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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

FluxRETAP: a REaction TArget Prioritization genome-scale modeling technique for selecting genetic targets

MOTIVATION: Metabolic engineering is rapidly evolving as a result of new advances in synthetic biology tools and automation platforms that enable high throughput strain construction, as well as the development of machine learning tools (ML) for biology. However, selecting genetic engineering targets that effectively guide the metabolic engineering process is still challenging. ML can provide predictive power for synthetic biology, but current technical limitations prevent the independent use of ML approaches without previous biological knowledge. RESULTS: Here, we present FluxRETAP, a simple and computationally inexpensive method that leverages the prior mechanistic knowledge embedded in genome-scale models for suggesting targets for genetic overexpression, downregulation or deletion, with the final goal of increasing the production of a desired metabolite. This method can provide a list of desirable engineering targets that can be combined with current ML pipelines. FluxRETAP captured 100% of reaction targets experimentally verified to improve Escherichia coli isoprenol production, 50% of targets that experimentally improved taxadiene production in E. coli and ∼60% of genetic targets from a verified minimal constrained cut-set in Pseudomonas putida, while providing additional high priority targets that could be tested. Overall, FluxRETAP is an efficient algorithm for identifying a prioritized list of testable genetic and reaction targets. AVAILABILITY AND IMPLEMENTATION: FluxRETAP is implemented in python and released under the creative commons license. The implementation and code are freely available at: https://github.com/JBEI/FluxRETAP.

Czajka, Jeffrey J↗
DOE OSTI2025

Advanced Processing of Coal and Coal Waste to Produce Graphite for Fast-Charging Lithium-Ion Battery Anode

The University of North Dakota (UND) Energy & Environmental Research Center (EERC), in collaboration with the UND Center for Process Engineering Research (CPER), conducted a project to validate two technologies capable of converting North Dakota lignite and lignite coal waste to high-quality graphite for fast-charging lithium-ion battery (LIB) anode. The project was conducted over about 3 years from April 7, 2022, to July 6, 2025. The two technological paths pursued in this project include path A – direct conversion of coal or coal waste to graphite by the upgraded carbon ores to products (UCOP) process being developed at the EERC and path B – lignite-derived coal tar pitch (CTP) conversion to graphite (CTP2G) process being developed at CPER. The results from this project validate the two technological approaches and are expected to be an integral part of a portfolio of emerging technologies for making high-quality graphite not only from North Dakota lignite, but from all ranks of U.S. domestic coal and coal waste resources. The quality of the graphite produced by these technologies is high enough for various applications, including batteries for the fast-growing electric vehicle industry, energy storage applications, electric arc furnace electrodes for steel production, and graphene production, among others. Although the two technologies can produce high-quality graphite, they are fundamentally different in that the UCOP technology provides a direct path to transform coal to graphite, while the CTP2G technology needs to go through a CTP intermediate and a coking process for the intermediate, which requires a special facility to accomplish. For application in the industry, the UCOP process is designed to be more flexible, with feedstock to include potentially any carbonaceous material such as all coal ranks and biochar, while the CTP2G process is designed to utilize CTP as the starting precursor. The key project accomplishments include the following: • Successful preparation of high-quality synthetic graphite from North Dakota lignite coal/coal wastes and lignite-derived CTP. • Patent application has been filed for the UCOP process and an internal invention disclosure has been filed for the CTP2G process. • The produced graphite performs better than a commercial battery-grade sample in LIB coin cells, especially fast-charging capability, stability, and long-duration cycling. • Coin-type Li-ion half-cells with CTP2G graphite showed excellent performance, with >370 mAh/g capacity, >90% initial coulombic efficiency, and 93%/67% retention at 1C/2C rate, which outperforms commercial graphite in charging speed, stability, and cycling. • Results of fabricated 18650 cells were consistent with the observations in coin cells. • Preliminary techno-economic analysis (TEA) estimates for the UCOP technology indicate a manufacturing cost of about $\$$39/kg based on 50-metric ton/year capacity. • Preliminary TEA estimates for the CTP2G technology indicate a market price of about $\$$7107/ton ($\$$7/kg) based on 22,000-ton/year production capacity.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

Single‐Step Recovery of Water from Stable Crude Oil‐Water Emulsion Using Surface Engineered Hybrid Inorganic‐Polymer Membranes

ABSTRACT Separating crude oil from water remains one of the most stubborn challenges in environmental remediation, especially for surfactant‐stabilized emulsions that resist conventional demulsification methods. Here, we report a scalable strategy for achieving near‐zero‐discharge separation of crude oil emulsions using a single superhydrophilic membrane. By applying low‐temperature atomic layer deposition (ALD) of various metal oxides onto activated polyvinylidene fluoride (PVDF) membranes, we create atomically precise surface‐engineered (SE) membranes that maintain an exceptionally strong hydration layer at the membrane‐feed interface, even at high oil loadings. Among the various metal oxides, TiO 2 ‐modified SE membranes exhibit superior interfacial water stability, enabling sustained dewatering of complex crude oil‐water emulsions with >98% separation efficiency and >97% water recovery, compared to only 24.6% water recovery for the pristine membrane. This separation performance surpasses conventional hydrophilic membranes and is comparable to complex Janus channel membrane systems, demonstrating near‐complete emulsion separation using a single membrane. This low‐temperature membrane surface engineering process with atomic‐level precision and potential for scalability via roll‐to‐roll fabrication is promising for industrial‐scale, energy‐efficient water treatment and oil spill remediation applications.

Sengupta, Bratin [Applied Materials Division Argon↗
DOE OSTI2024

Review: Pre-Darcy flows in low-permeability porous media

The widely used Darcy’s law specifies a linear relation between the Darcy velocity of fluid flow and the pressure gradient that drives the flow. However, studies have shown that Darcy velocity can exhibit a nonlinear dependence on the pressure gradient in low-permeability porous media such as clay and shale when the pressure gradient is adequately low. This phenomenon is referred to as low-velocity non-Darcian flow or pre-Darcy flow. This paper provides a comprehensive review of the theories, experimental data, and modeling methods for pre-Darcy flow in low-permeability porous media. The review begins by outlining the fundamental mechanisms underlying pre-Darcy flow that regulate the unique characteristics such as nonlinear dependence of the Darcy velocity on the pressure gradient and its relevance to fluid–rock interactions. The review then proceeds to present a thorough compilation of experimental investigations performed in various low-permeability geomaterials including tight sandstones, shales, and clays. Next, empirical and theoretical models and simulation methods that have been developed to fit and interpret experimental data are reviewed. Finally, the review underscores the challenges encountered in conducting and interpreting pre-Darcy flow experiments and suggests future research directions. By analyzing previous experimental investigations, this review aims to offer a valuable resource for researchers and practitioners seeking to enhance their understanding of fluid dynamics in low-permeability geomaterials. This provides insights into the application of pre-Darcy flow in numerous natural and engineered processes such as shale oil and gas recovery, contaminant transport in low-permeability aquifers, and geological disposal of nuclear waste.

58 GEOSCIENCES↗
DOE OSTI2024

SAM-I-Am: Semantic boosting for zero-shot atomic-scale electron micrograph segmentation

Image segmentation is a critical enabler for tasks ranging from medical diagnostics to autonomous driving. However, the correct segmentation semantics — where are boundaries located? what segments are logically similar? — change depending on the domain, such that state-of-the-art foundation models can generate meaningless and incorrect results. Moreover, in certain domains, fine-tuning and retraining techniques are infeasible: obtaining labels is costly and time-consuming; domain images (micrographs) can be exponentially diverse; and data sharing (for third-party retraining) is restricted. To enable rapid adaptation of the best segmentation technology, we propose the concept of semantic boosting: given a zero-shot foundation model, guide its segmentation and adjust results to match domain expectations. Here, we apply semantic boosting to the Segment Anything Model (SAM) to obtain microstructure segmentation for transmission electron microscopy. Our booster, SAM-I-Am, serves as a post-processing engine that extracts geometric and textural features of various intermediate masks to perform mask removal and mask merging operations. We demonstrate a zero-shot performance increase of (absolute) +21.35%, +12.6%, +5.27% in mean IoU, and a -9.91%, -18.42%, -4.06% drop in mean false positive masks across images of three difficulty classes over vanilla SAM (ViT-L).

36 MATERIALS SCIENCE↗
DOE OSTI2026

Hydrogenolysis Versus Hydrocracking for Polyolefin Upcycling

Global plastic production has reached 413.8 million metric tons in 2024 and is forecasted to surpass 1.2 billion metric tons by 2050. Polyolefins, mainly polyethylene (PE) and polypropylene (PP), dominate single-use packaging and account for approximately 55% of global plastic waste. The chemical inertness that makes these materials desirable for commercial applications also renders them persistent in the environment. Current recycling technologies have proven to be insufficient to divert plastic waste from landfills or environmental loss due to technical limitations and poor economic incentives. Conventional mechanical recycling is a form of downcycling, in which the polymer remelting process results in products with inferior material properties and reduced market value. Pyrolysis, a thermochemical route used for the chemical recycling of plastic wastes into refinery feedstock, requires severe conditions, typically 400–600 °C in an oxygen-free environment. The high temperature drives up energy costs and produces a wide range of poorly defined products, including undesirable light gases and heavy tars that pose challenges for downstream processing. As an alternative, catalytic chemical recycling offers a promising route for converting waste polyolefins back into value-added hydrocarbons—such as fuels, lubricant base oils, and other chemical feedstocks—at temperatures typically below 300 °C. This opinion article focuses on two dominant pathways in heterogeneous catalysis that are used to cleave the C–C bonds of polyolefins: hydrogenolysis and hydrocracking. Both catalytic pathways have the potential to selectively convert polyolefin waste into valuable fuels and chemical feedstocks under mild conditions. Notably, while hydrocracking primarily yields branched hydrocarbon products, hydrogenolysis predominantly produces linear hydrocarbons. Here, we compare the mechanisms and catalyst designs for hydrocracking and hydrogenolysis, analyze critical technical challenges from catalyst stability to process engineering, and provide an outlook on how these complementary pathways can be used to repurpose plastic waste into valuable products.

Zhang, Ruoxi [Iowa State Univ., Ames, IA (United S↗
DOE OSTI2025

In-Situ Atomic-Scale Revelation of Amorphous Metallic Iron Formation during Hydrogen-Driven Reduction of Iron Oxides

The transition to hydrogen as a green reductant in metal production is critical for decarbonizing the metallurgical industry, yet atomic-scale mechanisms governing reduction pathways and phase evolution remain unresolved. Using in-situ environmental transmission electron microscopy, we identify a hidden pathway that reveals dynamic formation of amorphous metallic iron (Fe) during the hydrogen-driven reduction of ferrous oxides of Fe 3 O 4 and FeO. Real-time imaging uncovers three coexisting transformation routes: (i) Fe 3 O 4 → FeO, (ii) Fe 3 O 4 → amorphous Fe, and (iii) FeO → amorphous Fe. The resulting amorphous Fe exhibits fluid-like mobility, enabling its rapid aggregation and crystallization into core-shell nanostructures, with a crystalline core enveloped by an amorphous shell. Complementary ab initio molecular dynamics simulations trace the amorphous Fe formation to interfacial strain at the metal/oxide interfaces, where large lattice mismatches destabilize the metal lattice during initial metallization. This interplay between thermodynamics and kinetics governs phase evolution: thermodynamics favors a self-limiting amorphous Fe overlayer, while rapid oxide reduction kinetics drives amorphous overgrowth. Our findings demonstrate that amorphous intermediates bypass rate-limiting crystalline steps, providing mechanistic insights to optimize H 2 -based processes for sustainable steelmaking. In conclusion, these insights bridge the gap between macroscopic process engineering and atomic-scale dynamics, with broader implications for catalysis and nanostructured material synthesis, where oxide reduction pathways critically shape functional phases and microstructures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Bicarbonate-Carbonate Selectivity through Nanofiltration for Direct Air Capture of Carbon Dioxide

Direct air capture (DAC) of carbon dioxide is one approach among many proposed that is capable of offsetting hard-to-avoid emissions. In previous work, we developed the alkalinity concentration swing (ACS) method, which is driven through concentrating an alkaline solution that has been loaded with atmospheric CO 2 by desalination technologies, such as reverse osmosis or capacitive deionization. Though the ACS is promising in terms of energy usage and implementation, its absorption rate and water requirements are infeasible for a large-scale DAC process. Here, we propose an improvement on the ACS, the bicarbonate-enriched alkalinity concentration swing (BE-ACS), which selects bicarbonate ions from a stream of aqueous alkaline solution that has absorbed atmospheric CO 2 . The bicarbonate-rich stream is then concentrated, which greatly increases its CO 2 partial pressure, and then CO 2 is extracted from solution. We experimentally investigate the use of pressure-driven nanofiltration (NF) membrane-based separation to select bicarbonate ions over carbonate ions. We screen commercial membranes and select one high-performance membrane for detailed studies, quantifying its bicarbonate-carbonate selectivity factor and bicarbonate-passage factor. Feed pH, the combined concentration of aqueous CO 2 , bicarbonate, and carbonate species (or dissolved inorganic carbon), alkalinity, and permeation flux are systematically varied to study NF separation properties. We find that the selectivity factor, which exceeds 30 times in certain regimes, increases with higher feed pH and higher alkalinity. Lastly, the performance metrics of the selected NF membrane are input into a theoretical BE-ACS cycle analysis, and the required energy input and cycle capacity output are evaluated. Ideal cycle energy is found to be as low as around 250 kJ/mol, with opportunities identified for further decreases through process engineering and forward osmosis energy recovery.

animal feed↗
DOE OSTI2024

Fluid inertia controls mineral precipitation and clogging in pore to network-scale flows

Mineral precipitation caused by fluid mixing presents complex control and predictability challenges in a variety of natural and engineering processes, including carbon mineralization, geothermal energy, and microfluidics. Precipitation dynamics, particularly under the influence of fluid flow, remain poorly understood. Combining microfluidic experiments and three-dimensional reactive transport simulations, we demonstrate that fluid inertia controls mineral precipitation and clogging at flow intersections, even in laminar flows. We observe distinct precipitation regimes as a function of Reynolds number (Re). At low Reynolds numbers (Re < 10), precipitates form a thin, dense layer along the mixing interface, which shuts precipitation off, while at high Reynolds numbers (Re > 50), strong three-dimensional flows significantly enhance precipitation over the entire intersection, resulting in rapid clogging. When injection rates from two inlets are uneven, flow symmetry-breaking leads to unexpected flow bifurcation phenomena, which result in enhanced concurrent precipitation in both downstream channels. Finally, we extend our findings to rough channel networks and demonstrate that the identified inertial effects on precipitation at the intersection scale are also present and even more dramatic at the network scale. This study sheds light on the fundamental mechanisms underlying mixing-induced mineral precipitation and provides a framework for designing and optimizing processes involving mineral precipitation.

Science & Technology - Other Topics↗
DOE OSTI2025

A code-to-code benchmark for magneto-convection in a horizontal duct

Liquid metals and magnetic fields are used in many technical applications such as metallurgy, crystal growth and nuclear fusion reactors. When an electrically conducting fluid moves in a magnetic environment, electric currents and electromagnetic forces are generated that affect velocity and pressure losses in the flow. These magnetohydrodynamic (MHD) interactions have to be investigated to optimize the engineering processes. The characteristics of MHD flows depend on the geometrical configuration, the strength of the applied magnetic field, the electrical properties of fluid and structural materials and the thermal conditions. In the so-called blankets for fusion reactors, where liquid metals are used to breed the plasma fuel component tritium and to extract the generated heat, magneto-convective flows play a crucial role in determining heat and mass transfer. Therefore, the availability of numerical codes to simulate this type of flow is mandatory and their validation is a necessary step to guarantee the reliability of the results. For that reason, a benchmark problem has been defined to simulate liquid metal flows in a horizontal rectangular duct heated from below and exposed to a non-uniform magnetic field. Results obtained by five research groups using different codes are compared.

benchmark↗
DOE OSTI2024

Impact of hydrogenation on the stability and mechanical properties of amorphous boron nitride

Abstract Interconnect materials with ultralow dielectric constant, and good thermal and mechanical properties are crucial for the further miniaturization of electronic devices. Recently, it has been demonstrated that ultrathin amorphous boron nitride (aBN) films have a very low dielectric constant, high density (above 2.1 g cm −3 ), high thermal stability, and mechanical properties. The excellent properties of aBN derive from the nature and degree of disorder, which can be controlled at fabrication, allowing tuning of the physical properties for desired applications. Here, we report an improvement in the stability and mechanical properties of aBN upon hydrogen doping. With the introduction of a Gaussian approximation potential for atomistic simulations, we investigate the changing morphology of aBN with varying H doping concentrations. We found that for 8 at% of H doping, the concentration ofsp 3 -hybridized atoms reaches to a maximum which leads to an improvement of thermal stability and mechanical properties by 20%. These results will be a guideline for experimentalists and process engineers to tune the growth conditions of aBN films for numerous applications.

Materials Science↗
DOE OSTI2024

Integrated Off-Gas System Tests on the DM1200 Melter with RPP-WTP LAW Sub-Envelope C1 Simulants (Final Report)

The report documents melter and off-gas performance results obtained on the DM1200 during processing of LAW Sub-Envelope Cl feed. The principal objectives of the DM1200 melter testing were to demonstrate suitable processing and production rates for LAW Cl feed; characterize the glass product for elemental composition, the presence of organic compounds, and TCLP response for metals; and measure destruction and removal efficiencies (DREs) for organic compounds across the melter and off-gas treatment components. The feed was spiked with organic compounds for part of the testing duration. Data were collected for both process engineering needs and to support regulatory activities. The data needed for regulatory support were collected using EPA methods and independent data analyses and data checking were performed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Evaluating Microchannel Heat Exchanger Lifetime for Concentrating Solar Power Applications FY24Q4 (RPPR-1)

Microchannel heat exchanger technology is being pursued for next generation CSP concepts for primary power cycle heat addition and power cycle heat recuperation due to the high heat transfer coefficients and pressure containment advantages of small sCO 2 channels. The economics of future CSP plants as dictated by the SETO 2020 or 2030 targets depend on a heat exchanger with a 30-year lifetime (resisting creep, fatigue, corrosion, erosion) and operational characteristics such as fast ramping and the ability to withstand thermal shock. However, the lifetime and operational limits of microchannel heat exchangers operating at high-temperatures, particularly those constructed from high-nickel alloys, are not well known. This uncertainty has resulted in heat exchanger vendors not being able to accurately forecast heat exchanger lifetime as required by customers, specify operational limits as required by process engineers to prevent premature heat exchanger failure, or overdesign heat exchanger which leads to higher cost than necessary. Our goal is to evaluate heat exchanger lifetime and operational limits for the manufacturing and prototype design for next-generation CSP heat exchanger technology through a combination of collecting experimental data and modeling studies.

14 SOLAR ENERGY↗
DOE OSTI2024

Development of a Novel DIW-PuSL Printer: The xPuSL Project

During my internship at Lawrence Livermore National Laboratory, I contributed to the xPuSL project. The xPuSL project aimed to revolutionize multi-material 3D printing by combining DIW and PuSL techniques to produce complex geometries with functional materials. My role encompassed process engineering, control systems, experimentation, and CAD design, leading to a streamlined workflow from CAD models to xPuSL prints.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Evaluating Microchannel Heat Exchanger Lifetime for Concentrating Solar Power Applications Research Performance Progress Report (RPPR-1)

Microchannel heat exchanger technology is being pursued for next generation CSP concepts for primary power cycle heat addition and power cycle heat recuperation due to the high heat transfer coefficients and pressure containment advantages of small sCO 2 channels. The economics of future CSP plants as dictated by the SETO 2020 or 2030 targets depend on a heat exchanger with a 30-year lifetime (resisting creep, fatigue, corrosion, erosion) and operational characteristics such as fast ramping and the ability to withstand thermal shock. However, the lifetime and operational limits of microchannel heat exchangers operating at high temperatures, particularly those constructed from high-nickel alloys, are not well known. This uncertainty has resulted in heat exchanger vendors not being able to accurately forecast heat exchanger lifetime as required by customers, specify operational limits as required by process engineers to prevent premature heat exchanger failure, or overdesign heat exchanger which leads to higher cost than necessary.

14 SOLAR ENERGY↗
DOE OSTI2025

Low-Cost, Scalable Sorbents with Balanced Capacity-Kinetics-Thermodynamics for H2 Storage

The goal of this project is to utilize cutting-edge materials science, chemistry, and process engineering to demonstrate the feasibility of a new class of scalable sorbents with unprecedented balance of capacity-kinetics-thermodynamics for H 2 storage in fossil fuel power plants . The core fabrication leverages the unique exotic properties (e.g., high H 2 affinity, ultrahigh surface area, and exceptional thermal, mechanical and chemical stability) of the emerging 2D materials i.e. hexagonal boron nitride (hBN) followed by strategic coupling with alkali metals (Li, Na) dopants and optimal interlayer distance to deliver a stable, long-term energy storage for the grid. Figure 1 shows how this technology works.

08 HYDROGEN↗
DOE OSTI2024

In‐operando thermal transport characterization of moving particle bed heat exchanger

The project aimed to develop modulated photothermal radiometry (MPR) for conducting in-operando measurements of thermal transport in moving particle bed heat exchangers (MPBE) located at Sandia National Laboratory (SNL). The plan was to initially conduct lab-scale measurements on a 1-meter-long particle channel at UCSD, followed by in- operando measurements at SNL on a 20 kWth MPBE prototype built for this project, and if time permitting, potential final deployment on SNL’s 1 MWth G3P3 MPBE. The first two goals were successfully achieved but due to changes with commissioning timeline of the G3P3 MPBE, in-operando measurements on the G3P3 MPBE could not be conducted. The measurement campaigns have resulted in some promising results and the MPR tool has been handed over to trained SNL personnel for future use. MPR measurements on UCSD’s 1-meter-long particle channel showed a peculiar length dependence of the particle bed thermal conductivity and near-wall thermal resistance. The bed thermal conductivity increased, and the near-wall thermal resistance decreased, with increasing distance from the channel inlet, both eventually reaching a plateau. This was found to be due to hydrostatic pressure screening by the channel walls, known as the “Janssen effect”, and is the first experimental study on its role in granular heat transfer. A 20 kWth small-scale MPBE prototype, the first of its kind with 3 mm particle channels and 2 mm sCO2 plates, was designed and manufactured by Vacuum Process Engineering (VPE) for this project. This MPBE prototype was installed in SNL’s HEX test stand and the MPR tool was integrated into the test stand for in-operando measurements. Several modifications have been made to the MPR setup for facile installation and easy operation at SNL. Measurements with Carbo HSP40/70 particles were conducted with various particle and sCO2 temperatures and flow rates. Further, apart from regular MPBE operation, fault scenarios such as plate warping, particle stagnation, and choking were also detected and MPR showed excellent sensitivity to the detection of such conditions. Through the course of this project, MPR has evolved from a sensitive laboratory technique to a rugged industrial tool with various applications in high temperature measurements and diagnostics.

14 SOLAR ENERGY↗
DOE OSTI2025

Studies as a function of different ALD capping layers on cavity losses for QIS and accelerators

Niobium-based bulk SRF cavities have demonstrated exceptional performance. To further improve niobium cavity performance, we present studies involving a novel surface engineering process designed to prevent the formation of amorphous niobium oxides on the surface. This is achieved by encapsulating the niobium surface using thermal Atomic-Layer-Deposition (ALD). This technique has been shown to enhance the properties of niobium cavities and 2D resonators. This study not only aims to improve SRF performance at high fields but also has the potential to enhance the quality factor in low-field regimes, particularly for quantum applications. For the method to be effective, it is essential to have a clean interface between the encapsulating layer and the bulk niobium. Achieving this requires a uniform coating across the entire cavity surface and efficient removal of the underlying niobium oxides. To optimize the process, a variety of material characterization tools have been utilized to refine parameters such as thin film thickness and annealing conditions. Cavity RF measurements were performed at the vertical test facilities at FNAL to assess the Q vs. Eacc curves for accelerator applications, as well as at the SQMS dilution refrigerators to investigate the full two-level system (TLS) losses at milliKelvin and single-photon levels. Based on the results, we characterized the loss of different oxides in various regimes and applications, comparing them to natural niobium pentoxide.

Grassellino, L. [Fermilab]↗