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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Examination of actinide chemistry at solid-water interfaces to support advanced actinide separations (Final Report)

In this work we have examined the thermodynamics of actinide interactions with solid interfaces in the presence and absence of multi-functional complexing ligands. The term “interactions” is a global term to capture many potential reactions including aqueous complexation, sorption/surface complexation, surface-mediated redox reactions, electrostatic attraction and repulsion, surface passivation, surface precipitation, and counter-ion competition. Each of these potential reactions may control actinide interactions with a solid surface. This work is helping to develop a more fundamental understanding of actinide bonding at solid:water interfaces and examine unique surface mediated oxidation/reduction reactions which are not expected based on the reduction potentials of aqueous species. We place a large emphasis on understanding both sorption and desorption processes as a means of understanding the sorption mechanisms. This work is directly aligned with the DOE BES Heavy Element Chemistry programs interests in understanding “the chemical and physical properties of these elements to determine solution, interfacial and solid-state bonding and reactivity”.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Understanding the Effect of Lead Iodide Excess on the Performance of Methylammonium Lead Iodide Perovskite Solar Cells

The presence of unreacted lead iodide in organic-inorganic lead halide perovskite solar cells is widely correlated with an increase in power conversion efficiency. We investigate the mechanism for this increase by identifying the role of surfaces and interfaces present between methylammonium lead iodide perovskite films and excess lead iodide. We show how type I and II band alignments arising under different conditions result in either passivation of surface defects or hole injection. Through first-principles simulations of solid-solid interfaces, we find that lead iodide captures holes from methylammonium lead iodide and modulates the formation of defects in the perovskite, affecting recombination. Using surface-sensitive optical spectroscopy techniques, such as transient reflectance and time-resolved photoluminescence, we show how excess lead iodide affects the diffusion and surface recombination velocity of charge carriers in methylammonium lead iodide films. Our coupled experimental and theoretical results elucidate the role of excess lead iodide in perovskite solar cells.

14 SOLAR ENERGY↗
DOE OSTI2022

Assessing the stability of Pd-exchanged sites in zeolites with the aid of a high throughput quantum chemistry workflow

Abstract Cation exchanged-zeolites are functional materials with a wide range of applications from catalysis to sorbents. They present a challenge for computational studies using density functional theory due to the numerous possible active sites. From Al configuration, to placement of extra framework cation(s), to potentially different oxidation states of the cation, accounting for all these possibilities is not trivial. To make the number of calculations more tractable, most studies focus on a few active sites. We attempt to go beyond these limitations by implementing a workflow for a high throughput screening, designed to systematize the problem and exhaustively search for feasible active sites. We use Pd-exchanged CHA and BEA to illustrate the approach. After conducting thousands of explicit DFT calculations, we identify the sites most favorable for the Pd cation and discuss the results in detail. The high throughput screening identifies many energetically favorable sites that are non-trivial. Lastly, we employ these results to examine NO adsorption in Pd-exchanged CHA, which is a promising passive NO x adsorbent (PNA) during the cold start of automobiles. The results shed light on critical active sites for NO x capture that were not previously studied.

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

Acoustic Emissions Sensing for Tracing Carbon Dioxide Movement in Caprock of a Carbon Capture Utilizations and Storage System (CCUS) (Final Technical Report)

The overall objective of this research project was to develop a non-invasive acoustic-emission (AE)-based technology that can accurately predict the location and movement of CO 2 through a confining layer in a carbon capture, utilization, and storage (CCUS) system. Specifically, the aim was to explore the feasibility of using the Haines jumps AEs as a passive method to track movement of CO 2 in reservoirs used for CCUS applications.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

FEED Study of Carbon Capture Inc. DAC and CarbonCure Utilization Using United States Steel's Gary Works Waste Plant

Direct Air Capture (DAC) has been proposed as a means of reducing atmospheric concentrations of CO2. While DAC has been evaluated through lab-scale, bench-scale, and small-scale pilot units, large-scale deployment has not been achieved. Feasibility studies are one tool to understand the potential design, operation, performance, and impact of commercial-scale DAC. This paper presents the results of a feasibility study for a passive DAC system deployed at >100,000 tpy scale in three different regions across the U.S. and awarded to Carbon Collect by the U.S. Department of Energy National Energy Technology Laboratory (DOE NETL). The MechanicalTree™technology has been designed and engineered by Carbon Collect based on the concept initially developed at Arizona State University Center for Negative Carbon Emissions. It uses a tower of stacked, sorbentcontaining disks supported by a lifting mechanism, exposed to the air to capture CO2 during the adsorption phase. The disks are then lowered into a regeneration chamber for vacuum and steam regeneration to produce CO2 product during the desorption step. The modular tree design allows large installations with repeatable, mass-manufactured units connected to common utilities such as steam supply, vacuum, and CO2 processing for compression and geologic storage. The passive DAC system eliminates the equipment and energy of forced air fans by using natural air circulation to contact the sorbent with the CO2 in the air. Because of this, the performance is dependent on the wind speed in addition to the temperature and relative humidity. Performance and flow rate fluctuations were incorporated into equipment and facility design with considerations for turndown to 10% of maximum rated flow to allow operation in all seasons. The feasibility study was undertaken to evaluate the technology in different regions and climates. Three locations were selected for this study representing different climates: Alabama (hot and humid), California (hot and arid), and Wyoming (continental). For each region, the adsorption/desorption cycle was optimized including tuning the heat integration and cycle timings. The performance of individual trees was then scaled to the full facility with the same design of more than 20,000 trees common between all regions. The installations had expected average CO2 capture rates of between 330,000 and 485,000 tonnes of CO2 per year depending on the climate. The initial engineering design for the facility at each location was performed with cost and performance estimates for the trees, carbon purification and compression, and the balance of plant. To supply thermal and electrical energy for the facility, carbon-free or low-carbon power must be considered. Options for low-carbon, continuous thermal and electrical energy were considered. The best-performing option from those considered was identified to be an electrically-heated molten salt energy storage system, powered by an on-site photovoltaic field. During molten salt thermal discharge, steam is produced from heat exchange with the molten salt and used to generate power in a steam turbine as well as steam for regenerating the DAC carbon trees. The thermal and electrical supply and analysis is presented in the context of low-carbon power for carbon removal. Modelling and economics of transportation and geologic storage of the CO2 is considered and presented for each location. The results of the feasibility study are incorporated into the presented techno-economic and life-cycle assessments. This work is intended to provide an understanding of the performance, cost, and impact of capturing CO2 at the commercial scale and the impact of climate and regional siting on the considered passive DAC system.

42 ENGINEERING↗
DOE OSTI2022

Locating underground features with seismic data processing

Methods are presented for determining the location of underground features (e.g., CO 2 ). One method includes capturing, by sensors distributed throughout a region, seismic traces associated with seismic signals generated by a seismic source. For multiple sensors, active noise is identified or passive noise is measured within each seismic trace and values for attributes associated with the active or passive noise are determined. Further, an unsupervised machine-learning model, based on the values of the attributes, is utilized to determine noise characteristics for multiple sensors. The sensors are grouped in clusters based on the noise characteristics for each sensor. For multiple clusters, a noise filter is created based on the noise characteristics of the sensors in the cluster, and the noise filter of the cluster is applied, for multiple sensors, to the seismic traces of the sensor. Additionally, the filtered seismic traces are analyzed to determine a location of CO 2 underground.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Control-inspired design and power optimization of an active mechanical motion rectifier based power takeoff for wave energy converters

Ocean waves have high energy density and are persistent and predictable. Yet, converting wave energy to a useable form remains challenging. A significant hurdle is the oscillatory nature of waves resulting in the alternating loads, which necessitate the use of rectification at some stage of the energy conversion. This research effort presents a novel design of active mechanical motion rectifier (AMMR) for the power takeoff (PTO), which provides enhanced controllability and better power performance when compared to passive mechanical motion rectifiers (MMR). Inspired by transistors used in synchronous electrical rectifiers, the proposed design uses controllable electromagnetic clutches in the mechanical transmission to allow active engagement-disengagement control; thus, rectifying the oscillatory motion into a unidirectional rotation for high energy conversion efficiency and allowing the generator in unidirectional rotation to control the bidirectional wave capture structure for maximizing the power output. A semi-analytical computational approach is developed to efficiently evaluate the optimal power achieved using the proposed AMMR-based PTO and active control. It is found that the AMMR-based PTO design yields a higher optimal power than the previous passive MMR design across the wave spectrum. The influences of generator inertia and reactive power are discussed. Furthermore, the effects of control parameters on the power output and the optimal trajectories are analyzed. Wave tank tests with the AMMR prototype demonstrated the effectiveness of AMMR based PTO design and validated the numerical analysis.

16 TIDAL AND WAVE POWER↗
DOE OSTI2020

Topological structure and dynamics of three-dimensional active nematics

Topological structures are effective descriptors of the nonequilibrium dynamics of diverse many-body systems. For example, motile, point-like topological defects capture the salient features of two-dimensional active liquid crystals composed of energy-consuming anisotropic units. We dispersed force-generating microtubule bundles in a passive colloidal liquid crystal to form a three-dimensional active nematic. Light-sheet microscopy revealed the temporal evolution of the millimeter-scale structure of these active nematics with single-bundle resolution. The primary topological excitations are extended, charge-neutral disclination loops that undergo complex dynamics and recombination events. Our work suggests a framework for analyzing the nonequilibrium dynamics of bulk anisotropic systems as diverse as driven complex fluids, active metamaterials, biological tissues, and collections of robots or organisms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Surveillance Test Articles Development

Material degradation in Advance Test Reactors (ATR) is governed by irradiation, corrosion, elevated temperature exposure and cyclic mechanical creep-fatigue loads. This degradation information during reactor operation condition is limited. Hence, material damage monitoring is a key aspect of the design, analysis and licensing of ATR components. The idea is to monitor material component operation conditions of component by using a surveillance test article. This test article is fabricated with bi-metal configuration with two different thermal expansion coefficients, and design is motivated by Simplified Model Test (SMT) specimen which can capture structure-like mechanical response. Upon raising temperature of the bi-metal test article configuration, expansion mismatch results tensile load on specimen. Thus, temperature dependent passively actuated loading is achieved. The idea is to place this surveillance test article in reactor at location ‘x’ to surveil the mechanical response at critical location ‘y’. By calibrating the test article design, material degradation at critical location can be surveilled through assessing the degradation in surveillance test article. This study presents test article development with different material combinations and follow-up experimental testing work through passively loading test article with temperature history. The test article geometry and observed test results are presented in presentation slides.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Methods for ultraviolet excitation microscopy of biological surfaces

Microscopy with Ultraviolet Surface Excitation (MUSE) for use in the classroom to enhance life sciences education and curricula, or for other applications, including without limtiation the operating room, other medical environments, research environments, and low resource environments. MUSE's suitability is based on multiple key factors including its simplicity of use, the incorporation of inexpensive hardware including LED illumination, and very basic tissue preparation. The ultraviolet excitation acts as passive optical sectioning confining the generated fluorescence signal to only a few micrometers below the tissue surface thus eliminating the out of focus signals. This facilitates image capture of tissue microstructure and organization from specimens at the intact or sliced surface arising from varying fluorophore concentration within the different cellular compartments. Although just the tissue auto fluorescence maybe used, image quality is enhanced with brief application of nontoxic fluorescent dyes to selectively highlight cellular compartments. Sample preparation is safe, efficient and familiar to students with basic chemistry or biology lab experience. Mixed-dye powders may be used to simplify translation of this method for educational, medical, research, low resource, and other settings.

Demos, Stavros G.↗
DOE OSTI2026

Advanced blade-shaped thermal energy storage device: Development and application

Thermal energy storage (TES) using phase change materials (PCMs) is a promising approach for capturing and reusing excess thermal energy, yet widespread adoption is limited by low thermal conductivity, bulky configurations, and inadequate scalability. Here, this study presents a modular, blade-shaped TES prototype designed to address these challenges. The device integrates a lightweight aluminum shell, an embedded serpentine coil for active or passive heat exchange, and a cost-effective corrugated metal mesh for enhanced PCM thermal conductivity. With thickness-to-length and thickness-to-width ratios of 0.03 and 0.08, respectively, the blade-shaped TES achieves a compact, modular form factor suitable for space-constrained applications. Experimental testing demonstrated the efficient charge and discharge behavior of blade-shaped TES, capturing PCM superheating, phase-change transitions, and subcooling dynamics, with charging and discharging efficiencies of 94.9% and 94.6%, respectively. Also, the system can potentially achieve higher energy density than that of conventional TES designs. When integrated into a household refrigerator during the study, three blade-shaped TES modules successfully shifted 100% of peak-time compressor operation to off-peak hours, reducing energy consumption while maintaining more stable compartment temperatures. The blade-shaped TES's thin geometry, modularity, and enhanced thermal performance support scalable deployment across residential, commercial, and industrial applications, providing a versatile, cost-effective solution for high-efficiency, demand-flexible thermal energy management.

Blade-shaped↗
DOE OSTI2021

Implementation of a Drift-Flux Model in SAM for Modeling of Passively Transported GAS in Molten Salt Reactors

The Nuclear Energy Advanced Modeling and Simulation (NEAMS) program is further developing the Multiphysics Object Oriented Simulation Environment (MOOSE) system thermal hydraulics (T/H) code, System Analysis Module (SAM), to include modeling of molten salt reactor (MSR) designs. MSR designs in which the fuel is dissolved in the salt coolant poses unique modeling and simulation (M&S) challenges because fission products—some of which will be noncondensable gasses—travel with the coolant, thus allowing for deposition and interaction throughout the entire system flow loop. This behavior must be modeled to successfully understand MSR system behavior during normal and off-normal operation events. In past work, SAM has been extended to include a passive species transport capability for modeling of MSR fission products that travel with the salt coolant. This work extends the model to include a drift-flux model to capture the tendency of the gas phase to move at a different velocity than the bulk liquid. Additional constitutive models have also been added for calculation of gas volume fraction, bubble radius, and interfacial area, which will be important for calculation of species phase migration in future coupling activities. Testing has been performed to ensure that the new model agrees with expected values for several simple models, but additional future work will be required to test the model for more complex geometries that will be needed for full-scale MSR simulations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

Cathode-Confined Polysulfide Retention-Release Reprograms Li 2 S Deposition in High-Loading Li–S Batteries

High-loading lithium-sulfur (Li-S) cells operated with lean electrolyte are limited by polysulfide crossover to Li metal and by transport-limited liquid-solid conversion that forms passivating Li 2 S films. Here, we show that a cathode-facing separator coating of carboxylated multiwalled carbon nanotubes acts as a cathode-confined polysulfide reservoir with intermediate binding. Early in discharge it captures newly generated polysulfides at the separator interface, suppressing shuttle reactions. As polysulfides are consumed, the reservoir buffers concentration gradients and feeds reactants back to the cathode, shifting Li 2 S deposition from burst-like film growth to progressive, three-dimensional, porous formation. Synchrotron XRD and S K-edge XANES, together with Scharifker–Hills nucleation analysis and depth-of-discharge EIS/DRT, substantiate this coupled transport–reaction control. With 4.3 mg S cm -2 and E/S = 5, cells reach 4.2 mAh cm -2 and retain 90% capacity over 100 cycles at 20 °C.

25 ENERGY STORAGE↗
DOE OSTI2025

Time-Lapse Electromagnetic Methods for Monitoring Plume Development in a Carbon Storage Reservoir

Conference presentation at International Meeting for Applied Geoscience & Energy (IMAGE), Houston, Texas, August 25–28, 2025. The Energy & Environmental Research Center (EERC) is leading applied research on electromagnetic (EM) monitoring methods at an active carbon storage site in North Dakota. Injection operations at the site began in February 2024, with a permitted injection rate of up to 2.7 million tonnes of CO 2 annually using six injection wells. CO 2 is captured on-site and injected into the Broom Creek Formation, a predominantly sandstone reservoir and saline aquifer located at a depth of approximately 1800 meters. The EERC led acquisition of multiple active- and passive-source EM techniques between August and October of 2024 to provide a thorough understanding of the resistivity profile at the site.

02 PETROLEUM↗
DOE OSTI2020

Deposition pressure dependent structural and optoelectronic properties of ex-situ boron-doped poly-Si/SiO x passivating contacts based on sputtered silicon

Among common methods to form polycrystalline silicon (poly-Si) films for passivating-contact solar cells, physical vapor deposition, in particular sputtering, is the safest one as it does not require any toxic gaseous precursors. One of the critical parameters to control the properties of sputtered silicon films is their deposition pressure. In this work, structural and optoelectronic characteristics of ex-situ boron-doped poly-Si/SiO x passivating contacts, formed from sputtered intrinsic amorphous silicon (a-Si) deposited at different pressures on top of SiO x /c-Si substrates and subjected to a high-temperature boron diffusion step, are investigated. The deposition rate and density of the as-deposited a-Si films increase with reducing pressure. Low-temperature photoluminescence spectra captured from the as-deposited samples at different pressures do not show typical emissions from hydrogenated a-Si. Meanwhile, their Fourier-transform infrared absorption spectra all show Si–H stretching modes, indicating that hydrogen had been initially incorporated into the chemical SiO x layers and eventually hydrogenated the a-Si/SiO x interfaces during the sputtering process. After the high-temperature boron-diffusion step, all hydrogen-related peaks disappear. Lower pressure films (1.5 and 2.5 mTorr) show more consistent improved performance after hydrogen treatments, compared to higher pressure films (4 and 5 mTorr). Overall, the resultant passivating contacts at 2.5 mTorr achieve a low single-side recombination current density Jo of ~9 fA/cm 2 , whereas their contact resistivity is still low at 15 mO cm 2 .

14 SOLAR ENERGY↗
DOE OSTI2024

Puck Loop Seal (Final Project Technical Report)

Sandia National Laboratories (SNL) is advancing technical capabilities used in passive loop seals. The “Puck” seal used a set of International Atomic Energy Agency (IAEA) requirements for new passive loop seals published in 2020 as a design guide. The seal is based on an oxygen-sensitive inner mixture encased in an oxygen-impermeable shell, is monolithic rather than two-part, incorporates self-capturing wire features, contains colored water beads and bubbles formed during processing as unique identifiers (UIDs), and visually indicates tamper (whether from seal body penetration or from seal wire removal) by irreversibly changing the seal body from multi-colored to black. This paper will provide details on the design, development, and testing of Puck seal prototypes.

42 ENGINEERING↗
DOE OSTI2026

Novel thermal energy storage component: Development, performance, and phase transition diagnosis

Thermal energy storage (TES) using phase change materials (PCMs) is a promising technology for capturing and storing excess thermal energy for later use. However, challenges such as poor heat transfer efficiency and a lack of modular, scalable designs have limited widespread adoption of TES in real-world applications. This study developed and evaluated modular brick-type and blade-type TES prototypes featuring an aluminum housing, an embedded serpentine coil for active or passive thermal exchange, and a cost-effective metal mesh to enhance PCM thermal conductivity. The blade-type TES achieved notable geometric efficiency, with a thickness-to-length ratio of 0.03 and a thickness-to-width ratio of 0.08, enabling highly compact and modular thermal storage suitable for space-constrained applications. The paper presents a detailed evaluation of the TES prototypes’ performance. The comparative analysis indicated that the TES prototypes provide a highly cost-effective, thermally optimized alternative for compact energy storage and load shifting. A novel diagnostic technique was also introduced: using a portable endoscope to capture real-time visualizations of PCM phase transitions inside the TES. This method provides critical insights into internal heat transfer mechanisms, identifies potential issues, and offers valuable support for optimizing the TES design and developing the control algorithm. Overall, the modular brick-type and blade-type TES designs demonstrated in this work provide a scalable, efficient, and economically viable solution for advancing TES across residential, commercial, and industrial sectors. The designs’ compact structure, enhanced thermal performance, and integrated diagnostic capabilities make them strong candidates for future deployment in energy-efficient systems.

Gao, Zhiming [ORNL] (ORCID:0000000271397995)↗
DOE OSTI2021

Ultrafast Imaging of Molecules with Electron Diffraction

Photoexcited molecules convert light into chemical and mechanical energy through changes in electronic and nuclear structure that take place on femtosecond timescales. Gas phase ultrafast electron diffraction (GUED) is an ideal tool to probe the nuclear geometry evolution of the molecules and complements spectroscopic methods that are mostly sensitive to the electronic state. GUED is a passive probing tool that does not alter the molecular properties during the probing process and is sensitive to the spatial distribution of charge in the molecule, including both electrons and nuclei. Improvements in temporal resolution have enabled GUED to capture coherent nuclear motions in molecules in the excited and ground electronic states with femtosecond and subangstrom resolution. Here we present the basic theory of GUED and explain what information is encoded in the diffraction signal, review how GUED has been used to observe coherent structural dynamics in recent experiments, and discuss the advantages and limitations of the method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗