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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Field-Tunable Interactions and Frustration in Underlayer-Mediated Artificial Spin Ice

We report that artificial spin ice systems have opened experimental windows into a range of model magnetic systems through the control of interactions among nanomagnet moments. This control has previously been enabled by altering the nanomagnet size and the geometry of their placement. Here we demonstrate that the interactions in artificial spin ice can be further controlled by including a soft ferromagnetic underlayer below the moments. Such a substrate also breaks the symmetry in the array when magnetized, introducing a directional component to the correlations. Using spatially resolved magneto-optical Kerr effect microscopy to image the demagnetized ground states, we show that the correlation of the demagnetized states depends on the direction of the underlayer magnetization. Further, the relative interaction strength of nearest and next-nearest neighbors varies significantly with the array geometry. We exploit this feature to induce frustration in an inherently unfrustrated square lattice geometry, demonstrating new possibilities for effective geometries in two-dimensional nanomagnetic systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Morphology, Deformations, and Photocatalytic Activity of Thermally Treated Brookite Titanium Dioxide Thin Films

Metastable states, in which the coupling between long-range lattice deformations and electronic properties can be controlled, provide a pathway to tailoring the behavior of photocatalytic materials by directing the flow of photoinduced charge carriers. Brookite is a metastable polymorph of earth-abundant TiO 2 that exhibits photocatalytic function and, due to its high energy relative to the anatase and rutile polymorphs, may serve as a precursor for the formation of transitional metastable structures. In this work, facile thermal annealing is employed to promote the formation of predominantly brookite-phase films, regulate the brookite lattice distortions, and determine the effect of these distortions on charge separation, ultimately directed at enhancing photocatalytic activity. Profile fitting of X-ray diffraction patterns and peak shifts in Raman spectra revealed structural distortions of the brookite lattice. Structural defects, including lattice gliding, dislocations, stacking faults, and twin boundaries, were observed using scanning transmission electron microscopy. First-principles simulations reveal how the lattice distortions associated with stacking faults induce band bending, thus increasing the photocatalytic activity of brookite. In conclusion, this study provides insight into the microstructural tuning of metastable phases to enhance their unique functionalities.

band bending↗
DOE OSTI2024

Probing axion-like particles at the Electron-Ion Collider

Abstract The Electron-Ion Collider (EIC), a forthcoming powerful high-luminosity facility, represents an exciting opportunity to explore new physics. In this article, we study the potential of the EIC to probe the coupling between axion-like particles (ALPs) and photons in coherent scattering. The ALPs can be produced via photon fusion and decay back to two photons inside the EIC detector. In a prompt-decay search, we find that the EIC can set the most stringent bound form a ≲ 20 GeV and probe the effective scales Λ ≲ 10 5 GeV. In a displaced-vertex search, which requires adopting an EM calorimeter technology that provides directionality, the EIC could probe ALPs withm a ≲ 1 GeV at effective scales Λ ≲ 10 7 GeV. Combining the two search strategies, the EIC can probe a significant portion of unexplored parameter space in the 0.2 a< 20 GeV mass range.

Physics↗
DOE OSTI2020

The Tidal Clock Effects of the Lunisolar Gravitational Field and the Earth’s Tidal Deformation

State-of-the-art atomic and optical clocks have the great potential to precisely test fundamental physical assumptions and enhance our understanding of nature. Their widespread applications require us to rigorously deduce the relativistic frequency shift in the framework of general relativity. One interesting question for clocks is tidal field effect which contains variously periodic variations. By introducing tidally deformed Earth, the general algorithms for clock and frequency comparisons are derived. We investigate the effects of external gravitational bodies and Earth’s tidal deformation on the ground- and space-based clocks. The orbital elements of satellite and locations of laboratory are introduced for corresponding clocks, in which the secular and long-period terms and short-period terms are subsequently presented. These effects called tidal clock effects produce the non-negligible contributions in the modern clock experiments and can be directly evaluated from our parameterized formulas. In addition, we also demonstrate for tidal clock effects the position and distance dependences, as well as periodicity. These tidal effects and dependences can provide valuable information for the clock comparison experiments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Mixed field theory

We consider scalar field theory defined over a direct product of the real and p-adic numbers. An adjustable dynamical scaling exponent z enters into the microscopic lagrangian, so that the Gaussian theories provide a line of fixed points. We argue that at z = 1/3, a branch of Wilson-Fisher fixed points joins onto the line of Gaussian theories. We compute standard critical exponents at the Wilson-Fisher fixed points in the region where they are perturbatively accessible, including a loop correction to the dynamical critical exponent. We show that the classical propagator contains oscillatory behavior in the real direction, though the amplitude of these oscillations can be made exponentially small without fine-tuning parameters of the theory. Similar oscillatory behavior emerges in Fourier space from two-loop corrections, though again it can be highly suppressed. We also briefly consider compact p-adic extra dimensions, showing in non-linear, classical, scalar field theories that a form of consistent truncation allows us to retain only finitely many Kaluza-Klein modes in an effective theory formulated on the non-compact directions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

A two-directional vibrational probe reveals different electric field orientations in solution and an enzyme active site

We report the catalytic power of an electric field depends on its magnitude and orientation with respect to the reactive chemical species. Understanding and designing new catalysts for electrostatic catalysis thus requires methods to measure the electric field orientation and magnitude at the molecular scale. We demonstrate that electric field orientations can be extracted using a two-directional vibrational probe by exploiting the vibrational Stark effect of both the C=O and C–D stretches of a deuterated aldehyde. Combining spectroscopy with molecular dynamics and electronic structure partitioning methods, we demonstrate that, despite distinct polarities, solvents act similarly in their preference for electrostatically stabilizing large bond dipoles at the expense of destabilizing small ones. In contrast, we find that for an active-site aldehyde inhibitor of liver alcohol dehydrogenase, the electric field orientation deviates markedly from that found in solvents, which provides direct evidence for the fundamental difference between the electrostatic environment of solvents and that of a preorganized enzyme active site.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Exploring Electrocatalysis of Methane on Transition Metal Surfaces

Methane is a potent greenhouse gas because it has a heat-absorbing ability that is 20 times stronger than the better-known carbon dioxide. It is also the dominant component of nature gas (>70%). Its current greenhouse effect is only second to carbon dioxide largely because of its relatively low atmospheric concentration. Alarmingly, however, the latter has seen a 1.5-time increase since 1750, mainly due to anthropogenic livestock farming, coal and natural gas mining, and organic matter decomposing in waste landfills. Mitigating such a trend effectively and efficiently is therefore highly desirable and intensely sought for. This final technical report describes some exciting research progresses made over the last three years supported financially by the aforementioned award. The research conducted focused on exploring electrochemical direct methane to methanol (DMTM) conversion under mild conditions. The goal of research was to explore the possibility of developing potentially game-changing electrocatalysts and electrocatalysis that can convert methane directly to methanol in a most sustainable way for curbing its effect on global warming. Progress has been made in the following three directions. First, by adapting a hydrogen fuel-cell configuration that enables gaseous methane to be transported directly to the electrocatalyst surface, we have overcome the perennial difficulty in measuring activity of methane electro-oxidation at low temperature and ambient pressure that has prevented any meaningful studies of electrocatalysis of methane conversion thus far. Second, we have developed a novel and operational in situ electrochemical infrared (IR) spectral cell for studying electrocatalysis of direct methane to methanol conversion. This novel cell is also expected to alleviate the measuring difficulty caused by low solubility of methane in aqueous electrolyte and low sticking coefficient for methane adsorption onto transition metal surface. It will improve significantly the IR’s signal to noise ratio. Third, we have successfully synthesized nano-sizing copper (Cu) exchanged zeolite mordenite (Cu-ZMOR) and coated it with carbon that enabled electrochemical access to the encaged Cu ions. This opens a door to unravel the chemistry of Cu ions in catalyzing direct methane to methanol conversion under mild experimental conditions. Altogether, these progresses achieved have laid a solid foundation for further exploring electrocatalysis of direct methane to methanol conversion in general where there exists “a plenty of room” for new discoveries and developments.

03 NATURAL GAS↗
DOE OSTI2021

Versatile feature learning with graph convolutions and graph structures

Graphs represent real world relationships, and graph embedding projects nodes in a graph to a latent space that can help simplify downstream tasks. Recent development of graph convolutions in deep learning significantly improves the performance of many learning tasks on graphs. Unfortunately, prior embedding methods either do not embed graphs with node features, or fail to produce high-quality embeddings for downstream learning tasks that result in large performance gap in comparison to direct learning on graphs.We present a versatile and effective embedding method, Conv2Vec, for embedding graphs with or without node features. It is based on graph convolutions with objective functions motivated by concepts and structures from classical graph algorithms. Conv2Vec produce high-quality embedding for both plain graphs and graphs with node features for downstream tasks.We evaluate the embeddings generated by Conv2Vec with a transductive node classification task. With the generated embeddings and very simple machine learning approaches, we are able to achieve accuracies similar to those achieved by direct learning with graph convolutions. Interestingly, if we strip the node features from the graph and thus learning an embedding has to rely entirely on the graph topology, node classification with our embedding significantly outperforms direct learning with various graph convolutions. This suggests that structures from classical graph algorithms may play an important role in learning on graphs.

Cong, Guojing↗
DOE OSTI2024

A Comprehensive Strategy for Grid Forming Control in DC Coupled Photovoltaic and Battery Energy Storage Inverters

This paper presents an integrated DC-DC and DCAC grid-forming control strategy for DC-coupled photovoltaic (PV) plus battery energy storage systems, considering the effect of DC link voltage variations caused by direct PV connections. A power reference algorithm determines power distribution between the PV and battery to the grid while observing device power ratings to prevent the over-rating of components and keep the battery's state of charge within an acceptable range. The simulated utility-scale model in MATLAB/Simulink illustrates its ability against extreme phase angle variation contingencies in the grid while controlled through grid-forming control with a fast dynamic on DC link voltage. The simulation results confirm the effectiveness of the proposed control in integrating PV plus battery configurations with grid forming control and maintaining reliable grid operation under severe grid disturbances.

battery, boost, control, energy storage, grid form↗
DOE OSTI2025

Strength and thermal shock resistance of porous reaction-bonded silicon nitride by direct nitriding of binder jet additively manufactured silicon

The direct nitridation of binder jet additively manufactured silicon to produce porous silicon nitride was explored. The Taguchi Design of Experiments method was used to systematically study the effect of time, temperature, and nitrogen flow rate on the direct nitriding of binder jet additively manufactured silicon to produce porous reaction-bonded silicon nitride (RBSN). Highly porous (61%) samples with high conversion (99%) to silicon nitride were achieved using a thermal profile that utilized two isothermal holds. Further, it was shown that these samples exhibited thermal shock resistance and a low coefficient of thermal expansion. These results indicate that RBSN is readily achievable through additive manufacturing.

Ceramics↗
DOE OSTI2020

In Situ Characterization of the Effect of Twin-Microstructure Interactions on {$1 0 \bar{1} 2$} Tension and {$1 0\bar {1} 1$} Contraction Twin Nucleation, Growth and Damage in Magnesium

Through in situ electron backscatter diffraction (EBSD) experiments, this paper uncovers dominant damage mechanisms in traditional magnesium alloys exhibiting deformation twinning. The findings emphasize the level of deleterious strain incompatibility induced by twin interaction with other deformation modes and microstructural defects. A double fiber obtained by plane-strain extrusion as a starting texture of AM30 magnesium alloy offered the opportunity to track deformation by EBSD in neighboring grains where some undergo profuse {$1 0\bar {1} 2$} twinning and others do not. For a tensile loading applied along extrusion transverse (ET) direction, those experiencing profuse twinning reveal a major effect of grain boundaries on non-Schmid behavior affecting twin variant selection and growth. Similarly, a neighboring grain, with its $\langle$c$\rangle$-axis oriented nearly perpendicular to tensile loading, showed an abnormally early nucleation of {$1 0\bar {1} 1$} contraction twins (2% strain) while the same {$1 0\bar {1} 1$} twin mode triggering under $\langle$c$\rangle$-axis uniaxial compression have higher value of critical resolved shear stress exceeding the values for pyramidal $\langle$c + a$\rangle$ dislocations. The difference in nucleation behavior of contraction vs. compression {$1 0\bar {1} 1$} twins is attributed to the hydrostatic stresses that promote the required atomic shuffles at the core of twinning disconnections.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Complex Fluorine Chemical Potential Effects on the Shape and Compositional Heterogeneity of KTa 1– x Nb x O 3 Nanoparticles

When kinetic conditions dominate and dictate the growth in a nanoparticle synthesis, properties of the synthesis environment can have considerable effects on the properties of the products. Such effects were studied here, where the solution environment was changed via the addition of KF to the hydrothermal syntheses of KTa 1– x Nb x O 3 and KTaO 3 . One result demonstrated the straightforward cause-and-effect relationship between the solution and reaction kinetics: KF directly increased the solution stability of the Ta species and therefore decreased its reaction rate, resulting in a change in composition heterogeneity of Ta and Nb in the KTa 1– x Nb x O 3 particles. However, not all effects are so simple; changing the chemical potential of the solution with KF can also promote the formation of particles with anisotropic defect enhanced kinetic Wulff shapes instead of cuboidal shapes. The increased F chemical potential in the solution enabled the formation of planar defects in the bulk, which accelerated growth in-plane to form particles characterized by flat rectangular flake geometries. In this work, thermodynamic modeling with density functional theory calculations confirmed that sufficient KF concentrations can drive the formation of a defect phase K n +1 Ta n O 3 n F.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Silica-modifying chemical admixtures for directed zeolitization of metakaolin-based alkali-activated materials

The effect of using trimethyladamantyl-ammonium hydroxide (TMAAOH) as a silica-modifying admixture to induce early-age mineralization during alkali-activation of metakaolin was investigated and reported herein. In all material formulations, the use of TMAAOH induced early-age mineralization, increased mixture stiffening in the fresh state, and lowered total heat of reaction. In activating solutions with silica moduli above unity (Ms >1.0), mineralogy results demonstrate that TMAAOH induces the nucleation and growth of metastable zeolitic phases, which correlated with increased permeability and increased plastic shrinkage of the paste. When TMAAOH was added to activating solutions with silica moduli near unity (Ms ~1.0), the controlled formation of crystalline, silica-rich faujasite was observed, which correlated with reduced permeability and lower plastic shrinkage. Together, these results demonstrate for the first time that silica-templating agents such as TMAAOH can be exploited in the design of new chemical admixtures that directly influence the dynamics of zeolitization in alkali-activated materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Latent image volumetric additive manufacturing

We report volumetric additive manufacturing (VAM) enables rapid printing into a wide range of materials, offering significant advantages over other printing technologies, with a lack of inherent layering of particular note. However, VAM suffers from striations, similar in appearance to layers, and similarly limiting applications due to mechanical and refractive index inhomogeneity, surface roughness, etc. We hypothesize that these striations are caused by a self-written waveguide effect, driven by the gelation material nonlinearity upon which VAM relies, and that they are not a direct recording of non-uniform patterning beams. We demonstrate a simple and effective method of mitigating striations via a uniform optical exposure added to the end of any VAM printing process. We show this step to additionally shorten the period from initial gelation to print completion, mitigating the problem of partially gelled parts sinking before print completion, and expanding the range of resins printable in any VAM printer.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Thermoelectrics: From longitudinal to transverse

Thermoelectric power generation is a promising technology to realize a sustainable society because it directly converts thermal energy into electricity in a solid. Conventional thermoelectric generation is driven by the Seebeck effect, discovered by T.J. Seebeck in 1821, in which a charge current J c is generated in the direction parallel to a temperature gradient ∇T, the longitudinal geometry. Here, the ratio between the generated longitudinal electromotive force and applied ∇T is defined as the Seebeck coefficient. As shown in Figure 1A, a thermoelectric module based on the Seebeck effect typically consists of many pairs (128 for a 12V unit) of p-type and n-type conductors alternately arranged and connected in series. Since the Seebeck coefficient of a p-type (n-type) conductor is positive (negative), the thermopower in each element adds to the total output in the Seebeck module. This configuration is needed to achieve a practical voltage because each element only supplies millivolts but limits the use of thermoelectric generators. The efficiency of thermoelectric generators is characterized by the thermoelectric figure of merit, zT. Despite a 3-fold improvement in zT resulting from materials research over the last two decades, little progress has been made in their practical use; this is ascribed to the technological challenges in contact technology. The contacts on the hot side are subject to thermal degradation. All contacts (512 for a 12V unit) add electrical and thermal contact resistances that reduce the device efficiency to a fraction of that promised by the materials.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Cryogenic Carbon Capture™ (CCC) Status Report

The Cryogenic Carbon Capture™ (CCC) process separates CO2 from light gases in essentially any continuous process. CCC cools the gases to the frost or desublimation point of CO2 (-100 to -135 °C), separates and pressurizes the solids, and warms all streams to produce a CO2-depleted stream at ambient pressure and a pure (99+%) pressurized liquid CO2 stream typically to about 150 bar, both at ambient temperature. The process also recovers all gas moisture and most gas impurities less volatile than CO2 (NOx, SOx, Hg, PM, UHC, CCC, etc.) in separable streams. CCC nearly eliminates refrigeration energy for sensible temperature changes through heat integration. CCC does require energy to change the CO2 phase from a mixed vapor to a pressurized fluid, which represents the minimum energy required of any process for this separation. CCC uses additional energy for turbomachinery inefficiencies, heat losses, moisture removal and overall process pressure drop. Aside from these real-world energy demands, CCC operates near the minimum energy required to perform this gas separation by minimizing stream recycling. CCC compresses CO2 as a liquid, which is one of several reasons it costs about about half as much and consumes about half as much energy as an amine process when using flue gases with about 15% CO2. The process also has several major additional advantages, including (a) it is a bolt-on retrofit technology that does not need steam or any modification of existing equipment, (b) it recovers water and nearly all pollutants in addition to CO2 from the flue gas, (c) it enables highly efficient and cost effective energy storage at grid scale and on time scales of minutes, (d) it enables NG storage if the energy storage option is used, and (d) it has a small footprint and is minimally disruptive to existing plants, requiring only electrical power and a gas source to operate. Sustainable Energy Solutions (SES) has scaled this technology through several levels, the largest of which captures nominally 1 tonne of CO2/day and is called the skid system. Skid system field tests include utility-scale power plants, cement plants, heating plants, and other utility or industrial sites that burn natural gas, biomass, coal, shredded tires, municipal waste, and combinations of these fuels. These field tests produced 95-99% CO2 capture with CO2 purities of 99+% and initial CO2 contents that range from 4 to 28%. SES currently seeks to scale the system to merchant scale (10-80 tonnes of CO2 per day). In the process of doing so, SES has demonstrated the potential for CCC to contribute to energy storage and direct air capture in innovative and cost-effective ways. This presentation discusses the overall process and highlights results from field and in-house tests. These include (a) measured CO2 capture rates and operating conditions from in-house and field tests, and (b) predicted utility-scale costs and energy demands. This discussion also includes the application of the CCC technology to energy storage and direct air capture.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2026

Low Temperature Oxygen Activation on the NiAg(100) Single-Atom Alloy Surface

Silver-catalyzed ethylene epoxidation remains the only industrially viable route for ethylene oxide (EO) production. However, this process requires chlorine and other promoters to achieve a high EO selectivity while still generating substantial CO 2 emissions. A recent theory-guided approach identified Ni, in single-atom alloy (SAA) form, as a new promoter of this reaction. Specifically, the addition of Ni to Ag nanoparticles supported on α-Al 2 O 3 at a highly diluted ratio (1 Ni per 200 Ag atoms) increased catalyst selectivity to EO by ∼25%, the same increase afforded by the ubiquitous industrial promoter chlorine. To better understand the effect of Ni, we investigated the interaction of O 2 with NiAg(100) SAA surfaces by using scanning tunneling microscopy (STM) and density functional theory (DFT). While only molecular O 2 was present when pure Ag(100) was exposed to O 2 at 78 K, a distinct NiO 2 species, indicative of O 2 dissociation at Ni atom sites, was identified on the NiAg(100) SAA under the same conditions. High-resolution STM imaging backed by DFT simulations elucidated the formation of an O−Ni−O species with the oxygen atoms in 4-fold hollow sites. These findings provide direct experimental evidence that Ni atoms are very effective at O 2 activation, even at cryogenic temperatures. This suggests that, in addition to the known role of Ni in stabilizing the unselective nucleophilic oxygen on Ag, it could also accelerate O 2 dissociation, which can be rate limiting.

Catalysts↗
DOE OSTI2025

Indium Tin-Doped Oxide Interactions with Solvent Radiolysis Products

Transparent conductive oxides (TCOs), such as indium tin-doped oxide (ITO), are ubiquitous as components of electronics and are ideal electrode substrates for catalysis, energy transformation reactions, and energy storage applications. Recently, researchers have recognized their effectiveness as electrode materials for manipulating actinide oxidation states in solution. Despite their popularity as electrode materials, prior studies focused extensively on the direct radiolysis of TCO materials in air and rarely examined these effects within a solution, limiting our fundamental understanding of the interactions between solvent radiolysis products and these substrates in high radiation environments. Here, in this study, we characterize the effects of solvent radiolysis products—arising from the gamma irradiation of water, aqueous nitric acid solutions, and n-dodecane—on the composition, surface speciation, and band structure of ITO thin films on a glass substrate as a function of absorbed dose using UV-visible spectroscopy, scanning electron microscopy, photoelectrochemistry, and X-ray photoelectron spectroscopy. Our work demonstrates that mesoporous thin film electrodes of ITO exposed to gamma radiation in each solvent accumulate defects and exhibit solvent and dose dependent changes to their surface and interfacial properties. These electrodes maintain their electrochemical function and improve their photoelectrochemical performance up to at least 100 kGy of accumulated gamma dose, confirming their utility in solvents exposed to ionizing radiation fields.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗