigms: discrete-variable (DV) systems that encode information in qubits such as photon polarizations or photon-number states, and continuous-variable (CV) systems that encode information in optical field quadratures. Each approach offers distinct advantages—DVs provide low error rates and compatibility with single-photon platforms, while CVs support deterministic operations and efficient quantum state manipulation. A fundamental challenge for building a scalable Quantum Internet lies in interfacing these two regimes into a unified hybrid architecture that can coherently distribute and process quantum information across heterogeneous quantum nodes. This project aims to develop and demonstrate a hybrid optical quantum network that seamlessly integrates DV and CV systems. Specifically, we investigate a new class of hybrid entanglement between the discrete polarizations of single photons and the continuous quadrature variables of optical cat states, overcoming incompatibilities in existing DV–CV demonstrations. Using this new entanglement resource, the team investigates a multi-node hybrid quantum local area network (Q-LAN) testbed capable of DV–CV entanglement generation, swapping, and distribution across fiber links.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2025

Laser Powder Directed Energy Deposition of Steels for Nuclear Applications

This comprehensive investigation examines the structure–property relationships in two nuclear alloy systems—Alloy 709 (A709) austenitic stainless steel and Grade 92 (G-92) ferritic/martensitic (F/M) steel—manufactured via directed energy deposition (DED) for sodium-cooled fast reactor applications. This study establishes the fundamental mechanisms for controlling microstructures for optimizing the mechanical performance of additively manufactured nuclear materials through systematic heat treatment optimization and multiscale characterization. As-deposited A709 steel develops a complex multiscale strengthening architecture consisting of a fine cellular solidification structure with diameter of 2-3 µm within10–50 µm grains, elevated dislocation densities from rapid thermal cycling, and grain boundary precipitates that activate concurrent Hall–Petch, dislocation, and precipitation hardening mechanisms to achieve exceptional properties [yield strength (YS): 603 MPa, ultimate tensile strength (UTS): 844 MPa, Vickers hardness: 220 HV] that achieve a 44% superior strength compared to that of the wrought material. Heat treatments produce different results. Solution annealing (SA) dissolves the cellular structure and reduces the hardness to 190 HV. Precipitation treatment (PT) keeps the cellular structure but adds carbides, allowing the hardness to reach 205 HV. The best approach combines both treatments (SA+PT) and creates uniform precipitate distributions with M 23 C 6 carbides at the grain boundaries and MX carbonitrides in the matrix, achieving a hardness of 195 HV. However, directional differences persist, with a 12%–15% strength variation between orientations due to the inherited layered microstructural architecture that survives aggressive heat treatment. While tensile testing at 550°C demonstrates 40%–50% thermal softening with dynamic strain aging, DED A709 steel still maintains a 71% higher YS than that of the wrought material. Ion irradiation studies (100–400 dpa) of DED A709 steel reveal progressive radiation damage with increasing void density and radiation-induced segregation causing nickel enrichment and chromium depletion, which will ultimately compromise mechanical properties. As-deposited G-92 exhibits exceptional strength (UTS: 1650–1700 MPa, 430 HV) through a complex microstructure containing both ferrite and martensite phases, a high geometrically necessary dislocation (GND) density (17.04×10 14 /m 2 ), and fine carbides. Heat treatments create distinct changes. Normalizing produces fresh martensite with the highest hardness (460 HV) and an increased GND density (20.23×10 14 /m 2 ). Tempering develops dual precipitation systems and reduces the hardness to 290 HV. The optimal approach uses sequential normalizing plus tempering, achieving balanced properties with the lowest hardness (250 HV) and a reduced GND density (11.01×10 14 /m 2 ). A processing-dependent anisotropy is observed: horizontal specimens achieve superior ductile behavior, while vertical specimens exhibit brittle failure. A tempering heat treatment successfully mitigates this anisotropic behavior by transforming the hard martensitic as-deposited structure into tempered martensite enabling both horizontal and vertical specimens to exhibit similar stress–strain characteristics with visible necking behavior. Remarkably, testing at 550°C reveals a reversal in the anisotropy, where as-deposited specimens achieve near isotropy with superior thermal stability (a 15%–20% strength reduction), while tempered specimens develop an orientation dependence with a 25%–30% strength reduction. Both alloy systems demonstrate that DED processing creates specimens with a superior strength through refined microstructural features, though with distinct strengthening mechanisms—austenitic through cellular structures and precipitates versus F/M through phase transformations and precipitates. Heat treatment optimization requires alloy-specific approaches, with A709 benefiting from controlled precipitation while G-92 requires careful phase transformation control. The results show that DED manufacturing can produce nuclear materials with exceptional performance, but directional effects and temperature-dependent behavior must be carefully considered for reactor component design and qualification.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Dilute Alloys Based on Au, Ag, or Cu for Efficient Catalysis: From Synthesis to Active Sites

The development of new catalyst materials for energy-efficient chemical synthesis is critical as over 80% of industrial processes rely on catalysts, with many of the most energy-intensive processes specifically using heterogeneous catalysis. Catalytic performance is a complex interplay of phenomena involving temperature, pressure, gas composition, surface composition and structure over multiple length and time scales. In response to this complexity, the integrated approach to heterogeneous dilute-alloy catalysis reviewed here brings together materials synthesis, mechanistic surface chemistry, reaction kinetics, in-situ and operando characterization, and theoretical calculations in a coordinated effort to develop design principles to predict and improve catalytic selectivity. Dilute alloy catalysts—in which isolated atoms or small ensembles of the minority metal on the host metal lead to enhanced reactivity while retaining selectivity—are particularly promising as selective catalysts. Several dilute alloy materials using Au, Ag and Cu as the majority host element, including more recently introduced support-free nanoporous metals and oxide-supported nanoparticle "raspberry colloid templated (RCT)" materials, are reviewed for selective oxidation and hydrogenation reactions. Progress in understanding how such dilute alloy catalysts can be used to enhance selectivity of key synthetic reactions is reviewed, including quantitative scaling from model studies to catalytic conditions. The dynamic evolution of catalyst structure and composition studied in surface science and catalytic conditions and their relationship to catalytic function are also discussed, followed by advanced characterization and theoretical modeling that have been developed to determine the distribution of minority metal atoms at or near the surface. Furthermore, the integrated approach demonstrates the success of bridging the divide between fundamental knowledge and design of catalytic processes in complex catalytic systems, which can accelerate the development of new and efficient catalytic processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

National Reactor Innovation Center NRC Early Site Permit Roadmap

The National Reactor Innovation Center (NRIC) at Idaho National Laboratory (INL) in Idaho Falls, Idaho, was authorized under the Nuclear Energy Innovation Capabilities Act (Public Law 115–248) to provide private sector technology developers with resources and infrastructure for testing, demonstration, and performance assessment to accelerate deployment of new advanced reactor technology concepts. NRIC’s mission is to enable clean, affordable, reliable energy by supporting U.S. government investments in nuclear energy research, development, demonstration, and commercialization of new nuclear energy systems. It intends to provide existing facilities and other undeveloped and previously developed sites at INL to advanced reactor vendors for prototype technology testing and deployment. Some of these demonstration projects may be subject to DOE authorization, while other projects may require approval by the U.S. Nuclear Regulatory Commission (NRC) prior to construction and operation. NRIC and INL are considering whether to pursue one or more ESPs to help facilitate new reactor deployment at the INL Site. An ESP would allow early investment in licensing infrastructure in advance of a reactor design being ready to deploy. Through the ESPs, NRIC would help reduce the cost and time required to deploy demonstration reactors at the INL Site. This also will allow INL to bring its nuclear and siting experience to the ESP development process allowing for better and more efficient improvements and utilization of the Site. A preapproved ESP at INL will also remove the uncertainty of NRC siting approvals from the demonstration project proponents, who may not be well positioned to complete the analyses in a timely manner. The purpose of this NRIC ESP roadmap is to provide rigor and understanding needed for INL and DOE decision-makers to make data-informed decisions on pursuing NRC ESPs in support of future advanced reactor demonstrations at INL. The roadmap provides a structured method for addressing potential challenges and identifying options for resolution.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

National Reactor Innovation Center NRC Early Site Permit Roadmap

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Production and Catalytic Upgrading of 2,3-Butanediol Fermentation Broth into Sustainable Aviation Fuel Blendstock and Fuel Properties Measurement

With the increasing demand for sustainable supplies of aviation fuel and need to address climate change, new conversion technologies are needed to efficiently process biomass, produce high quality jet fuel blendstock, and meet carbon emission targets. This study demonstrates the synthesis, conditioning, and catalytic upgrading of 2,3-butanediol (BDO) fermentation broth into a jet fuel blendstock candidate. A high-titer 2,3-BDO fermentation broth (i.e., ~90 g/L) was produced at a 100-L scale and pretreated via nanofiltration to decrease the impurities level in the broth from 4.6 to 0.6 wt%. A novel process for catalytic upgrading of aqueous 2,3-BDO into a jet fuel blendstock candidate was developed, and each step was efficiently demonstrated. The catalytic steps include 1) 2,3-BDO dehydration into methyl ethyl ketone (MEK) over AlPO4, 2) MEK conversion into olefins over Zn1Zr10Ox, 3) oligomerization of olefins over a zeolite beta, and 4) hydrogenation over platinum/carbon. Both the model feed and real 2,3-BDO fermentation broth were tested for upgrading 2,3-BDO to MEK. With the real feed, a continuous loss of conversion (i.e., >50% loss over ~140 h time-on-stream [TOS]) was partly attributed to reversible deactivation from coking species. However, the conversion remained stable with the model feed, which demonstrates the efficiency of the first step for converting aqueous 2,3-BDO (10 wt% in water). For upgrading MEK to olefins, high selectivity to olefins (i.e., 82.5%) was obtained at high conversion levels (i.e., 93-98%) with stable conditions being achieved for > 70-hours TOS. Oligomerization of light olefins, which was demonstrated for > 270 h TOS, mainly led to the formation of dimers (C8-10) and trimers (C13-14). The oligomerized product was hydrogenated and distilled to recover the jet fraction (35 mass% or 40.9% carbon based yield), which consists mostly of desired isoalkanes (31.7 wt%), n-alkanes (24.5 wt%), and cycloalkanes (29.6 wt%). While some improvement is still needed to meet ASTM D7566 specifications for viscosity and final boiling point temperature, freezing point, density, aromatics content, and sulfur content of the jet blendstock candidate were within acceptable ranges, thus highlighting the potential of this process for production of jet fuel blendstock.

ADVANCED PROPULSION SYSTEMS,BIOMASS FUELS↗

DOE OSTI2023

Intensified Catalytic Conversion of CO2 into High Value Chemicals

The utilization of CO2 produced from power generation plants as a feedstock for creating new valuable products offers a strategy to reduce GHG emissions, offset carbon capture costs, and facilitate the rebalancing of the carbon cycle. After considering the thermodynamic requirement of potential products from CO2 utilization and their market size, formic acid is a desirable target that offers widespread utility in industrial chemical production and chemical energy storage as a liquid fuel. To effectively utilize CO2 from power generation plants, UK proposes an enhanced bimetallic oxide carbon utilization process (EBOCU) that enables electrochemical CO2 conversion to formic acid. The UK intensified electrocatalytic process combines three main components: 1) a novel bimetallic oxide electrocatalyst; 2) a stable electrochemical reactor using robust electrodes; and 3) a pressurized electrochemical reactor. The output from this project showed the economic viability of producing high-value formic acid from CO2 to both offset the cost associated with post-combustion CCS and reduce GHG emissions. This project developed and screened a series engineered catalysts to selectively reduce CO2 directly to formic acid. The best performing catalyst based on formic acid production, stability, and Faradaic efficiency, was immobilized on carbon electrodes, and tested inside a flow through reactor. After lab-scale testing was completed, the experimental data was used to perform a Life-Cycle Analysis (LCA) and conduct an Initial Technical and Economic Feasibility Study. The LCA showed a pathway to a net negative CO2 utilization process with the incorporation of renewable energy, while the TEA showed the potential to produce formic acid below the current commercial price. The UK EBOCU process was successfully demonstrated at the TRL3 level and has a clear pathway to further development and contribution to the nation’s ambitious decarbonization goals.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2023

Robust production of monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the C H 1-C λ interface

Bispecific antibodies represent an increasingly large fraction of biologics in therapeutic development due to their expanded scope in functional capabilities. Asymmetric monovalent bispecific IgGs (bsIgGs) have the additional advantage of maintaining a native antibody-like structure, which can provide favorable pharmacology and pharmacokinetic profiles. The production of correctly assembled asymmetric monovalent bsIgGs, however, is a complex engineering endeavor due to the propensity for non-cognate heavy and light chains to mis-pair. Previously, we introduced the DuetMab platform as a general solution for the production of bsIgGs, which utilizes an engineered interchain disulfide bond in one of the C H 1-C L domains to promote orthogonal chain pairing between heavy and light chains. While highly effective in promoting cognate heavy and light chain pairing, residual chain mispairing could be detected for specific combinations of Fv pairs. Here, we present enhancements to the DuetMab design that improve chain pairing and production through the introduction of novel electrostatic steering mutations at the C H 1-C L interface with lambda light chains (C H 1-C λ ). These mutations work together with previously established charge-pair mutations at the C H 1-C L interface with kappa light chains (C H 1-C κ ) and Fab disulfide engineering to promote cognate heavy and light chain pairing and enable the reliable production of bsIgGs. Importantly, these enhanced DuetMabs do not require engineering of the variable domains and are robust when applied to a panel of bsIgGs with diverse Fv sequences. We present a comprehensive biochemical, biophysical, and functional characterization of the resulting DuetMabs to demonstrate compatibility with industrial production benchmarks. Overall, this enhanced DuetMab platform substantially streamlines process development of these disruptive biotherapeutics.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

An integrated data management and informatics framework for continuous drug product manufacturing processes: A case study on two pilot plants

The pharmaceutical industry continuously looks for ways to improve its development and manufacturing efficiency. In recent years, such efforts have been driven by the transition from batch to continuous manufacturing and digitalization in process development. To facilitate this transition, integrated data management and informatics tools need to be developed and implemented within the framework of Industry 4.0 technology. Here, in this regard, the work aims to guide the data integration development of continuous pharmaceutical manufacturing processes under the Industry 4.0 framework, improving digital maturity and enabling the development of digital twins. This paper demonstrates two instances where a data integration framework has been successfully employed in academic continuous pharmaceutical manufacturing pilot plants. Details of the integration structure and information flows are comprehensively showcased. Approaches to mitigate concerns in incorporating complex data streams, including integrating multiple process analytical technology tools and legacy equipment, connecting cloud data and simulation models, and safeguarding cyber-physical security, are discussed. Critical challenges and opportunities for practical considerations are highlighted.

59 BASIC BIOLOGICAL SCIENCES↗