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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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At least 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Development of Self-Assembly Supports Enabling Transformational Membrane Performance for Cost-Effective Carbon Capture

This final technical report describes work conducted by Membrane Technology and Research, Inc. (MTR) for the U.S. Department of Energy (DOE), National Energy Technology Lab (NETL) on the development of membranes with transformational performance for carbon capture under award number DE-FE0031596. The work was performed from June 1, 2018 through May 31, 2024. For more than a decade, MTR has worked in partnership with DOE to develop an innovative membrane-based CO 2 capture process. This effort has included the first test of membrane modules with coal-fired flue gas at the Arizona Public Services (APS) Cholla plant in 2010; the accumulation of >11,000 hours of flue gas operation for Polaris modules on a bench-scale 1 tonne/day (TPD) system at the National Carbon Capture Center (NCCC); scale-up of first-generation (Gen-1) Polaris to a 20 TPD small pilot system, and successful operation of this system on a flue gas slipstream at NCCC and in integrated boiler testing at Babcock & Wilcox (B&W). Through continued development efforts, a second-generation (Gen-2) version of the Polaris membrane has been scaled-up to pilot production. This membrane offers 70% higher CO 2 permeance with similar selectivity to the base case Polaris. MTR also developed planar modules designed specifically for the low-pressure, high-volumetric flow rate process conditions of flue gas operation. These new modules have significantly lower pressure-drop values compared to the type originally used (spiral-wound modules), which results in significant energy savings. The goal of the work described in this report was to improve on the Polaris Gen-2 membrane with the ultimate aim to reduce the cost of carbon capture. The majority of the effort was to develop improved support membranes for the multi-layer composite structure of MTR’s Polaris membrane. Earlier work at MTR had identified the support structure as limiting membrane permeances, not because the support itself represents a permeation resistance, but because the distribution of pores at the surface of the support imposes a geometric restriction to diffusion in the layers above it. Support membranes were prepared from a range of polymers, including commercially available block copolymers and a custom synthesized block copolymer alternative. The best support membranes developed in this project reduced the geometric restriction by a factor of two to three. These supports then were used to produce Polaris composite membranes with improved permeances. The second topic was to create a high-selectivity version of the Polaris membrane. The high-selectivity version uses a novel selective polymeric material and high selectivities were confirmed in experiments at MTR. The material is not easily made into very thin films. Consequently, the permeances are significantly lower than the Polaris Gen-2 membrane. The utility of this membrane is therefore limited to the carbon dioxide purification step that produces liquid CO 2 . A Technical and Economic Analysis (TEA) was performed for a carbon capture system that uses both advanced membrane types. The TEA shows the novel advanced membranes reduce the cost of capture by 10%, from $63.32/tonne CO 2 to $56.90/tonne CO 2 (2022 USD). Most of the development work was carried out with laboratory-scale casting and coating equipment. A number, but not all, of the improvements identified have been implemented on commercial-scale manufacturing equipment. The focus of future work at MTR is to incorporate the advancements made into the Polaris membrane manufacturing process.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Enforcing Self-Consistent Kinematic Constraints in Neutrino Energy Estimators

Machine learning algorithms have long been utilized across many experimental collaborations within the neutrino physics community in applications to ascertain the singular kinematic quantity of initial neutrino energy for use in neutrino oscillation analyses. However, most of these algorithms do not incorporate a coherent physical picture of initial neutrino kinematics, opting to introduce loss functions involving knowledge of only |pν |. Here, we argue for the introduction of composite loss functions utilizing the full kinematic description of the neutrino, pν ≡ (E, px, py , pz ), compiling all relevant energy and angle information consistently. The use of such a fully defined variable can be seen as a usage of Physics Informed Machine Learning.

Richi, R. R.↗
DOE OSTI2024

LANL Meteorology Program Self-Assesment 2024 Update

The DOE Meteorological Coordinating Council (DMCC) conducted an initial LANL Meteorological (Met) Program Assist Visit in August 2006 (DMCC 2006). A follow-up assist visit in August 2015 assessed progress (DMCC 2015), and in June 2023, the DOE Meteorological Subcommittee (DMSC), successor to the DMCC, conducted a second follow-up assist visit (DMSC 2023), in which the Met Program was evaluated relative to the following 8 high-level questions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Alpha-Quartz Plastic Strength Investigation Via Diffraction Experiments on Novaculite Using A D-Dia and Elastic Plastic Self- Consistent Interpretation [Thesis}

X-Ray Tomography. Porosity is commonly measured using mercury injection (MI) or water immersion porosimeter (WIP). Both MI and WIP utilize pressure to fill open voids with mercury or water respectively. A measure of the volume change of the sample is then used to estimate the percentage of open voids. However, for the purpose of rheological study it is important to get an accurate measure of open and closed voids. X-ray tomography has been selected as it offers a three-dimensional view into the sample that can quantify all pores limited only by the voxel size which is in the micron range for this study. Radiographs for tomography were collected at the Material Science and Technology Division at Los Alamos National Lab using the Carl Zeiss Xradio 520 instrument and Scout-and-Scan version 16.1 operating software. Two samples were imaged, the starting material and the deformed sample SiO2_65. 3001 radiographs were taken of the starting material with a 6 second exposure time using a 4x objective lens. The x-ray beam was set to 60 kilovoltage peak (kVp) and 5 watts. 1901 radiographs were taken of SiO2_65 with a 25 second exposure time using a 10x objective lens. The x-ray beam was set to 80 kVp and 7 watts. Radiograph files were analyzed by Brian Patterson using Avizo. Void and inclusion volumes were output by voxel sized (1.03 μm) slices, used to calculate a total percentage volume for the starting material.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Self-Aware Local Autonomous and Semi-Cooperative Control for Cross-Layered Resilience (SLAC3R)

The objective of this work is to develop and demonstrate novel, adaptive, lightweight algorithms that enable the decision-making agents in a large cyber-physical network to act both autonomously and in collaborative harmony to enforce assured resilience across spatiotemporal layers, even under unforeseen adversarial scenarios (e.g., high- impact-low-probability events). Towards this end, the proposed solution will serve as minimally invasive add-on layers that bridge the existing (faster, reactive) local myopic controls and (slower, predictive) centralized optimization. Importantly, the proposed algorithms will enable the multi-agent network to autonomously and collaboratively enforce resilient operation under no or limited communication environment typical of severe cyber- physical adversarial events. The expected outcome of this effort is a suite of prototype, open-source, software algorithms for safety-aware local autonomous and semi-cooperative control (SLAC3R), demonstrated on networked microgrids (via RD2C/Thrust-1 OPAL-RT testbed).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Self-Assembling Cell-Free Systems for Scalable Bioconversion

This project focused on developing cell-free systems to directly express multi-enzyme catalysts and perform CO2 bioconversions for industrial chemical production. The use of cell-free expression (CFE) systems derived from bacterial lysates is emerging as a promising approach for biomanufacturing. CFEs are genetically programmable, permit the expression of toxic enzymes, and allow for rapid prototyping of metabolic pathways. Research Contributions: 1. Understanding the Area Investigated: This research advances the understanding of cell-free systems by demonstrating their capability to perform complex multi-enzyme reactions. By directly expressing multi-gene systems, CFEs avoid the high costs and inefficiencies associated with producing and purifying enzymes for multi-step pathways. 2. Technical Effectiveness and Economic Feasibility: The project successfully engineered a CFE-based multienzyme biocatalyst for the de novo synthesis of serine and glycine from CO2 equivalents (formate and bicarbonate) and ammonia. This method achieved a 30% conversion rate of formate into these industrially important amino acids. Additionally, an 8-gene CFE biocatalyst was developed to produce malate, conserving 43% of carbon that would otherwise be lost as CO2. This approach has the potential to reach higher carbon efficiency than microbial production. 3. Public Benefit: The cell-free production of chemicals like serine, glycine, and malate using electrochemically generated formate could significantly reduce CO2 emissions. For example, satisfying the global malate market with this method could avoid approximately 400,000 tons of CO2 emissions annually. This work demonstrates the potential of CFE systems to produce platform chemicals, contributing to environmental sustainability and reducing reliance on petrochemicals. Future Prospects: The CFE-based biocatalyst process could be extended to produce a variety of chemicals, including other industrial di-acids, aromatics, terpenes, alcohols, and polymers. This project showcases the capabilities of cell-free expression systems for prototyping carbon-conserving pathways and sustainably bioproducing platform chemicals, marking a significant step towards economically-viable industrial processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Catalytic Activation of Pyran Ethers in Self-Solvating Saccharides with Alkaline Earth Metals (Final Report)

Catalytic activation of cellulose ethers occurs via hydroxyl-stabilized cleavage of inter-monomer glycosidic bonds. Cooperativity between two hydroxyl groups lowers the ether cleavage transition state necessary to break apart long carbohydrate chains to initiate small molecule formation as fuel precursors. Metals existing with lignocellulosic materials including alkaline earth metals (Ca 2+ , Mg 2+ ) or alkali (Na + , K + ) also can catalyze ether scission cooperatively. By bonding with carbohydrate hydroxyl groups, a metal cation disrupt the hydrogen bonding network and free carbohydrate functional groups to react; a second metal cation stabilizes the carbohydrate ether transition state and enhances the rate of polymer scission. In this work, we expanded our initial understanding of metal-catalyzed glycoside ether scission. Within polysaccharides such as cellulose, two ether groups exist: one between monomers (glycosidic linkages) and one within a pyran ring. The hydroxyl-group hydrogen bonding network and bound metal ions form low energy binding states that interact with both ether oxygens simultaneously. Based on this interaction, our primary hypothesis was that the competition between stabilizing the two ether scission transition states determines the extent of the major pathways. Metals that disrupt the hydrogen bonding network of the C6 of sugars and stabilize the glycosidic ether promote transglycosylation to levoglucosan; in contrast, metals that stabilize the pyran ether oxygen promote sugar ring fragmentation to furans such as furfural. Varying characteristics of metal cation catalysts and configurations of bound polysaccharide chains dictate the relative rates of ether scission.

09 BIOMASS FUELS↗
DOE OSTI2025

Self-driving lab to automate the discovery of novel alloys

Pure metals like aluminum or titanium don’t always have the desired material properties— strength, hardness, ductility, or corrosion resistance—for a given application. For this reason, researchers seek out novel alloy solutions, mixing a primary metal element with a series of other elements to create a material with tailored properties for uses in aerospace, defense, automotive, energy, and more.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Abbr. Final report: Self-assembled molecular containers as artificial water channels: towards biomimetic desalination membranes

Global water scarcity demands advances in desalination technologies that can deliver more fresh water with less energy. Current reverse osmosis membranes are fundamentally limited by a trade-off between how much water they can pass and how well they block salts. To address this challenge, we developed a bottom-up strategy to design and test artificial water channels that mimic the efficiency of biological proteins but are built from robust synthetic molecules. Over two years, we synthesized and evaluated more than twenty molecular channel candidates, including supramolecular macrocycles and nanographene pores with atomically precise structures. We showed that small chemical modifications allow direct control over pore size and chemistry, which in turn govern water permeability and salt rejection. In collaboration with university partners, we reported the first experimental demonstration of water transport through a nanographene pore, bridging a long-standing gap between simulation and experiment. Several of the artificial channels we developed achieved water–salt selectivity beyond conventional polymer membranes, highlighting their potential for next-generation desalination and precision separations.

36 MATERIALS SCIENCE↗