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DOE OSTI2022

On-Demand Designing of Cathode Internal Surface Architecture for Dramatic Enhancement of SOFC Performance and Durability

This project is aimed to design and modify the internal surfaces of porous composite cathode from currently commercially viable Solid Oxide Fuel Cells (SOFCs), using additive manufacturing process of Atomic Layer Deposition (ALD). The material systems being investigated are commercial composite electrodes complex three-dimensional topographies. In term of the chemistry of the ALD layer applied on the internal surface of the porous cathode, this project has employed commercially relevant electrolyte, electrocatalyst and noble metal materials set. Such materials are fully compatible with the commercial fuel cells, and this project has developed special nanostructure on the surface of the commercial composite cathodes. The formation of the designed nanoarchitecture on the surface of SOFC cathode has been achieved through precise control of ALD parameters and their effect on overall cell performance and resultant electrochemical reaction mechanism of cathodes has been investigated through full cell electrochemical performance testing and nanostructure characterization by transmission electron microscopy (TEM). Under the support of this award, following has been achieved: (1). For cathode materials in solid oxide fuel cells (SOFCs), such as perovskite mixed conductor La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3-x (LSCF), cation surface segregation and consequently losing conductivity and active sites for the oxygen reduction reaction (ORR) are problematic. To mitigate the cation segregation and enhance SOFC durability, further decorating the internal backbone surface using the desired electrocatalysts could be a promoting approach. Commonly, the cation segregation such as Sr is very volatile, so the effective surface decoration is ideally conformal. Nevertheless, the conformal surface coating would inevitably alter the ORR pathways that initially take place on the surface of the backbone. To reveal the impact of the conformal coating on both the catalytic activity and the conductivity of the cathode, the unary electrocatalyst of Pt or CoO x , was applied to the LSCF/SDC composite electrode of inherently functional SOFCs, respectively. Both ALD coating layers evolve strong interaction with the LSCF composite cathode. Upon operations, the Pt coating layer remains conformal on LSCF grain surfaces but turns into discrete particles on SDC grain surfaces. Meanwhile, CoO x conformal coating grows to be the discrete nanograins on both the LSCF and SDC grains. ALD coating of the cathode alone reduces the ohmic resistance up to 28 % for the entire cells. The increased conductivity induced by the ALD coating of Pt or CoO x is ascribed to different mechanisms. For the inherent functional SOFCs, the present study presents a novel and feasible approach to apply a conformal, dense coating layer on the surface of a mixed conductor, simultaneously increasing the conductivity and durability of the SOFC cathode. (2). High resistance of the oxygen electrode still significantly hinders the state-of-the-art Solid Oxide Fuel Cells (SOFCs). In particular, for an oxygen electrode consisting of mixed electronic and ionic conductors, such as perovskite lanthanum strontium cobalt ferrite (LSCF), it deteriorates due to its low chemical stability of the grain surface. Such degradation is often associated with the segregation of cations. To prevent the cation surface segregation and its resultant perovskite phase decomposition, we demonstrate a conformal ultra-thin (7-10 nm) surface heterogeneous coating layer consisting of subjacent discrete Pt nanoparticles capped with a superjacent fully dense conformal CoO x layer. The performance studies indicate the ALD coating reduces the cell series resistance by up to 40 %. The conformal CoO x layer consists of randomly orientated but single-layered nanograins, with high-density intergranular and surface grain boundaries serving as the electrochemical reaction sites and facilitating mass transport. The conformal coating layer appears to have successfully suppressed the Sr outward diffusion and confined the Sr enriched layer to a ~ 2 nm interface perovskite phase between the coating layer and the LSCF grain surface. Moreover, this ultra-thin Sr enriched perovskite layer presumably possesses high oxygen vacancy and high ionic conductivity and further imposes tensile strain to the LSCF grain surfaces. With the combination of a conformal CoO x nanoionics, Sr enriched layer, and its strained interface, the ALD coating induced surface layer is estimated to have a conductivity of ~ 1.27x10 4 S/cm, which is over two orders magnitude of that from LSCF at 750 ºC.

30 DIRECT ENERGY CONVERSION↗

NASA NTRS1983

Aerothermal modeling program, phase 1

The combustor performance submodels for complex flows are evaluated. The benchmark test cases for complex nonswirling flows are identified and analyzed. The introduction of swirl into the flow creates much faster mixing, caused by radial pressure gradients and increase in turbulence generation. These phenomena are more difficult to predict than the effects due to geometrical streamline curvatures, like the curved duct, and sudden expansion. Flow fields with swirl, both confined and unconfined are studied. The role of the dilution zone to achieve the turbine inlet radial profile plays an important part, therefore temperature field measurements were made in several idealized dilution zone configurations.

Srinivasan, R.↗

DOE OSTI2021

Phonon Magnetic Moment from Electronic Topological Magnetization

The traditional theory of magnetic moments for chiral phonons is based on the picture of the circular motion of the Born effective charge, typically yielding a small fractional value of the nuclear magneton. Here we investigate the adiabatic evolution of electronic states induced by the lattice vibration of a chiral phonon and obtain an electronic orbital magnetization in the form of a topological second Chern form. We find that the traditional theory needs to be refined by introducing a k resolved Born effective charge, and identify another contribution from the phonon-modified electronic energy together with the momentum-space Berry curvature. The second Chern form can diverge when there is a Yang’s monopole near the parameter space of interest as illustrated by considering a phonon at the Brillouin zone corner in a gapped graphene model. We also find large magnetic moments for the optical phonon in bulk topological materials where nontopological contribution is also important. Our results agree with recent observations in experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1998

Hypersonic Boundary-Layer Transition for X-33 Phase 2 Vehicle

A status review of the experimental and computational work performed to support the X-33 program in the area of hypersonic boundary-layer transition is presented. Global transition fronts are visualized using thermographic phosphor measurements. Results are used to derive transition correlations for "smooth body" and discrete roughness data and a computational tool is developed to predict transition onset for X-33 using these results. The X-33 thermal protection system appears to be conservatively designed for transition effects based on these studies. Additional study is needed to address concerns related to surface waviness. A discussion of future test plans is included.

Thompson, Richard A.↗

NASA NTRS1982

Flying qualities - A costly lapse in flight-control design

Generic problems in advanced aircraft with advanced control systems which suffer from control sensitivity, sluggish response, and pilot-induced oscillation tendencies are examined, with a view to improving techniques for eliminating the problems in the design phase. Results of two NASA and NASA/AIAA workshops reached a consensus that flying qualities criteria do not match control system development, control system designers are not relying on past experience in their field, ground-based simulation is relied on too heavily, and communications between flying qualities and control systems engineers need improvement. A summation is offered in that hardware and software have outstripped the pilot's capacity to use the capabilities which new aircraft offer. The flying qualities data base is stressed to be dynamic, and continually redefining the man/machine relationships.

Berry, D. T.↗

NASA NTRS1992

Sulfur transformations in the sediments of a New Hampshire salt marsh

Summer sulfate reduction and sulfide and iron chemistry were monitored in marsh soils along a gradient from a creekside Spartina alterniflora region to an inland area dominated by S. patens. Sulfate reduction rates measured using S-35 increased from 0.4 in June to as much as 4.5 micro-mole/ml(sup -1)d(sup -1) in July in S. alterniflora soils with most rapid rates occurring in the upper few cm. Rates in S. patens soils were approximately equal to 5-8 fold slower with the most rapid rates occurring generally in soils deeper than 10 cm. The recovery percentage of reduced S-35 sulfur varied with depths at both locations; dissolved and acid-volatile sulfides dominating S. alterniflora regions while chromium-reducible solid phases were abundant in S. patens soils. Dissolved sulfide in S. alterniflora soils increased throughout the summer to approximately equal to 2.8 mM while sulfide in S. patens soils was abundant only in soils deeper than 15 cm. Dissolved sulfide covaried inversely with iron. Diel studies demonstrated that sulfide and iron varied approximately equal to two-fold in response to a semi-diurnal tide. Dissolved sulfide turnover was most rapid during periods of active plant growth.

Hines, Mark E.↗

DOE OSTI2025

Symmetry-Based Classification of Exact Flat Bands in Single and Bilayer Moiré Systems

Landau levels have been central to the discovery of exotic quantum phases and their unprecedentedly deep roots in geometry and topology. A powerful concept called “vortexability” extends this framework to moiré systems. In this Letter, we show that vortexable systems support not only Landau-level-like flat bands but also entirely new types with distinct topological properties. Notably, while 𝑛𝑏 Landau levels have total Chern number 𝐶 = 𝑛 𝑏 , vortexable moiré systems can host 𝑛 𝑏 flat bands with 𝐶 = 1 ≠ 𝑛 𝑏 . Here, we provide a complete classification of such exact flat bands in single and bilayer systems with Dirac or quadratic band crossings, identifying the symmetry conditions that govern their number and topology. Up to six flat bands can be symmetry protected. We construct explicit wave functions, showing that sublattice-polarized states always sum to Chern number ±1 and satisfy ideal non-Abelian quantum geometry. When the Berry curvature is sharply peaked, we show that a topological heavy-fermion description remains valid—even for bands with high degeneracy.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Metal Halide Perovskites Demonstrate Radiation Hardness and Defect Healing in Vacuum

Herein, we subject formamidinium lead iodide films to oxygen-containing gases (flowing O 2 or free diffusion of lab atmosphere), inert gases (flowing He, Ar, or N 2 ), and vacuum. Our films are irradiated by Cu Ka X-rays and held at 75 °C while X-ray diffraction is recorded. Under all gas conditions, we observe a reproducible 1.1 ± 0.5 A 3 perovskite lattice contraction from an initial unit cell volume of 256.5 ± 0.8 A 3 concurrent with continuous perovskite loss and lead iodide growth. Oxygen-containing gases increase the reaction rates without materially altering perovskite structural changes. Under the same temperature and irradiation conditions in vacuo, a self-healing reaction is observed, exhibited by a reproducible (0.9 ± 0.3 A 3 ) lattice expansion and stabilization of the perovskite. Furthermore, interactions between the perovskite, defects, and minority phases are simulated by generalized gradient approximation Perdew-Burke-Ernzerhof (GGA-PBE) density functional theory. Lattice contraction indicates an increase in the concentration of Schottky defects-pairs of formamidinium and iodine vacancies. Under irradiation in every atmospheric condition, a solid solution of Schottky defects with a concentration of several percent diffuses and precipitates forming lead iodide and consuming the defects. In the presence of ionized gases, this framework is modified to include the continual loss of formamidinium and iodine ions from the perovskite forming Schottky defects.

14 SOLAR ENERGY↗

NASA NTRS1985

Pilot usage of decoupled flight path and pitch controls

Data from decoupled flight maneuvers have been collected and analyzed for four AFTI-F-16 pilots operating this aircraft's highly augmented fly-by-wire control system, in order to obtain spectral density, cross spectra, and Bode amplitude data, as well as coherences and phase angles for the two longitudinal axis control functions of each of 50 20-sec epochs. The analysis of each epoch yielded five distinct plotted parameters for the left hand twist grip and right hand sidestick controller output time series. These two control devices allow the left hand to generate vertical translation, direct lift, or pitch-pointing commands that are decoupled from those of the right hand. Attention is given to the control patterns obtained for decoupled normal flight, air-to-air gun engagement decoupled maneuvering, and decoupled air-to-surface bombing run maneuvering.

Berkhout, J.↗

NASA NTRS1983

Executive summary, aerothermal modeling program, phase 1

Submodels used in the combustor analytical models that were successfully used in designing advanced technology combustors were assessed. Specific recommendations for further improvement of model accuracy for combustor design purposes were made. Based upon an exhaustive literature survey, a number of test cases were selected to assess accuracy of submodels of turbulence, turbulence/chemistry interaction, spray combustion, and dilution jet mixing processes within a confined cross-stream. These test cases included simple flows and complex flows with and without swirl. Nonrecirculating and recirculating, and nonreactive and reactive flows were investigated. It was concluded that the current models give qualitative trends for the recirculating secondary flows (as encountered in a gas turbine combustor primary zone), but the predictions are good for the dilution zone.

Srinivasan, R.↗

DOE OSTI2026

Disentangling High Harmonic Generation from Surface and Bulk States of a Topological Insulator

The discovery of topological phases has introduced a new dimension to materials science. Three-dimensional (3D) topological insulators (TIs) are a remarkable class of matter that is insulating in the bulk while hosting conductive topological surface states (TSSs) with unique charge and spin properties. High-order harmonic generation (HHG) has emerged as a powerful tool to probe condensed matter systems by providing insights into their electronic structure and dynamic behavior. Here, we investigate HHG in the prototype 3D-TI Bi$_2$Se$_3$. We demonstrate that the contributions of bulk and surface states to the harmonic emission can be controlled by tuning the thickness of thin film samples. An ultrathin (6 nm) film substantially enhances HHG from the surface states, while the bulk states dominate HHG in a thicker (50 nm) film. By applying a quasi-static terahertz perturbing field, we disentangle the bulk and surface responses and reveal the significant impact of the surface states' shift vector and Berry curvature on HHG. Our study provides effective methods for isolating the optical responses of TSSs from those of the bulk, which opens the door to resolving an ongoing debate regarding whether it is possible to reliably extract topological signatures in HHG.

Atomic Physics (physics.atom-ph)↗

DOE OSTI2020

Perspectives on ENCODE

The Encyclopedia of DNA Elements (ENCODE) Project launched in 2003 with the long-term goal of developing a comprehensive map of functional elements in the human genome. These included genes, biochemical regions associated with gene regulation (for example, transcription factor binding sites, open chromatin, and histone marks) and transcript isoforms. The marks serve as sites for candidate cis-regulatory elements (cCREs) that may serve functional roles in regulating gene expression. The project has been extended to model organisms, particularly the mouse. Finally, in the third phase of ENCODE, nearly a million and more than 300,000 cCRE annotations have been generated for human and mouse, respectively, and these have provided a valuable resource for the scientific community.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

The pantropical response of soil moisture to El Niño

Abstract. The 2015–2016 El Niño event ranks as one of the most severe on record in terms of the magnitude and extent of sea surface temperature (SST) anomalies generated in the tropical Pacific Ocean. Corresponding global impacts on the climate were expected to rival, or even surpass, those of the 1997–1998 severe El Niño event, which had SST anomalies that were similar in size. However, the 2015–2016 event failed to meet expectations for hydrologic change in many areas, including those expected to receive well above normal precipitation. To better understand how climate anomalies during an El Niño event impact soil moisture, we investigate changes in soil moisture in the humid tropics (between ±25∘) during the three most recent super El Niño events of 1982–1983, 1997–1998 and 2015–2016, using data from the Global Land Data Assimilation System (GLDAS). First, we use in situ soil moisture observations obtained from 16 sites across five continents to validate and bias-correct estimates from GLDAS (r2=0.54). Next, we apply a k-means cluster analysis to the soil moisture estimates during the El Niño mature phase, resulting in four groups of clustered data. The strongest and most consistent decreases in soil moisture occur in the Amazon basin and maritime southeastern Asia, while the most consistent increases occur over eastern Africa. In addition, we compare changes in soil moisture to both precipitation and evapotranspiration, which showed a lack of agreement in the direction of change between these variables and soil moisture most prominently in the southern Amazon basin, the Sahel and mainland southeastern Asia. Our results can be used to improve estimates of spatiotemporal differences in El Niño impacts on soil moisture in tropical hydrology and ecosystem models at multiple scales.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Triple-halide wide–band gap perovskites with suppressed phase segregation for efficient tandems

Wide–band gap metal halide perovskites are promising semiconductors to pair with silicon in tandem solar cells to pursue the goal of achieving power conversion efficiency (PCE) greater than 30% at low cost. However, wide–band gap perovskite solar cells have been fundamentally limited by photoinduced phase segregation and low open-circuit voltage. Here, we report efficient 1.67–electron volt wide–band gap perovskite top cells using triple-halide alloys (chlorine, bromine, iodine) to tailor the band gap and stabilize the semiconductor under illumination. We show a factor of 2 increase in photocarrier lifetime and charge-carrier mobility that resulted from enhancing the solubility of chlorine by replacing some of the iodine with bromine to shrink the lattice parameter. We observed a suppression of light-induced phase segregation in films even at 100-sun illumination intensity and less than 4% degradation in semitransparent top cells after 1000 hours of maximum power point (MPP) operation at 60°C. By integrating these top cells with silicon bottom cells, we achieved a PCE of 27% in two-terminal monolithic tandems with an area of 1 square centimeter.

14 SOLAR ENERGY↗

DOE OSTI2024

Double Perovskite Interlayer Stabilized Highly Efficient Perovskite Solar Cells

Metal halide perovskite solar cell (PSC) technology has an impressive power conversion efficiency (PCE) exceeding 26.1% and demonstrates cost-effective manufacturing. However, the stability of these PSCs poses a significant challenge, hindering their widespread manufacturing and commercialization. To tackle the degradation issue inherent in PSCs, surface passivation techniques, particularly employing a thin layer of two-dimensional (2D) perovskites, create a 2D/3D heterostructure. Beyond this, the exploration of metal halide double perovskites adds a new dimension to the chemical and band gap phase space of materials for optoelectronic applications. In this study, we leverage a wide band gap double perovskite interlayer to enhance the stability of 3D metal halide perovskite. Specifically, the double perovskite nanoparticle Cs 2 AgBiBr 6 , with its substantial band gap of 2.2 eV and exceptional air stability, is utilized. Through optimization, a Cs 2 AgBiBr 6 -treated PSC achieves an open-circuit voltage of 1.12 V and an impressive PCE of 19.52%. Additionally, the Cs 2 AgBiBr 6 passivation layer proves to be effective in bolstering the stability of PSCs. This work demonstrates an additional strategy and design motif to simultaneously increase the PCE of PSCs along with achieving improved stability.

14 SOLAR ENERGY↗

DOE OSTI2022

Weyl semimetal in the rare-earth hexaboride family supporting a pseudonodal surface and a giant anomalous Hall effect

Rare-earth hexaborides offer a rich tapestry for exploring the interplay of topological orders, magnetism, and electron-correlation effects associated with protected quantum phenomena. Using first-principles modeling, we identify in cerium hexaboride (CeB 6 ) a topological state that harbors a pseudonodal surface (PNS) along with double-Weyl fermions. An analysis of the electronic states in the vicinity of the Fermi level reveals the presence of M z -mirror-symmetry-protected band crossings that involve itinerant (d) and localized (f) states of Ce. These band crossings are found to remain nearly gapless as one goes away from the mirror plane, driving the formation of PNS states. We also demonstrate the presence of coexisting double-Weyl fermions with chiral charges of ±2 on the C 4z rotational axis. By analyzing the Berry curvature field associated with the topological states, we predict that CeB 6 supports a giant anomalous Hall conductivity of -1840Ω -1 cm -1 in the slightly electron-doped regime, which would be larger than the values reported to date in magnetic Weyl semimetals. Our study thus indicates that CeB 6 , which combines ferromagnetic order with topological physics in a heavy-fermion matrix, would provide a promising playground for investigating topological magnetic states with giant anomalous Hall responses.

36 MATERIALS SCIENCE↗

NASA NTRS1991

Civil tiltrotor missions and applications. Phase 2: The commercial passenger market

The commercial passenger market for the civil tiltrotor was examined in phase 2. A market responsive commercial tiltrotor was found to be technically feasible, and a significant worldwide market potential was found to exist for such an aircraft, especially for relieving congestion in urban area-to-urban area service and for providing cost effective hub airport feeder service. Potential technical obstacles of community noise, vertiport area navigation, surveillance, and control, and the pilot/aircraft interface were determined to be surmountable. Nontechnical obstacles relating to national commitment and leadership and development of ground and air infrastructure were determined to be more difficult to resolve; an innovative public/private partnership is suggested to allow coordinated development of an initial commercial tiltrotor network to relieve congestion in the crowded US Northeast corridor by the year 2000.

Thompson, P.↗

DOE OSTI2022

IACMI Project 4.10: Blade Finishing Automation (Final Report)

IACMI Project 4.10, the Innovative Wind Turbine Blade Finishing with Advanced Automated Technology project, performed research addressing the challenges and opportunities associated with automating wind turbine blade finishing operations, including blade trimming and grinding. These activities, developed and conducted in close cooperation with wind industry partners, included: • The development of new automation technology and systems; • The integration of automation technology and components; • The improvements of sensor technology and their deployment in automation systems • The elimination of extensive manual programing for the automation of wind blade finishing; • The rethinking of the approach to specific work tasks for automation systems; • The demonstration at scale of innovative wind turbine blade finishing automations systems. The IACMI Wind TA team worked with GE Renewable Energy and LM Wind Power to establish the metrics of the automated blade finishing system developed in the project. In addition, the project team helped to integrate the advanced automated systems into wind turbine blade production facilities. This project was divided into two phases. Phase I provided project management, preliminary techno-economic model development, early US wind turbine industry outreach, and early research into robotic solutions for automated wind blade finishing. This second phase continued with project management, as well as final techno-economic model development, advanced research into robotic solutions for automated wind blade finishing, as well as specifications and procurement of a robotic system for automated wind blade finishing. The 4.10 project leveraged the capabilities and facilities established through the Institute for Advanced Composites Manufacturing Innovation (IACMI), the Colorado Office of Economic Development and International Trade (OEDIT) and the National Renewable Energy Laboratory (NREL). The IACMI Wind Technology Area (TA) designed and prepared for deployment a robotic automated wind turbine blade finishing system at the NREL/IACMI Composites Manufacturing Education and Technology (CoMET) facility. The results of this project led to follow-on funding to build upon and expand research in automated wind turbine blade finishing.

17 WIND ENERGY↗