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DOE OSTI2026

A unifying equation for fermentation sustainability across the titer-rate-yield landscape

Industrial fermentation is central to the sustainable production of fuels and chemicals, yet commercial viability of emerging technologies hinges on improving fermentation titer, rate, and yield (TRY). How these metrics shape system cost remains difficult to generalize due to complex interactions among feedstocks, fermentation, separations, catalytic upgrading, waste management, and facility design. Here, we systematically map theoretical fermentation performance spaces (formed by all potential TRY combinations) for 32 representative biomanufacturing facilities—spanning distinct choices for feedstocks, fermentation regimes and products, separations, and catalytic upgrading—by simulating and evaluating them (via techno-economic analysis, TEA) under uncertainty (600,000 Monte Carlo simulations) and across TRY combinations (7500 TRY combinations for each of 32 configurations). Across this wide design and thermodynamic simulation space, we find the relationship between fermentation TRY and system cost is captured by a simple, generalizable mathematical equation (R 2 of 0.992 − 1.000 across our simulations; 0.954 − 1.000 when validated against prior studies that used different tools). We use this equation to elucidate key drivers that shape cost sensitivity to fermentation performance, generating widely applicable insights. By demonstrating a unifying relationship governs the impact of fermentation on biomanufacturing economics, this work establishes a foundation for agile, holistically predictive, resource-efficient strategies to prioritize fermentation research and development needs and accelerate commercialization of emerging biomanufacturing technologies.

applied mathematics↗

DOE OSTI2023

Population Subdivision in the Gopher Frog (Rana capito) across the Fragmented Longleaf Pine-Wiregrass Savanna of the Southeastern USA

Delineating genetically distinct population segments of threatened species and quantifying population connectivity are important steps in developing effective conservation and management strategies aimed at preventing extinction. The gopher frog (Rana capito) is a xeric-adapted, pond-breeding species endemic to the Gulf and Atlantic coastal plains of the southeastern United States. This species has experienced extensive habitat loss and fragmentation in the formerly widespread longleaf pine-wiregrass savanna where it lives, resulting in individual abundance declines and population extinctions throughout its range. We used individual-based clustering methods along with Bayesian inference of historical migration based on almost 1500 multilocus microsatellite genotypes to examine genetic structure in this taxon. Clustering analyses identified panhandle and peninsular populations in Florida as distinct genetic clusters separated by the Aucilla River, consistent with the division between the Coastal Plain and peninsular mitochondrial lineages, respectively. Analysis of historical migration indicated an east–west population divergence event followed by immigration to the east. Together, our results indicate that the genetically distinct Coastal Plain and peninsular Florida lineages should be considered separately for conservation and management purposes.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Which Plant Traits Increase Soil Carbon Sequestration? Empirical Evidence From a Long‐Term Poplar Genetic Diversity Trial

Plants play a key role in mediating soil response to global change, and breeding or engineering crops to increase soil organic carbon (SOC) storage is a potential route to land-based carbon dioxide removal in agricultural systems. However, due to limited observational datasets plus shifting paradigms of SOC stabilization, it is unclear which plant traits are most important for enhancing different types of soil organic matter. Existing long-term common gardens of genetically diverse plant populations may provide an opportunity to evaluate biological controls on SOC, separate from environmental or management variability. Here we report on soil and root chemical data collected for 24 genotypes within a 13-year-old common garden in northwestern Oregon planted with a large natural variant population of Populus trichocarpa. Fractionating surface soil (0–15 cm) revealed substantial variation in stocks of mineral-associated organic matter (MAOM; 18–67 t C/ha) and particulate organic matter (POM; 2–22 t C/ha). Tree genotype explained 24% and 26% of the MAOM and POM stock variability, respectively, after controlling for background variability. We found minimal association between SOC concentration and either aboveground tree productivity or root biomass recalcitrance (C/N ratios and lignin content). In contrast, root elemental content appeared influential for MAOM-C concentration, which showed a strong positive association with root aluminum (Al) and a strong negative association with root boron (B) and magnesium (Mg). Furthermore, root concentrations of these elements were highly heritable (57%–78%) and not simply a reflection of background variation in soil elemental concentrations. We estimate that surface SOC stocks under these 24 genotypes have diverged at rates of up to 1.2–4.3 t C/ha/year. These results suggest that long-term genetic diversity trials have value for elucidating biological controls on soil organic matter dynamics, and that traits associated with root elemental content may be a useful target for enhancing biosequestration.

biomass recalcitrance↗

DOE OSTI2020

Environmental Monitoring Report, Calendar year 2020. Knolls Laboratory and Kesselring Site

The results of the effluent and environmental monitoring programs at the Knolls Laboratory and Kesselring Site are summarized and assessed in this report. Tables 1 - 4 summarize the major elements of the environmental monitoring programs at each site. Information regarding the U.S. Department of Energy – Office of Environmental Management (DOE-EM) Separations Process Research Unit (SPRU) Disposition Project (SPRU DP), is also included in this report; however, the project was completed in 2020 and will no longer be reported in subsequent reports. DOE-EM will be continuing to perform other Decontamination & Decommissioning (D&D) work at Knolls Laboratory and Kesselring Site, which may require environmental monitoring, and will be included in this report, as warranted. Operations at the Knolls Laboratory, which includes SPRU and other DOE-EM activities, and the Kesselring Site continue to have no adverse effect on human health and the quality of the environment.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Knolls Laboratory and Kesselring Site Environmental Monitoring Report (CY2019)

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

AEPF: Attention-Enabled Point Fusion for 3D Object Detection

Current state-of-the-art (SOTA) LiDAR-only detectors perform well for 3D object detection tasks, but point cloud data are typically sparse and lacks semantic information. Detailed semantic information obtained from camera images can be added with existing LiDAR-based detectors to create a robust 3D detection pipeline. With two different data types, a major challenge in developing multi-modal sensor fusion networks is to achieve effective data fusion while managing computational resources. With separate 2D and 3D feature extraction backbones, feature fusion can become more challenging as these modes generate different gradients, leading to gradient conflicts and suboptimal convergence during network optimization. To this end, we propose a 3D object detection method, Attention-Enabled Point Fusion (AEPF). AEPF uses images and voxelized point cloud data as inputs and estimates the 3D bounding boxes of object locations as outputs. An attention mechanism is introduced to an existing feature fusion strategy to improve 3D detection accuracy and two variants are proposed. These two variants, AEPF-Small and AEPF-Large, address different needs. AEPF-Small, with a lightweight attention module and fewer parameters, offers fast inference. AEPF-Large, with a more complex attention module and increased parameters, provides higher accuracy than baseline models. Experimental results on the KITTI validation set show that AEPF-Small maintains SOTA 3D detection accuracy while inferencing at higher speeds. AEPF-Large achieves mean average precision scores of 91.13, 79.06, and 76.15 for the car class’s easy, medium, and hard targets, respectively, in the KITTI validation set. Results from ablation experiments are also presented to support the choice of model architecture.

Chemistry↗

DOE OSTI2021

Hydrologic Data for the Groundwater Flow and Contaminant Transport Model of Corrective Action Units 101 and 102: Central and Western Pahute Mesa, Nye County, Nevada, Revision 1

This hydrologic data document (HDD) has been prepared for Corrective Action Units (CAUs) 101 and 102, Central and Western Pahute Mesa, in order to support the development of a groundwater flow and contaminant transport model. Central and Western Pahute Mesa are two of the five CAUs on the Nevada National Security Site (NNSS) (formerly the Nevada Test Site [NTS]) used for underground nuclear testing (Figure 1-1). The nuclear tests resulted in groundwater contamination in the vicinity of the underground test areas. As a result, the U.S. Department of Energy (DOE), Environmental Management (EM) Nevada Program is currently conducting a corrective action investigation (CAI) of the Pahute Mesa underground test areas. This work is a part of the Underground Test Area (UGTA) Activity in accordance with the Federal Facility Agreement and Consent Order (FFACO) (1996, as amended). The CAU groundwater flow and transport model is composed of two pieces, a flow model and a transport model, that together provide the contaminant boundary forecasts required by the FFACO. The hydrologic data necessary for the flow model portion of the CAU model are presented in this report. The transport data necessary for the transport model portion of the CAU model will be provided in a separate report.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

An empirical study of I/O separation for burst buffers in HPC systems

To meet the exascale I/O requirements for the High-Performance Computing (HPC), a new I/O subsystem, Burst Buffer, based on solid state drives (SSD), has been developed. However, the diverse HPC workloads and the bursty I/O pattern cause severe data fragmentation that requires costly garbage collection (GC) and increases the number of bytes written to the SSD. To address this data fragmentation challenge, a new multi-stream feature has been developed for SSDs. In this work, we develop an I/O Separation scheme called BIOS to leverage this multi-stream feature to group the I/O streams based on the user IDs. We propose a stream-aware scheduling policy based on burst buffer pools in the workload manager, and integrate the BIOS with the workload manager to optimize the I/O separation scheme in burst buffer. We evaluate the proposed framework with a burst buffer I/O traces from Cori Supercomputer including a diverse set of applications. Experimental results show that the BIOS could improve the performance by 1.44x on average and reduce the Write Amplification Factor (WAF) by up to 1.20x. Finally, these demonstrate the potential benefits of the I/O separation scheme for solid state storage systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Effect of Block Length on the Properties of Multiblock Polysulfone-Poly(diallylpiperidinium hydroxide) Anion Exchange Membranes

Research in anion exchange membranes (AEM)s has continued with the development of materials bearing base stable cations. Designing AEMs that microphase separate into hydroxide conductive, hydrophilic domains within a hydrophobic and mechanically robust matrix has been shown to be successful for improving AEM performance. A series of multiblock polysulfone-poly(diallylpiperidinium hydroxide) copolymers (PSf-PDApipOH) of similar hydrophobic/hydrophilic composition was prepared in which the molecular weight of the hydroxide conducting PDApipOH segments was varied. The variable hydrophilic segment molecular weight was designed to assess the impact on microphase separation, hydroxide conductivity, and water management. The multiblock copolymers investigated were prepared by condensation polymerization of preformed4-fluorophenyl sulfone terminated poly(diallylpiperidinium hexafluorophosphate) (PDApipPF6) oligomers with polysulfone monomers. The structure-property relationship between the molecular weight of the conductive PDApipOH segments and AEM performance was demonstrated by evaluation of the microphase separation, water uptake, and hydroxide conductivity. Further, membranes fabricated from the polysulfone-poly(diallylpiperidinium hexafluorophosphate) (PSf-PDApipPF6) multiblock copolymers were shown to form well-connected conductive domains by SAXS and atomic force microscopy experiments. The PSf-PDApipOH membranes were highly conductive with the maximum hydroxide conductivity reaching 62.9 mS∙cm -1 at 60°C and 95% relative humidity. Furthermore, it was demonstrated that the conductivity increased with increasing PDApipOH segment molecular weight.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

PERFORMANCE ANALYSIS OF AN ENGINEERING SCALE HYDROTHERMAL LIQUEFACTION SYSTEM

This work evaluates the Modular Hydrothermal Liquefaction System (MHTLS), an engineering-scale, integrated continuous HTL plant operated at the Pacific Northwest National Laboratory (PNNL), for converting realistic wet wastes into energy-dense biocrudes. The production campaigns discussed here processed algae, sewage sludges, lignocellulosic blends, Industrial food waste, and engineered food-waste slurries at 350?°C and around 200?bar, with nominal feed rates of ~12?L?h?¹. We report biocrude yields and composition, establish mass and elemental (C, N) balances, and quantify energy performance via heater duties, heat-exchanger behavior, and system-level efficiencies. Biocrudes contained 76–80?wt?% C (dry, ash-free) with HHVs of 38-41?MJ?kg?¹, substantially higher than feed materials HHVs of 16.6–26.1?MJ?kg?¹ and approaching petroleum fuels. Dry, ash-free biocrude yields of 32–53?wt?% corresponded to 43–71?wt?% carbon yields, with 18–40?wt?% of feed carbon routed to the aqueous phase. Thermal efficiencies were 50-65%, and total energy efficiencies, including reactor heat input, were 35-55%. A counter-current tube-in-tube heat exchanger delivered U values of 200–450?W?m?²?K?¹, with fouling-induced declines impacting heat recovery and heater duty. The analysis highlights three priorities for the process intensification of HTL: robust, fouling-resistant heat recovery, hydrodynamically suitable reactor and heat-exchanger designs, simplified and predictable solids management, and biocrude-water separation.

Biocrude production↗

DOE OSTI2022

An MILP-Based Distributed Energy Management for Coordination of Networked Microgrids

An MILP-based distributed energy management for the coordination of networked microgrids is proposed in this paper. Multiple microgrids and the utility grid are coordinated through iteratively adjusted price signals. Based on the price signals received, the microgrid controllers (MCs) and distribution management system (DMS) update their schedules separately. Then, the price signals are updated according to the generation–load mismatch and distributed to MCs and DMS for the next iteration. The iteration continues until the generation–load mismatch is small enough, i.e., the generation and load are balanced under agreed price signals. Through the proposed distributed energy management, various microgrids and the utility grid with different economic, resilient, emission and socio-economic objectives are coordinated with generation–load balance guaranteed and the microgrid customers’ privacy preserved. In particular, a piecewise linearization technique is employed to approximate the augmented Lagrange term in the alternating direction method of multipliers (ADMM) algorithm. Thus, the subproblems are transformed into mixed integer linear programming (MILP) problems and efficiently solved by open-source MILP solvers, which would accelerate the adoption and deployment of microgrids and promote clean energy. The proposed MILP-based distributed energy management is demonstrated through various case studies on a networked microgrids test system with three microgrids.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

Capacity Investment under Bayesian Information Updates at Reporting Periods: Model and Application

We consider capacity addition decisions by a new product manufacturer faced with uncertain technology alternatives. The manufacturing capacity addition and technology development occurs in parallel, with preliminary results from a technology project's success providing valuable information to the manufacturer in adding capacity. We solve a stochastic dynamic program with Bayesian updates to obtain the manufacturer's expected profit‐maximizing capacity investment decision. Our model and applications are motivated by the Critical Materials Institute (CMI) (funded by the Department of Energy), which manages research projects focused on mitigating critical material constraints, vital to renewable energy technologies such as direct‐drive wind turbines, electric vehicles, and energy‐efficient lighting. We capture three unique aspects of the problem: first, the learning from project progress depends on task‐based stochastic outcomes and a project's percent‐done. Second, the underlying technology's profitability is based on a model of competition. Third, we evaluate the impact of progress across a portfolio of projects based on a manufacturer's capacity addition. We develop a heuristic that produces results that are close to optimal and can thus be used for large problem sizes. The managerial insights from an application of our model to CMI projects include: (i) technology projects that report the percent‐done of a project earlier increase expected manufacturer profit; (ii) careful choice of “safe bets,” that is, technologies with low profitability but a high probability of success, can increase expected manufacturer profit; (iii) a portfolio of projects can increase profits significantly over separate project evaluation; and (iv) dynamic management of project resources can increase overall profit.

Vedantam, Aditya↗

DOE OSTI2024

Summary of Savannah River Site FY23 Salt Waste Qualification Data

The Savannah River National Laboratory (SRNL) analyzed samples from Savannah River Site (SRS) Waste Tanks 41H and 21H to support qualification of Salt Waste Processing Facility (SWPF) Waste Batches 8 and 9 for processing (the FY23 Salt Batch Qualification samples). These Tanks (i.e. 41H and 21H) are blend tanks for feed to SWPF. None of the samples displayed any unusual or unexpected characteristics such as large amounts of solids, floating solids, or unusual color. Characterization of these samples confirmed similar chemical composition and characteristics to previous salt waste batches. The results for Batches 8 and 9 were provided by SRNL to Savannah River Mission Completion (SRMC), the Liquid Waste Operations subcontractor at SRS, as External Sample Results (Laboratory Information Management System (LIMS)) Reports. Additionally, a separate technical memo was issued by SRNL to report re-test data for Batch 8 for Cs-137 for filtered samples only which were run at the request of SWPF. For Batch 9, a set of samples was also analyzed in parallel by the SWPF-Analytical Laboratory (SWPF-AL). The SWPF-AL data is included herein for comparison with the SRNL data where applicable. The analytical results (both rapid, typically 4 weeks, and long term, typically 8 weeks) for Batches 8 and 9 are now summarized and discussed in this technical report.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Complexation of Lanthanides and Heavy Actinides with Aqueous Sulfur-Donating Ligands

The separation of trivalent lanthanides and actinides is challenging because of their similar sizes and charge densities. S-donating extractants have shown significant selectivity for trivalent actinides over lanthanides, with single-stage americium/ lanthanide separation efficiencies for some thiol-based extractants reported at >99.999%. While such separations could transform the nuclear waste management landscape, these systems are often limited by the hydrolytic and radiolytic stability of the extractant. Progress away from thiol-based systems is limited by the poorly understood and complex interactions of these extractants in organic phases, where molecular aggregation and micelle formation obfuscates assessment of the metal–extractant coordination environment. Because S-donating thioethers are generally more resistant to hydrolysis and oxidation and the aqueous phase coordination chemistry is anticipated to lack complications brought on by micelle formation, we have considered three thioethers, 2,2'-thiodiacetic acid (TDA), (2R,5S)- tetrahydrothiophene-2,5-dicarboxylic acid, and 2,5-thiophenedicarboxylic acid (TPA), as possible trivalent actinide selective reagents. Formation constants, extended X-ray absorption fine structure spectroscopy, and computational studies were completed for thioether complexes with a variety of trivalent lanthanides and actinides including Nd, Eu, Tb, Am, Cm, Bk, and Cf. TPA was found to have moderately higher selectivity for the actinides because of its ability to bind actinides in a different manner than lanthanides, but the utility of TPA is limited by poor water solubility and high rigidity. While significant competition with water for the metal center limits the efficacy of aqueous-based thioethers for separations, the characterization of these solution-phase, S-containing lanthanide and actinide complexes is the most comprehensively available in the literature to date. Here, this is due to the breadth of lanthanides and actinides considered as well as the techniques deployed and serves as a platform for the further development of Scontaining reagents for actinide separations. Additionally, this paper reports on the first bond lengths for Cf and Bk with a neutral S donor.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Flowsheet Evaluation of Dissolving Used Nuclear Fuel in PUREX Solvent

This study explores the potential benefit to the used nuclear fuel actinide recovery flowsheet of a process simplification and establish the experimental work needed to develop the simplified flowsheet. The simplification is based on replacing acid dissolution of used nuclear fuel with dissolution in the tri-butyl phosphate solvent used in the industrially mature Plutonium Uranium Reduction Extraction flowsheet. Though characterized by considerable uncertainty, simplified flowsheets appear feasible and potentially offer significant reductions in process complexity, nitrate inventory, secondary liquid effluent generation and plant footprint. Initial development of the technology should focus on key fission product and actinide dissolution as a function of process conditions and understanding the fundamental chemistry of tri-butyl phosphate solvent chemistry. Development of ancillary technologies for minor actinide separations and fuel pretreatment for tritium management is also recommended.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Comparison of Thermal Management Approaches for Integrated Traction Drives in Electric Vehicles

The continuous push to increase power densities of electric vehicle (EV) traction drive systems necessitates combining electric motor and power electronics into one unit. A single, compact traction drive unit with fewer interconnecting components also facilitates fast, automated assembly of electric vehicles, driving production costs down and enabling wider adoption of EVs. There are a number of challenges associated with the integration of power electronics with the electric machine, including thermal management of the combined traction drive system. However, one important benefit of integration from the thermal management system perspective is the potential for using a single fluid loop instead of two separate cooling systems for the electric machine and the power electronics/inverter. This paper reviews several integration approaches and, employing finite element analysis (FEA), compares thermal management solutions for the combined electric machine and power electronics systems. Namely, three different scenarios are modeled: (1) independent component (motor and power electronics) cooling, which is compared to the combined cooling system approach for (2) radially and (3) axially integrated power electronics modules into the motor enclosure. Temperature distributions for selected thermal loads and thermal resistances from the key heat-generating components to the cooling fluid are compared for each scenario.

47 OTHER INSTRUMENTATION↗

DOE OSTI2021

Porous Janus materials with unique asymmetries and functionality

Porous Janus materials have attracted widespread attention due to their asymmetry in wettability, charge, pore size or structure, thermal/electrical conductivity, and chemical activity, among other properties. Multifunction integration and unique directional manipulation of liquid, ions, or gas within porous Janus materials enable rapid progress in diverse applications such as water-oil separation, fog collection, personal moisture and healthcare management, energy conversion, desalination, sensor devices, and biomedical applications. Additionally, compared with conventional homogeneous materials, porous Janus materials not only showcase superior performance and energetic potential but also open up new applications by virtue of the synergistic or independent effects of asymmetry. This in-depth review systematically analyzes the research progress of porous Janus materials, highlighting fabrication strategies, synergistic/independent work mechanisms, and emerging advanced applications. Finally, ongoing challenges and outlook for the future research of porous Janus materials are presented.

36 MATERIALS SCIENCE↗

DOE OSTI2021

National Alliance for Water Innovation (NAWI) Power Sector Technology Roadmap 2021

The National Alliance for Water Innovation (NAWI) is a research consortium formed to accelerate transformative research in desalination and treatment to lower the cost and energy required to produce clean water from nontraditional water sources and realize a circular water economy. NAWI’s goal is to enable the manufacturing of energy-efficient desalination technologies in the United States at a lower cost with the same (or higher) quality and reduced environmental impact for 90 percent of nontraditional water sources within the next 10 years. The nontraditional source waters of interest include brackish water; seawater; produced and extracted water; power, mining, industrial, municipal, and agricultural waste waters. When these desalination and treatment technologies are fully developed and utilized, they will be able to contribute to the water needs for many existing end-use sectors. NAWI has identified five end-use sectors that are critical to the U.S. economy for further exploration: Power, Resource Extraction, Industry, Municipal, and Agriculture (PRIMA). This Power Sector roadmap aims to advance desalination and treatment of nontraditional source waters for beneficial use in public water supplies by identifying research and development (R&D) opportunities that help overcome existing treatment challenges. Under NAWI’s vision, the transition from a linear to a circular water economy with nontraditional source waters will be achieved by advancing desalination and reuse technologies in six key areas: Autonomous operations, Precision separations, Resilient treatment and transport, Intensified brine management, Modular membrane systems, and Electrified treatment systems, collectively known as the A-PRIME areas. Technological advances in these different areas will enable nontraditional source waters to achieve pipe parity with traditional supplies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗