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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 OSTI2014

Long-term evaluation of solid oxide fuel cell candidate materials in a 3-cell generic short stack fixture, Part II: sealing glass stability, microstructure and interfacial reactions.

A generic solid oxide fuel cell stack test fixture was developed to evaluate candidate materials and processing methods under realistic conditions. Part I of the work addressed the stack fixture, seal system and cell performance of a 3-cell short stack tested at 800oC for 6000h. Commercial NiO-YSZ anode-supported thin YSZ electrolyte cells with LSM cathodes were used for assessment and were tested in constant current mode with dilute (~50% H2) fuel versus air. Part II of the work examined the sealing glass stability, microstructure development, interfacial reactions, and volatility issues. Part III of the work investigated the stability of Ce-(Mn,Co) spinel coating, AISI441 metallic interconnect, alumina coating, and cell degradation. After 6000h of testing, the refractory sealing glass YSO77 (Ba-Sr-Y-B-Si) showed desirable chemical compatibility with YSZ electrolyte in that no discernable interfacial reaction was identified, consistent with thermodynamic calculations. In addition, no glass penetration into the thin electrolyte was observed. At the aluminized AISI441 interface, the protective alumina coating appeared to be corroded by the sealing glass. Air side interactions appeared to be more severe than fuel side interactions. Metal species such as Cr, Mn, and Fe were detected in the glass, but were limited to the vicinity of the interface. No alkaline earth chromates were found at the air side. Volatility was also studied in a similar glass and weight loss in a wet reducing environment was determined. Using the steady-state volatility data, the life time (40,000h) weight loss of refractory sealing glass YSO77 was estimated to be less than 0.1 wt%.

sealing glass, AISI441, aluminization, (Mn,Co)-spi↗
DOE OSTI2017

Phase field modeling of microstructure evolution and concomitant effective conductivity change in solid oxide fuel cell electrodes

Microstructure evolution plays an important role in the performance degradation of SOFC electrodes. In this work, we propose a much improved phase field model to simulate the microstructure evolution in the electrodes of solid oxide fuel cell. We demonstrate that the tunability of the interfacial energy in this model has been significantly enhanced. Parameters are set to fit for the interfacial energies of a typical Ni-YSZ anode, an LSM-YSZ cathode and an artificial reference electrode, respectively. The contact angles at various triple junctions and the microstructure evolutions in two dimensions are calibrated to verify the model. As a demonstration of the capabilities of the model, three dimensional microstructure evolutions are simulated applying the model to the three different electrodes. The time evolutions of grain size and triple phase boundary density are analyzed. In addition, a recently proposed bound charge successive approximation algorithm is employed to calculate the effective conductivity of the electrodes during microstructure evolution. Furthermore, the effective conductivity of all electrodes are found to decrease during the microstructure evolution, which is attributed to the increased tortuosity and the loss of percolated volume fraction of the electrode phase.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2018

High performance metal-supported solid oxide fuel cells with infiltrated electrodes

High power density is required to commercialize solid oxide fuel cells for vehicular applications. High performance of metal supported solid oxide fuel cells (MS-SOFCs) is achieved via catalyst composition, electrode structure, and processing optimization. The full cell configuration consists of a dense ceramic electrolyte and porous ceramic backbones (electrodes) sandwiched between porous stainless steel metal supports. The conventional YSZ electrolyte and backbones are replaced with more conductive and thinner 10Sc1CeSZ ceramics. MS-SOFCs are co-sintered in a single step and subsequently infiltrated with nanocatalysts. Five categories of cathode catalysts are screened in full cells, including: perovskites, nickelates, praseodymium oxide, binary layered composites, and ternary layered composites. Various anode compositions are also tested. The conventional LSM cathode catalyst is replaced with more active Pr 6 O 11 and the Ni content of the SDC-Ni anode is increased. The resulting cells achieve a peak power of 1.56, 2.0, and 2.85 W cm -2 at 700, 750, and 800 °C, respectively, with 3%H 2 O/H 2 as fuel and cathode exposed to air. Multiple cells show reproducible performance (P max = 1.50 ± 0.06 W cm -2 ) and OCV (1.10 ± 0.02 V). Finally, the performance is further increased with cathode exposed to pure oxygen (2.0 W cm -2 at 700 °C).

25 ENERGY STORAGE↗
DOE OSTI2025

Microstructure-based modeling of inner oxygen pressure in solid oxide electrolysis cells: Analysis of electrode delamination and mitigation

One major degradation mechanism during long-term operation of solid oxide electrolysis cells (SOECs) is delamination of oxygen electrodes (OEs). The driving force for the electrode delamination could be the generated high inner oxygen pressure near the electrode-electrolyte interface during operation. However, the effects of transport properties and electrode thickness on the inner oxygen partial pressure are not well understood. Here a microstructure-based electrochemical model, which includes the conduction of electrons and oxygen ions coupled with Butler-Volmer-type chemical reactions at triple-phase-boundaries (TPBs), is employed to investigate the oxygen pressure in lanthanum strontium manganate (LSM)-based SOECs. The model is applied to both two-dimensional (2D) prototype microstructures and three-dimensional (3D) realistic microstructures, and the oxygen pressure is analyzed as a function of transport properties and electrode thickness under both potentiostatic and galvanostatic operations. The simulation results suggest strategies to suppress electrode delamination. The simulation results are compared to an analytical solution, and the discrepancies are attributed to the Butler-Volmer-type kinetics included in the microstructure-based model.

25 ENERGY STORAGE↗
DOE OSTI2025

LASSO for CALPHAD Model Selection Enables Data-Efficient Thermodynamic Modeling: An Application in Thermochemical Hydrogen Production Materials

Phenomenological CALPHAD (CALculation of PHAse Diagrams) models, widely used for multicomponent materials, often contain a considerable number of parameters and require fitting using data from a relatively small number of experimental measurements or theoretical calculations. Sometimes these parameters are introduced for the purpose of improving model fits but without clear physical justification, which leads to overparametrized models with poor generalization performance. Automated approaches for optimal model selection based on the available data therefore become critical. Here, in this work, a least absolute shrinkage and selection operator (LASSO)-based approach is developed for model selection by leveraging the linearity of the CALPHAD model with respect to its parameters to convert the model selection and fitting to a LASSO minimization problem. We demonstrate its utility for thermodynamic modeling of thermochemical hydrogen (TCH) production materials using lanthanum strontium manganite (LSM) as an example. Various TCH-relevant properties, including oxygen stoichiometry as a function of oxygen partial pressure, enthalpy of reduction, and entropy of reduction, are successfully predicted with reasonable accuracy using a minimal set of model parameters. Importantly, the model selection and fitting involve minimal human decision; it can therefore be applied to high-throughput DFT defect calculations and yield efficient workflows for TCH material modeling and optimization.

CALPHAD↗
DOE OSTI2021

Implementation and Evaluation of a Unified Turbulence Parameterization Throughout the Canopy and Roughness Sublayer in Noah‐MP Snow Simulations

Abstract The Noah‐MP land surface model (LSM) relies on the Monin‐Obukhov (M‐O) Similarity Theory (MOST) to calculate land‐atmosphere exchanges of water, energy, and momentum fluxes. However, MOST flux‐profile relationships neglect canopy‐induced turbulence in the roughness sublayer (RSL) and parameterize within‐canopy turbulence in an ad hoc manner. We implement a new physics scheme (M‐O‐RSL) into Noah‐MP that explicitly parameterizes turbulence in RSL. We compare Noah‐MP simulations employing the M‐O‐RSL scheme (M‐O‐RSL simulations) and the default M‐O scheme (M‐O simulations) against observations obtained from 647 Snow Telemetry (SNOTEL) stations and two AmeriFlux stations in the western United States. M‐O‐RSL simulations of snow water equivalent (SWE) outperform M‐O simulations over 64% and 69% of SNOTEL sites in terms of root‐mean‐square‐error (RMSE) and correlation, respectively. The largest improvements in skill for M‐O‐RSL occur over closed shrubland sites, and the largest degradations in skill occur over deciduous broadleaf forest sites. Differences between M‐O and M‐O‐RSL simulated snowpack are primarily attributable to differences in aerodynamic conductance for heat underneath the canopy top, which modulates sensible heat flux. Differences between M‐O and M‐O‐RSL within‐canopy and below‐canopy sensible heat fluxes affect the amount of heat transported into snowpack and hence change snowmelt when temperatures are close to or above the melting point. The surface energy budget analysis over two AmeriFlux stations shows that differences between M‐O and M‐O‐RSL simulations can be smaller than other model biases (e.g., surface albedo). We intend for the M‐O‐RSL physics scheme to improve performance and uncertainty estimates in weather and hydrological applications that rely on Noah‐MP.

Meteorology & Atmospheric Sciences↗
DOE OSTI2023

Carbon and Water Fluxes of the Boreal Evergreen Needleleaf Forest Biome Constrained by Assimilating Ecosystem Carbonyl Sulfide Flux Observations

Gross primary production (GPP) by boreal forests is highly sensitive to environmental changes. However, GPP simulated by land surface models (LSMs) remains highly uncertain due to the lack of direct photosynthesis observations at large scales. Carbonyl sulfide (COS) has emerged as a promising proxy to improve the representation of GPP in LSMs. Because COS is absorbed by vegetation following the same diffusion pathway as CO2 during photosynthesis and not emitted back to the atmosphere, incorporating a mechanistic representation of vegetation COS uptake in LSMs allows using COS observations to refine GPP representation. Here, we perform ecosystem COS flux and GPP data assimilations to constrain the COS- and GPP-related parameters in the ORCHIDEE LSM for boreal evergreen needleleaf forests (BorENF). Assimilating ecosystem COS fluxes at Hyytiälä forest increases the simulated net ecosystem COS uptake by 14%. This increase largely results from changes in the internal conductance to COS, highlighting the need to improve the representation of COS internal diffusion and consumption. Moreover, joint assimilation of ecosystem COS flux and GPP at Hyytiälä improves the simulated latent heat flux, contrary to the GPP-only data assimilation, which fails to do so. Finally, we scaled this assimilation framework up to the boreal region and find that the joint assimilation of COS at Hyytiälä and GPP fluxes at 10 BorENF sites increases the modeled vegetation COS uptake up to 18%, but not GPP. Therefore, this study encourages the use of COS flux observations to inform GPP and latent heat flux representations in LSMs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Incorporating the Acclimation of Photosynthesis and Leaf Respiration in the Noah‐MP Land Surface Model: Model Development and Evaluation

Abstract Realistic simulation of leaf photosynthetic and respiratory processes is needed for accurate prediction of the global carbon cycle. These two processes systematically acclimate to long‐term environmental changes by adjusting photosynthetic and respiratory traits (e.g., the maximum photosynthetic capacity at 25°C ( V cmax,25 ) and the leaf respiration rate at 25°C ( R 25 )) following increasingly well‐understood principles. While some land surface models (LSMs) now account for thermal acclimation, they do so by assigning empirical parameterizations for individual plant functional types (PFTs). Here, we have implemented an Eco‐Evolutionary Optimality (EEO)‐based scheme to represent the universal acclimation of photosynthesis and leaf respiration to multiple environmental effects, and that therefore requires no PFT‐specific parameterizations, in a standard version of the widely used LSM, Noah MP. We evaluated model performance with plant trait data from a 5‐year experiment and extensive global field measurements, and carbon flux measurements from FLUXNET2015. We show that observed R 25 and V cmax,25 vary substantially both temporally and spatially within the same PFT ( C.V. >20%). Our EEO‐based scheme captures 62% of the temporal and 70% of the spatial variations in V cmax,25 (73% and 54% of the variations in R 25 ). The standard scheme underestimates gross primary production by 10% versus 2% for the EEO‐based scheme and generates a larger spread in r (correlation coefficient) across flux sites (0.79 ± 0.16 vs. 0.84 ± 0.1, mean ± S.D.). The standard scheme greatly overestimates canopy respiration (bias: ∼200% vs. 8% for the EEO scheme), resulting in less CO 2 uptake by terrestrial ecosystems. Our approach thus simulates climate‐carbon coupling more realistically, with fewer parameters.

Ren, Yanghang [Department of Earth System Science ↗
DOE OSTI2016

Measuring the complex optical conductivity of graphene by Fabry-Pérot reflectance spectroscopy [Determination of the optical index for few-layer graphene by reflectivity spectroscopy]

Here, we have experimentally studied the optical refractive index of few-layer graphene through reflection spectroscopy at visible wavelengths. A laser scanning microscope (LSM) with a coherent supercontinuum laser source measured the reflectivity of an exfoliated graphene flake on a Si/SiO 2 substrate, containing monolayer, bilayer and trilayer areas, as the wavelength of the laser was varied from 545nm to 710nm. The complex refractive index of few-layer graphene, n-ik, was extracted from the reflectivity contrast to the bare substrate and the Fresnel reflection theory. Since the SiO 2 thickness enters to the modeling as a parameter, it was precisely measured at the location of the sample. It was found that a common constant optical index cannot explain the wavelength-dependent reflectivity data for single-, double- and three-layer graphene simultaneously, but rather each individual few-layer graphene possesses a unique optical index whose complex values were precisely and accurately determined from the experimental data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2010

Nanofiber Scaffold for Cathode of Solid Oxide Fuel Cell

A high performance solid oxide fuel cell cathode using the yttria-stabilized zirconia (YSZ) nanofibers scaffold with the infiltrated La1-xSrxMnO3 (LSM) shows an enhanced catalytic activity toward oxygen reduction. Such a cathode offers a continuous path for charge transport and an increased number of triple-phase boundary sites.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2013

Combined Theoretical and Experimental Analysis of Processes Determining Cathode Performance in Solid Oxide Fuel Cells

Solid oxide fuel cells (SOFC) are under intensive investigation since the 1980’s as these devices open the way for ecologically clean direct conversion of the chemical energy into electricity, avoiding the efficiency limitation by Carnot’s cycle for thermochemical conversion. However, the practical development of SOFC faces a number of unresolved fundamental problems, in particular concerning the kinetics of the electrode reactions, especially oxygen reduction reaction. We review recent experimental and theoretical achievements in the current understanding of the cathode performance by exploring and comparing mostly three materials: (La,Sr)MnO3 (LSM), (La,Sr)(Co,Fe)O3 (LSCF) and (Ba,Sr)(Co,Fe)O3 (BSCF). Special attention is paid to a critical evaluation of advantages and disadvantages of BSCF, which shows the best cathode kinetics known so far for oxides. We demonstrate that it is the combined experimental and theoretical analysis of all major elementary steps of the oxygen reduction reaction which allows us to predict the rate determining steps for a given material under specific operational conditions and thus control and improve SOFC performance.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2020

Advanced oxygen-electrode-supported solid oxide electrochemical cells with Sr(Ti,Fe)O 3–δ -based fuel electrodes for electricity generation and hydrogen production

Sr(Ti 0.3 Fe 0.7 )O 3–δ (STF) and the associated exsolution electrodes Sr 0.95 (Ti 0.3 Fe 0.63 Ru 0.07 )O 3–δ (STFR), or Sr 0.95 (Ti 0.3 Fe 0.63 Ni 0.07 )O 3–δ (STFN) are alternatives to Ni-based cermet fuel electrodes for solid oxide electrochemical cells (SOCs). They can provide improved tolerance to redox cycling and fuel impurities, and may allow direct operation with hydrocarbon fuels. However, such perovskite-oxide-based electrodes present processing challenges for co-sintering with thin electrolytes to make fuel electrode supported SOCs. Thus, they have been mostly limited to electrolyte-supported SOCs. Here, we report the first example of the application of perovskite oxide fuel electrodes in novel oxygen electrode supported SOCs (OESCs) with thin YSZ electrolytes, and demonstrate their excellent performance. The OESCs have La 0.8 Sr 0.2 MnO 3–δ –Zr 0.92 Y 0.16 O 2–δ (LSM–YSZ) oxygen electrode-supports that are enhanced via infiltration of SrTi 0.3 Fe 0.6 Co 0.1 O 3–δ , while the fuel electrodes are either Ni-YSZ, STF, STFN, or STFR. Fuel cell power density as high as 1.12 W cm –2 is obtained at 0.7 V and 800 °C in humidified hydrogen and air with the STFR electrode, 60% higher than the same cell made with a Ni-YSZ electrode. Electrolysis current density as high as –1.72 A cm –2 is obtained at 1.3 V and 800 °C in 50% H 2 O to 50% H 2 mode; the STFR cell yields a value 72% higher than the same cell made with a Ni-YSZ electrode, and competitive with the widely used conventional Ni-YSZ-supported cells. The high performance is due in part to the low resistance of the thin YSZ electrolyte, and also to the low fuel electrode polarization resistance, which decreases with fuel electrode in the order: Ni-YSZ > STF > STFN > STFR. The high performance of the latter two electrodes is due to exsolution of catalytic metal nanoparticles; the results are discussed in terms of the microstructure and properties of each electrode material, and surface oxygen exchange resistance values are obtained over a range of conditions for STF, STFN, and STFN. Furthermore, the STF fuel electrodes also provide good stability during redox cycling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Chiral symmetry in a hot and dense magnetic medium

We consider the Linear Sigma Model (LSM) in the Mean Field Approximation (MFA) in order to analyze hot and dense two flavor quark matter subject to strong magnetic fields. We pay especial attention to the case of a finite chemical potential, which has not yet been fully explored. Here, we investigate the strength of the chiral transition and the behavior of the sigma meson mass for {mu}= 0 and {mu}{ne} 0 under strong magnetic fields, as well as its effects over the T-{mu} plane.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

Strategy of HPGe screening measurements in the SuperNEMO experiment

SuperNEMO is a double beta decay experiment that will use a tracko-calorimeter technique. The goal is to reach a sensitivity of T{sub 1/2}(0ν)>10{sup 26} y corresponding to an effective Majorana neutrino mass of 0.04-0.11 eV with 100 kg of {sup 82}Se. The general strategy of the HPGe screening measurements is described for the materials of the SuperNEMO demonstrator, regarding their radiopurity and their location. The two platforms, PRISNA and LSM, used for this screening are also briefly described.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Investigations of 2β decay measured by low background HPGe spectrometer OBELIX

A low background high sensitive HPGe spectrometer OBELIX was installed at the Modane Underground Laboratory (LSM, France, 4800 m w.e.). The detector was designed to measure a contamination of enriched isotopes and radio-impurities in construction materials, to investigate rare nuclear processes such as resonance neutrinoless double electron capture and two-neutrino double beta decay to excited states of daughter nuclei. Spectrometer sensitivity, contamination of NEMO-3 sources and results of 2ν2β{sup −} decay of {sup 100}Mo to the 0{sup +} (1130 keV) and 2{sup +} (540 keV) excited states as well as future plans for OBELIX detector are given.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Search for 0ν2β of {sup 100}Mo by NEMO-3 and status of SuperNEMO

The NEMO-3 experiment was devoted to the research of the neutrinoless double beta decay and the precise measurement of the two-neutrino double beta decay of seven isotopes. The detector took data in the Laboratoire Souterrain de Modane (LSM) from 2003 to 2011. The unique combination of a 3D-tracker and a calorimeter allowed to fully reconstruct the double beta decay events topology and strongly reduces the backgrounds. This feature also permitted to characterize the remaining backgrounds in independent analysis channels. With an exposure of 34.7 kg·y of {sup 100}Mo no evidence for the 0ν2β signal has been found, yielding a limit for the light Majorana neutrino mass mechanism of T{sub 1/2}(0ν2β) > 1.1 10{sup 24} years (90 % C.L.) once both statistical and systematic uncertainties are taken into account. Depending on the Nuclear Matrix Elements this corresponds to an upper limit on the Majorana effective neutrino mass of |m{sub ββ}| < 0.3 − 0.9 eV (90 % C.L.). Constraints on other lepton number violating mechanisms of 0ν2β decays are also given. Searching for high-energy double electron events in all suitable sources of the detector, no event in the energy region [3.2-10] MeV is observed for an exposure of 47 kg·y. The next generation experiment, SuperNEMO, will use the same experimental technique to extend the sensitivity on the neutrinoless double beta decay search. Several aspects have been improved compared to NEMO-3: choice of the isotope, energy resolution, energy losses… but the main challenge is the background reduction. All the detector materials have been selected for their low natural radioactivity contaminations through High Purity Germanium (HPGe) gamma spectroscopy. The double beta sources after enrichment are being prepared with extreme care and the ultimate contaminations will be characterized by the most sensitive BiPo detector. External radon tightness and internal radon emanation have been studied to ensure a very low level in the tracker with very sensitive complementary detectors: diffusion apparatus, concentration line and emanation tanks. The construction of the first detector, called the demonstrator, has started in 2012. Studying 7 kg of {sup 82}Se, the demonstrator will reach the NEMO-3 sensitivity in only 5 months and improve it by at least a factor 6 in 2.5 years. Underground installation will start fall 2014 and physics data taking should start by summer 2015.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Radon emanation based material measurement and selection for the SuperNEMO double beta experiment

The SuperNEMO Demonstrator experiment aims to study the neutrinoless double beta decay of 7 kg of {sup 82}Se in order to reach a limit on the light Majorana neutrino mass mechanism T{sub 1/2} (ββ0ν) > 6.5 10{sup 24} years (90%CL) equivalent to a mass sensitivity mβ{sub β} < 0.20 - 0.40 eV (90%CL) in two years of data taking. The detector construction started in 2014 and its installation in the Laboratoire Souterrain de Modane (LSM) is expected during the course of 2015. The remaining level of {sup 226}Ra ({sup 238}U chain) in the detector components can lead to the emanation of {sup 222}Rn gas. This isotope should be controlled and reduced down to the level of a 150 µBq/m{sup 3} in the tracker chamber of the detector to achieve the physics goals. Besides the HPGe selection of the detector materials for their radiopurity, the most critical materials have been tested and selected in a dedicated setup facility able to measure their {sup 222}Rn emanation level. The operating principle relies on a large emanation tank (0.7m{sup 3}) that allows measuring large material surfaces or large number of construction pieces. The emanation tank is coupled to an electrostatic detector equipped with a silicon diode to perform the alpha spectroscopy of the gas it contains and extract the {sup 222}Rn daughters. The transfer efficiency and the detector efficiency have been carefully calibrated through different methods. The intrinsic background of the system allows one to measure 222Rn activities down to 3 mBq, leading to a typical emanation sensitivity of 20 µBq/m{sup 2}/day for a 30 m{sup 2} surface sample. Several construction materials have been measured and selected, such as nylon and aluminized Mylar films, photomultipliers and tracking of the SuperNEMO Demonstrator.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗