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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Durable, High-Performance Unitized Reversible Fuel Cells Based on Proton Conductors

The main objective of this project was to develop robust, highly efficient, and economically viable H + -conducting membrane-based, unitized reversible fuel cell (H-URFC) technology for large-scale co-located energy storage and power generation. Another objective of this project is to gain a profound understanding of the degradation mechanisms of key stack materials and interfaces using various in situ, ex situ, and operando measurements guided by theoretical analysis. Nanostructured components will be integrated into cell design and the interfaces between electrodes and electrolyte will be modified with active bi-functional catalysts and protective coatings in order to achieve >70% roundtrip efficiency at 1 A/cm2 in both the fuel cell and the electrolysis modes. The end goal of the project is to advance the technology to the point that a university-industry collaboration can be established to scale up the technology for early adoption, and eventually enabling a pathway to large-scale energy storage that utilizes chemical storage and conversion for electrical grid balancing.

08 HYDROGEN↗
DOE OSTI2023

Computer-controlled finishing via dynamically constraint position-velocity-time scheduler

In a Computer Numerical Controlled (CNC) finishing process, the target material removal from an optical surface is guided by the convolution between the influence function of a machine tool and its dwell time at certain points over the surface. To reduce dynamics stressing and increase machining efficiency, the dwell time must be converted to varying velocities, which are the actual inputs to the machine tool controller. Conventionally, the conversion assumed constant acceleration and relied on linear motion interpolation, which caused discontinuities in velocities. This unsmooth motion affects the material removal distribution, and, thus, the accuracy of the finished surface shape. Many modern CNC machines support the smoother, cubic-polynomial interpolated Position-Velocity-Time (PVT) motion mode; however, the conventional scheduler may fail to provide suitable velocities for the PVT. Here in this study answers this challenge by proposing a novel PVT-based velocity scheduler that achieves smooth motion while considering CNC dynamic limits. Firstly, the principle of the PVT is explained, and the PVT-based velocity scheduler is formulated. Secondly, a quadratic programming is used to optimize the velocities by imposing the CNC dynamic constraints and the C 1 continuities (zeroth and first derivatives are continuous) simultaneously. Thirdly, the smoothness and accuracy of the scheduled velocities are studied on different kinds of tool paths via simulation. Finally, a sub-0.3 nm level surface finishing experiment using ion beam figuring is demonstrated to verify the feasibility of the proposed method. The PVT-based scheduler and simulator code is open-sourced.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Structural color from a coupled nanowire pair beyond the bonding and antibonding model

Optical resonances in nanostructures can be harnessed to produce a wide range of structural colors. Conversely, the analysis of structural colors has been used to clarify the nature of optical resonances. Here, we show that silicon nanowire (NW) pairs can display a wide range of structural colors by controlling their radiative coupling. This is accomplished by exciting a series of Fabry–Pérot-like modes where light is repeatedly scattered between two NWs. These modes are beyond the expectation from the conventional chemical bonding model under a quasi-electrostatic approximation, in which only bonding and antibonding modes can be formed in a pair system through modal hybridization. The additional eigenmodes found in a two-resonator system originate from the nonlinear, frequency-dependent coupling strength derived from the radiative nature of low- Q resonators. The Fabry–Pérot modes can be tuned across the entire visible frequency range by varying the distance between two NWs, leading to what we believe is a new type of universal building blocks that can provide structural color within a subwavelength footprint. The presented results pave the way toward the design and usage of highly tunable resonances that exploit the radiative coupling of high-index nanostructures.

Li, Qitong↗
DOE OSTI2026

Engineering Thermally Resilient and Kinetically Active Reversible Protonic Ceramic Cells via Interfacial Design

Achieving concurrent fast electrode kinetics and long-term thermo-mechanical durability remains a critical challenge for reversible protonic ceramic electrochemical cells (R-PCECs). Herein, we report an interfacial engineering strategy that integrates a perovs.kite-type PrBaRu0.1Co1.9O5+δ (PBRC) nanoparticle layer onto a PrBa0.5Sr0.5Co1.5Fe0.5O5+δ (PBSCF) substrate (PBRC-PBSCF), together with a modified pellet-assisted sintering approach to fabricate dense BaZr0.4Ce0.4Y0.1Yb0.1O3-δ (BZCYYb4411) electrolytes. The in situ reconstructed heterointerface enhances oxygen reduction/evolution reaction (ORR/OER) kinetics, promotes H2O adsorption/dissociation, and improves steam tolerance, as verified by electrochemical measurements and interfacial microstructural analyses. Density functional theory reveals that Ru-induced electronic modulation at the PBRC-PBSCF interface lowers the energy of oxygen vacancy formation and optimizes the position of the O 2p band center, thereby accelerating oxygen redox kinetics and stabilizing the interface. The resulting R-PCECs deliver an excellent peak power density of 1.112 W cm−2 and an electrolysis current density of −1.257 A cm−2 at 1.3 V in 3% H2O wet air at 600°C, with a reasonable faradaic efficiency. Furthermore, the cells demonstrate excellent stability, sustaining 100 h of thermal cycling (400–600°C, 200°C h−1) in both fuel cell and electrolysis modes, with 600 h of stability in electrolysis mode (600°C, −0.5 to −2 A cm−2).

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

Topologically trivial gap-filling in superconducting Fe(Se,Te) by one-dimensional defects

Abstract Structural distortions and imperfections are a crucial aspect of materials science, on the macroscopic scale providing strength, but also enhancing corrosion and reducing electrical and thermal conductivity. At the nanometre scale, multi-atom imperfections, such as atomic chains and crystalline domain walls have conversely been proposed as a route to topological superconductivity, whose most prominent characteristic is the emergence of Majorana Fermions that can be used for error-free quantum computing. Here, we shed more light on the nature of purported domain walls in Fe(Se,Te) that may host 1D dispersing Majorana modes. We show that the displacement shift of the atomic lattice at these line-defects results from sub-surface impurities that warp the topmost layer(s). Using the electric field between the tip and sample, we manage to reposition the sub-surface impurities, directly visualizing the displacement shift and the underlying defect-free lattice. These results, combined with observations of a completely different type of 1D defect where superconductivity remains fully gapped, highlight the topologically trivial nature of 1D defects in Fe(Se,Te).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Effect of Molecular Conformation on Intermolecular Interactions and Photovoltaic Performances of Giant Molecule Acceptors

The molecular conformation of giant molecule acceptors (GMAs) plays a significant role in regulating the intermolecular interactions and their photovoltaic performances in organic solar cells (OSCs). For the linear GMA GT‐l, the stronger homo‐molecular interaction causes its aggregation being weakly affected by the donor, thus forming an ordered molecular stacking and proper phase separation in its blend film. The star‐shaped GMA GT‐s‐based blend film shows a dominant hetero‐molecular interaction that suppresses the aggregation of the donor and acceptor, resulting in smaller phase separation and more uniform vertical phase distribution. While for another star‐shaped GMA GTs, the weakest hetero‐molecular interaction causes its blend film to form larger phase separation. Therefore, the GT‐l based OSC with PM6 as donor shows the highest charge mobilities, the fastest charge transfer (CT) process, reduced energy loss and less charge recombination, contributing to a higher power conversion efficiency (PCE) of 19.03%. Comparatively, the PCEs of the OSCs based on GTs and GT‐s are 18.05% and 17.58% respectively. Notably, all the three GMAs based OSCs show excellent thermal stability and long‐term storage stability. This study provides a facile strategy by tuning the linking unit and its connecting mode for designing highly efficient and stable organic photovoltaic materials.

Chemistry↗
DOE OSTI2025

Glycerol Adsorption on TiO 2 Surfaces: A Systematic Periodic DFT Study

Abstract Conversion of glycerol to added‐value products is desirable due to its surplus during biodiesel synthesis. TiO 2 has been the most explored catalyst. We performed a systematic study of glycerol adsorption on anatase (101), anatase (001), and rutile (110) TiO 2 at the Density Functional Theory level. We found several adsorption modes on these surfaces, with anatase (101) being the less reactive one, leading to adsorption energies between −0.8 and −0.4 eV, with all adsorptions molecular in nature. On the contrary, anatase (001) is the most reactive surface, leading to both molecular and dissociative adsorption modes, with energies ranging from −4 to −1 eV and undergoing severe surface reconstructions in some cases. Rutile (110) also shows both molecular and dissociative adsorptions, but it is less reactive than anatase (001). Surfaces with oxygen vacancies affects the adsorbed states and energies. The electronic structure analysis reveals that glycerol adsorption mainly affects the band gap of the material and not the individual contributions to the valence and conduction band. Bader charge analysis shows that strong adsorption modes on anatase (001) and rutile (110) are associated with large charge transfer from glycerol to the surface, while weak and molecular adsorption modes involve low charge transfer.

Chemistry↗
DOE OSTI2021

Electrochemically Engineered, Highly Energy-Efficient Conversion of Ethane to Ethylene and Hydrogen below 550 °C in a Protonic Ceramic Electrochemical Cell

Ethylene is one of the largest building blocks in the petrochemical industry, mainly produced by steam cracking of ethane derived from naphtha or shale gas at high temperatures (>800 °C). Despite its technical maturity and economic competitiveness, the thermal steam cracking of ethane is highly energy-intensive. In this work, an electrochemically engineered direct conversion process of ethane to produce hydrogen and ethylene using a planar protonic ceramic membrane reactor with a bi-functional three-dimensional catalytic electrode is reported, with a single-pass ethane conversion of 40% and ethylene yield of 26.7% at 550 °C. Compared with the industrial ethane steam cracking, this method saves process energy input by 45.1% and improves process energy efficiency by 50.6%, based on comprehensive process simulation using Aspen Plus software. Further, steam electrolysis treatment under the solid oxide electrolysis cell mode can regenerate the system’s catalytic performance and significantly alleviate catalytic degradation by 74%, demonstrating high techno-economic viability.

bi-functional electrode↗
DOE OSTI2020

Computationally efficient evaluation of optimum homogeneous charge compression ignition operating range with accelerated multizone engine cycle simulation

The very intensive calculations necessary to define a performance map requiring evaluation of over a hundred individual operating points can be efficiently conducted with accelerated multizone for engine cycle simulation, leading to a definition of regions of acceptable and optimum homogeneous charge compression ignition operation. Accelerated multizone for engine cycle simulation has the virtue of enabling accurate evaluation of many operating conditions based on thermal stratification data from a single fluid mechanics run at motored conditions. This is possible because thermal stratification is more sensitive to engine geometry than to operating conditions. In this article, accuracy of accelerated multizone for engine cycle simulation is demonstrated by comparison with experimental data for iso-octane homogeneous charge compression ignition operation over a broad range of lean equivalence ratios (0.14–0.28). The validated accelerated multizone for engine cycle simulation model is then applied to generating a performance map for an engine controlled by appropriately adjusting equivalence ratio and internal exhaust gas recirculation. Regions of acceptable and optimum combustion are identified. It is finally demonstrated that while indicated mean effective pressure remains low for optimum homogeneous charge compression ignition operation (1–4 bar), this is sufficient for a large fraction of typical driving in light-duty vehicles. Much driving including idle can therefore be done in homogeneous charge compression ignition mode at high efficiency and low (essentially zero) NOx and particulate matter emissions.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Predictable third harmonic generation in GaAs metasurfaces through group theory inverse design of meta-atoms

Here we report the group theory-based inverse design of meta-atoms for a dielectric metasurface in GaAs with predictable optical linear response and third harmonic generation (THG). Six sharp Fano resonances have been observed with a corresponding polarization dependence as predicted by group theory and the meta-atom’s symmetry in the D2h point group. THG has been observed for two modes under x-polarization excitation and one mode for y-polarization, in agreement with theoretical symmetry predictions. The polarization-dependent THG aspect ratio was observed to reach as high as 108. Through strategic structural or symmetry-preserving perturbations, it was shown that the THG can be enhanced or reduced by a factor of 7. The highest THG conversion efficiency was estimated to be 3.1×10-7 at the pump intensity of 1.51 MW/cm2. This high THG conversion efficiency indicates that our group theory approach to modal engineering opens a new path towards optical nonlinearity tuning in dielectric metasurfaces.

Aoueille, Andrew↗
DOE OSTI2022

Data-Centric Approach to Capture Non-Polynomial Nonlinear Dynamics

We propose an analytical construction of observable functions in the extended dynamic mode decomposition (EDMD) algorithm. EDMD is a numerical method for approximating the spectral properties of the Koopman operator. The choice of observable functions is fundamental for applying EDMD to nonlinear problems arising in systems and control. Existing methods either start from a set of dictionary functions and look for the subset that best fits the underlying nonlinear dynamics or rely on machine learning algorithms to “learn” observable functions. Conversely, in this paper, we start from the dynamical system model and lift it through the Lie derivatives, rendering it into a polynomial form. This proposed transformation into a polynomial form is exact and provides an adequate set of observable functions. The strength of the proposed approach is its applicability to a broader class of nonlinear dynamical systems, particularly those with nonpolynomial functions and compositions thereof. Moreover, it retains the physical interpretability of the underlying dynamical system and can be readily integrated into existing numerical libraries. We demonstrate the proposed approach with an application to electric power systems. The modeled system consists of a single generator connected to an infinite bus, where nonlinear terms include sine and cosine functions. The results demonstrate the effectiveness of the proposed procedure in off-attractor nonlinear dynamics for estimation and prediction; the observable functions obtained from the proposed construction outperform methods that use dictionary functions comprising monomials or radial basis functions.

extended dynamic mode decomposition↗
DOE OSTI2022

First Plant Cell Atlas symposium report

The Plant Cell Atlas (PCA) community hosted a virtual symposium on December 9 and 10, 2021 on single cell and spatial omics technologies. The conference gathered almost 500 academic, industry, and government leaders to identify the needs and directions of the PCA community and to explore how establishing a data synthesis center would address these needs and accelerate progress. This report details the presentations and discussions focused on the possibility of a data synthesis center for a PCA and the expected impacts of such a center on advancing science and technology globally. Community discussions focused on topics such as data analysis tools and annotation standards; computational expertise and cyber-infrastructure; modes of community organization and engagement; methods for ensuring a broad reach in the PCA community; recruitment, training, and nurturing of new talent; and the overall impact of the PCA initiative. These targeted discussions facilitated dialogue among the participants to gauge whether PCA might be a vehicle for formulating a data synthesis center. The conversations also explored how online tools can be leveraged to help broaden the reach of the PCA (i.e., online contests, virtual networking, and social media stakeholder engagement) and decrease costs of conducting research (e.g., virtual REU opportunities). Major recommendations for the future of the PCA included establishing standards, creating dashboards for easy and intuitive access to data, and engaging with a broad community of stakeholders. The discussions also identified the following as being essential to the PCA's success: identifying homologous cell-type markers and their biocuration, publishing datasets and computational pipelines, utilizing online tools for communication (such as Slack), and user-friendly data visualization and data sharing. In conclusion, the development of a data synthesis center will help the PCA community achieve these goals by providing a centralized repository for existing and new data, a platform for sharing tools, and new analytical approaches through collaborative, multidisciplinary efforts. A data synthesis center will help the PCA reach milestones, such as community-supported data evaluation metrics, accelerating plant research necessary for human and environmental health.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Wavelength conversion for single-photon polarization qubits through continuous-variable quantum teleportation

A quantum internet connects remote quantum processors that need to interact and exchange quantum signals over a long distance through photonic channels. However, these quantum nodes operate at the wavelength ranges unsuitable for long-distance transmission. Therefore, quantum wavelength conversion to telecom bands is crucial for long-distance quantum networks based on optical fiber. Here, we propose wavelength conversion devices for single-photon polarization qubits using continuous-variable quantum teleportation that can efficiently convert qubits between near-infrared (780–795 nm suitable for interacting with atomic quantum nodes) and telecom wavelength (1300–1500 nm suitable for long-distance transmission). The teleportation uses entangled photon fields (i.e., nondegenerate two-mode squeezed state) that can be generated by four-wave mixing in a rubidium atomic gas using a diamond configuration of atomic transitions. The entangled fields can be emitted in two orthogonal polarizations with locked relative phase, making them especially suitable for interfacing with single- photon polarization qubits. Furthermore, our work may pave the way for the realization of long-distance quantum networks.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Revisiting Theoretical Limits for One Degree-of-Freedom Wave Energy Converters

This work revisits the theoretical limits of one degree-of-freedom wave energy converters (WECs). This work considers the floating sphere used in the OES Task 10 WEC modeling and verification effort for analysis. Analytical equations are derived to determine bounds on displacement amplitude, time-averaged power (TAP), and power-take-off (PTO) force. A unique result found shows that the TAP absorbed by a WEC can be defined solely by the inertial properties and radiation hydrodynamic coefficients. In addition, a unique expression for the PTO force was derived that provides lower and upper bounds when resistive control is used to maximize power generation. For complex conjugate control, this same expression only provides a lower bound, as there is theoretically no upper bound. These bounds assist in comparing the performance of the floating sphere if it were to extract energy using surge or heave motion. The analysis shows because of differences in hydrodynamic coefficients for each oscillating mode, there are different frequency ranges that provide better power capture efficiency. The influence of a motion constraint on TAP while utilizing a nonideal power take-off is examined and found to reduce the losses associated with bidirectional energy flow. The expression to calculate TAP with a nonideal PTO is modified by the electrical conversion efficiency and the ratio of the PTO spring and damping coefficients. Furthermore, the PTO spring and damping coefficients were separated in the expression, allowing for limits to be set on the PTO coefficients to ensure net power generation.

16 TIDAL AND WAVE POWER↗
DOE OSTI2021

Generation and measurement of intense few-femtosecond superradiant extreme-ultraviolet free-electron laser pulses

Free-electron lasers producing ultrashort pulses with high peak power promise to extend ultrafast non-linear spectroscopic techniques into the extreme-ultraviolet–X-ray regime. Key aspects are the synchronization between pump and probe, and the control of the pulse properties (duration, intensity and coherence). Externally seeded free-electron lasers produce coherent pulses that can be synchronized with femtosecond accuracy. An important goal is to shorten the pulse duration, but the simple approach of shortening the seed is not sufficient because of the finite-gain bandwidth of the conversion process. An alternative is the amplification of a soliton in a multistage, superradiant cascade: here, we demonstrate the generation of few-femtosecond extreme-ultraviolet pulses, whose duration we measure by autocorrelation. Overall, we achieve pulses four times shorter, and with a higher peak power, than in the standard high-gain harmonic generation mode and we prove that the pulse duration matches the Fourier transform limit of the spectral intensity distribution.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Sorption-enhanced steam reforming of toluene using multifunctional perovskite phase transition sorbents in a chemical looping scheme

Abstract Sorption-enhanced steam reforming (SESR) of toluene (SESRT) using catalytic CO 2 sorbents is a promising route to convert the aromatic tar byproducts formed in lignocellulosic biomass gasification into hydrogen (H 2 ) or H 2 -rich syngas. Commonly used sorbents such as CaO are effective in capturing CO 2 initially but are prone to lose their sorption capacity over repeated cycles due to sintering at high temperatures. Herein, we present a demonstration of SESRT using A- and B-site doped Sr 1− x A’ x Fe 1− y B’ y O 3− δ (A’ = Ba, Ca; B’ = Co) perovskites in a chemical looping scheme. We found that surface impregnation of 5–10 mol% Ni on the perovskite was effective in improving toluene conversion. However, upon cycling, the impregnated Ni tends to migrate into the bulk and lose activity. This prompted the adoption of a dual bed configuration using a pre-bed of NiO/ γ –Al 2 O 3 catalyst upstream of the sorbent. A comparison is made between isothermal operation and a more traditional temperature-swing mode, where for the latter, an average sorption capacity of ∼38% was witnessed over five SESR cycles with H 2 -rich product syngas evidenced by a ratio of H 2 : CO x > 4.0. XRD analysis of fresh and cycled samples of Sr 0.25 Ba 0.75 Fe 0.375 Co 0.625 O 3- δ reveal that this material is an effective phase transition sorbent—capable of cyclically capturing and releasing CO 2 without irreversible phase changes occurring.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Protonic Ceramics for Energy Storage & Electricity Generation with Ammonia (Final Report)

The commercial product resulting from this R&D project will enable cost-effective synthesis of the Carbon Neutral Liquid Fuel (CNLF) ammonia, a common chemical, at a small scale for energy and industrial applications using only intermittent renewable energy, water, and air as feedstocks. These products are also capable of producing electrical energy from the CNLF in a fuel cell mode of operation. Thus, the eventual commercial product enables both single direction production of either CLNF or electricity, or alternatively functions as a fully reversible, self-contained energy storage device. The renewed interest in developing electrolysis systems is driven, in part, by the burgeoning renewable, solar, and wind industries and the need for an energy conversion and storage technology that can convert intermittent solar and wind energy into the production of hydrogen. Electrolysis systems integrated into both distributed and central renewable power plants would utilize solar and wind energy as their primary power source to produce renewably generated hydrogen for local energy storage or chemical feedstock purposes. Ammonia is an excellent surrogate for hydrogen transportation. NH3 presents an attractive alternative to hydrogen as a working fluid in reversible devices towards a sustainable green energy-oriented future. Ammonia can be easily liquefied at room temperature at about 8 bar or at -33°C at ambient pressure. In contrast, the liquefaction temperature of hydrogen is -253°C at ambient pressure. NH3 has a significantly higher volumetric energy density (12.7 MJ/L) than compressed hydrogen (4.5 MJ/L at ~70 MPa) or liquefied hydrogen (8.5 MJ/L). Additionally, ammonia is a widely used raw material for agriculture fertilizer and thus has well-established storage, transport, and handling processes (about 180 million tons of ammonia are produced annually). Techno-economic analysis suggests ammonia is the least expensive fuel among hydrogen, gasoline, natural gas, liquefied petroleum gas, and methanol.

08 HYDROGEN↗
DOE OSTI2023

Limits to Gauge Coupling in the Dark Sector Set by the Nonobservation of Instanton-Induced Decay of Super-Heavy Dark Matter in the Pierre Auger Observatory Data

Instantons, which are nonperturbative solutions to Yang-Mills equations, provide a signal for the occurrence of quantum tunneling between distinct classes of vacua. They can give rise to decays of particles otherwise forbidden. Using data collected at the Pierre Auger Observatory, we search for signatures of such instanton-induced processes that would be suggestive of super-heavy particles decaying in the Galactic halo. These particles could have been produced during the post-inflationary epoch and match the relic abundance of dark matter inferred today. The nonobservation of the signatures searched for allows us to derive a bound on the reduced coupling constant of gauge interactions in the dark sector: α X ≲ 0.09, for 10 9 ≲ M X /GeV < 10 19 . Conversely, we obtain that, for instance, a reduced coupling constant α X = 0.09 excludes masses M X ≳ 3 x 10 13 GeV. In the context of dark matter production from gravitational interactions alone, we illustrate how these bounds are complementary to those obtained on the Hubble rate at the end of inflation from the nonobservation of tensor modes in the cosmological microwave background.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗