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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

H ii REGION G46.5-0.2: THE INTERPLAY BETWEEN IONIZING RADIATION, MOLECULAR GAS, AND STAR FORMATION

H ii regions are particularly interesting because they can generate dense layers of gas and dust, elongated columns or pillars of gas pointing toward the ionizing sources, and cometary globules of dense gas where triggered star formation can occur. Understanding the interplay between the ionizing radiation and the dense surrounding gas is very important to explain the origin of these peculiar structures, and hence to characterize triggered star formation. G46.5-0.2 (G46), a poorly studied galactic H ii region located at about 4 kpc, is an excellent target for performing this kind of study. Using public molecular data extracted from the Galactic Ring Survey ({sup 13}CO J = 1–0) and from the James Clerk Maxwell Telescope data archive ({sup 12}CO, {sup 13}CO, C{sup 18}O J = 3–2, HCO{sup +}, and HCN J = 4–3), and infrared data from the GLIMPSE and MIPSGAL surveys, we perform a complete study of G46, its molecular environment, and the young stellar objects (YSOs) placed around it. We found that G46, probably excited by an O7V star, is located close to the edge of the GRSMC G046.34-00.21 molecular cloud. It presents a horse-shoe morphology opening in the direction of the cloud. We observed a filamentary structure in the molecular gas likely related to G46 and not considerable molecular emission toward its open border. We found that about 10′ to the southwest of G46 there are some pillar-like features, shining at 8 μm and pointing toward the H ii region open border. We propose that the pillar-like features were carved and sculpted by the ionizing flux from G46. We found several YSOs likely embedded in the molecular cloud grouped in two main concentrations: one, closer to the G46 open border consisting of Class II type sources, and another mostly composed of Class I type YSOs located just ahead of the pillar-like features, strongly suggesting an age gradient in the YSO distribution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Tricoupled hybrid lattice Boltzmann model for nonisothermal drying of colloidal suspensions in micropore structures

A tricoupled hybrid lattice Boltzmann model (LBM) is developed to simulate colloidal liquid evaporation and colloidal particle deposition during the nonisothermal drying of colloidal suspensions in micropore structures. An entropic multiple-relaxation-time multirange pseudopotential two-phase LBM for isothermal interfacial flow is first coupled to an extended temperature equation for simulating nonisothermal liquid drying. Then the coupled model is further coupled with a modified convection diffusion equation to consider the nonisothermal drying of colloidal suspensions. Two drying examples are considered. First, drying of colloidal suspensions in a two-pillar micropore structure is simulated in two dimensions (2D), and the final configuration of colloidal particles is compared with the experimental one. Good agreement is observed. Second, at the temperature of 343.15 K ( 70°C ), drying of colloidal suspensions in a complex spiral-shaped micropore structure containing 220 pillars is simulated (also in 2D). The drying pattern follows the designed spiral shape due to capillary pumping, i.e., transport of the liquid from larger pores to smaller ones by capillary pressure difference. Because the colloidal particles are passively carried with liquid, they accumulate at the small menisci as drying proceeds. As liquid evaporates at the small menisci, colloidal particles are deposited, eventually forming solid structures between the pillars (primarily), and at the base of the pillars (secondarily). As a result, the particle deposition conforms to the spiral route. Qualitatively, the simulated liquid and particle configurations agree well with the experimental ones during the entire drying process. Quantitatively, the model demonstrates that the evaporation rate and the particle accumulation rate slowly decrease during drying, similar to what is seen in the experimental results, which is due to the reduction of the liquid-vapor interfacial area. In conclusion, the hybrid model shows the capability and accuracy for simulating nonisothermal drying of colloidal suspensions in a complex micropore structure both qualitatively and quantitatively, as it includes all the required physics and captures all the complex features observed experimentally. Such a tricoupled LBM has a high potential to become an efficient numerical tool for further investigation of real and complex engineering problems incorporating drying of colloidal suspensions in porous media.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Meso-Structured Polymer Electrolyte Fuel Cell Electrode

Increasing the utilization of Pt and Pt alloy catalysts in polymer electrolyte fuel cell cathodes is critical to improving the high power density operation, particularly at low Pt loadings. State of the art electrodes are fabricated in an ink deposition process that leads to uncontrolled electrode architecture with random aggregates of functional domains (catalyst, ionomer, and pore volume) (1). The randomness in the domains induces high tortuosity transport pathways for ions and fluids, which cause severe transport resistance during high current density operation. Thin ionomer films cause additional transport resistance and poisoning of the Pt catalyst, which becomes more significant at low Pt loadings. Reducing the amount of ionomer in the catalyst domain without affecting the ionic transport resistance is key to improving the utilization of the Pt and reducing the transport resistance at low Pt loading. Rational design of the electrode structure with controlled low tortuous ionic transport pathways could improve performance. The introduction of the ionomer pathways could also enable reduction of the ionomer volume in the catalyst domain, reducing the transport resistance. Middelmen et al. proposed electrode structures consisting of aligned components in a low tortuosity configuration to improve performance (2). In this work, we present an alternative electrode structure based on a vertically aligned array of Nafion pillars in the cathode catalyst layer, as shown in Figure 1a. Figure 1b shows the SEM image of the Nafion pillars. Furthermore, Pt supported on carbon catalyst was deposited on the Nafion pillars to fabricate a meso-structured electrode. Nafion pillars provide high conductive and low tortuous pathways for protons, reducing the effective transport distance, and enabling reduction of the ionomer binder in the catalyst domain.

25 ENERGY STORAGE↗
DOE OSTI2020

2020 Annual Report of Available Drawdowns for Each Oil Storage Cavern in the Strategic Petroleum Reserve

The Department of Energy maintains an up-to-date documentation of the number of available full drawdowns of each of the caverns owned by the Strategic Petroleum Reserve (SPR). This information is important for assessing the SPR's ability to deliver oil to domestic oil companies expeditiously if national or world events dictate a rapid sale and deployment of the oil reserves. Sandia was directed to develop and implement a process to continuously assess and report the evolution of drawdown capacity, the subject of this report. A cavern has an available drawdown if after that drawdown, the long-term stability of the cavern, the cavern field, or the oil quality are not compromised. Thus, determining the number of available drawdowns requires the consideration of several factors regarding cavern and wellbore integrity and stability, including stress states caused by cavern geometry and operations, salt damage caused by dilatant and tensile stresses, the effect of enhanced creep on wellbore integrity, and the sympathetic stress effect of operations on neighboring caverns. A consensus has now been built regarding the assessment of drawdown capabilities and risks for the SPR caverns. The process involves an initial assessment of the pillar-to-diameter (P/D) ratio for each cavern with respect to neighboring caverns. A large pillar thickness between adjacent caverns should be strong enough to withstand the stresses induced by closure of the caverns due to salt creep. The first evaluation of P/D includes a calculation of the evolution of P/D after a number of full cavern drawdowns. The most common storage industry standard is to keep this value greater than 1.0, which should ensure a pillar thick enough to prevent loss of fluids to the surrounding rock mass. However, many of the SPR caverns currently have a P/D less than 1.0 or will likely have a low P/D after one or two full drawdowns. For these caverns, it is important to examine the structural integrity with more detail using geomechanical models. Finite-element geomechanical models have been used to determine the stress states in the pillars following successive drawdowns. By computing the tensile and dilatant stresses in the salt, areas of potential structural instability can be identified that may represent "red flags" for additional drawdowns. These analyses have found that many caverns will maintain structural integrity even when grown via drawdowns to dimensions resulting in a P/D of less than 1.0. The analyses have also confirmed that certain caverns should only be completely drawn down one time. As the SPR caverns are utilized and partial drawdowns are performed to remove oil from the caverns (e.g., for occasional oil sales authorized by the Congress or the President), the changes to the cavern caused by these procedures must be tracked and accounted for so that an ongoing assessment of the cavern's drawdown capacity may be continued. A proposed methodology for assessing and tracking the available drawdowns for each cavern was presented in Sobolik et al. (2018). This report includes an update to the baseline drawdowns for each cavern, and provides an initial assessment of the evolution of drawdown expenditure for several caverns

02 PETROLEUM↗
DOE OSTI2020

SMART Mobility. Modeling Workflow Development, Implementation, and Results Capstone Report

The U.S. Department of Energy’s Systems and Modeling for Accelerated Research in Transportation (SMART) Mobility Consortium is a multiyear, multi-laboratory collaborative, managed by the Energy Efficient Mobility Systems Program of the Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, dedicated to further understanding the energy implications and opportunities of advanced mobility technologies and services. The first three-year research phase of SMART Mobility occurred from 2017 through 2019, and included five research pillars: Connected and Automated Vehicles, Mobility Decision Science, Multi-Modal Freight, Urban Science, and Advanced Fueling Infrastructure. A sixth research thrust integrated aspects of all five pillars to develop a SMART Mobility Modeling Workflow to evaluate new transportation technologies and services at scale. This report summarizes the work of the SMART Mobility Modeling Workflow effort. The SMART Mobility Modeling Workflow was developed to evaluate new transportation technologies such as connectivity, automation, sharing, and electrification through multi-level systems analysis that captures the dynamic interactions between technologies. By integrating multiple models across different levels of fidelity and scale, the Workflow yields insights about the influence of new mobility and vehicle technologies at the system level. For information about the other Pillars, please refer to the relevant pillar’s Capstone Report.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Available Drawdowns for Each Oil Storage Cavern in the Strategic Petroleum Reserve (2021 Annual Report)

The Department of Energy maintains an up-to-date documentation of the number of available full drawdowns of each of the caverns owned by the Strategic Petroleum Reserve (SPR). This information is important for assessing the SPRs ability to deliver oil to domestic oil companies expeditiously if national or world events dictate a rapid sale and deployment of the oil reserves. Sandia was directed to develop and implement a process to continuously assess and report the evolution of drawdown capacity, the subject of this report. A cavern has an available drawdown if after that drawdown, the long-term stability of the cavern, the cavern field, or the oil quality are not compromised. Thus, determining the number of available drawdowns requires the consideration of several factors regarding cavern and wellbore integrity and stability, including stress states caused by cavern geometry and operations, salt damage caused by dilatant and tensile stresses, the effect of enhanced creep on wellbore integrity, and the sympathetic stress effect of operations on neighboring caverns. A consensus has now been built regarding the assessment of drawdown capabilities and risks for the SPR caverns (Sobolik et al., 2014; Sobolik 2016). The process involves an initial assessment of the pillar - to - diameter (P/D) ratio for each cavern with respect to neighboring caverns. A large pillar thickness between adjacent caverns should be strong enough to withstand the stresses induced by closure of the caverns due to salt creep. The first evaluation of P/D includes a calculation of the evolution of P/D after a number of full cavern drawdowns. The most common storage industry standard is to keep this value greater than 1.0, which should ensure a pillar thick enough to prevent loss of fluids to the surrounding rock mass. However, many of the SPR caverns currently have a P/D less than 1.0 or will likely have a low P/D after one or two full drawdowns. For these caverns, it is important to examine the structural integrity with more detail using geomechanical models. Finite-element geomechanical models have been used to determine the stress states in the pillars following successive drawdowns. By computing the tensile and dilatant stresses in the salt, areas of potential structural instability can be identified that may represent red flags for additional drawdowns. These analyses have found that many caverns will maintain structural integrity even when grown via drawdowns to dimensions resulting in a P/D of less than 1.0. The analyses have also confirmed that certain caverns should only be completely drawn down one time. As the SPR caverns are utilized and partial drawdowns are performed to remove oil from the caverns (e.g., for occasional oil sales , purchases, or exchanges authorized by the Congress or the President), the changes to the cavern caused by these procedures must be tracked and accounted for so that an ongoing assessment of the caverns drawdown capacity may be continued. A proposed methodology for assessing and tracking the available drawdowns for each cavern was presented in Sobolik et al. (2018). This report is the latest in a series of annual reports, and it includes the baseline available drawdowns for each cavern, and the most recent assessment of the evolution of drawdown expenditure for several caverns .

02 PETROLEUM↗
DOE OSTI2022

Available Drawdowns for Each Oil Storage Cavern in the Strategic Petroleum Reserve (2022 Annual Report)

The Department of Energy maintains an up-to-date documentation of the number of available full drawdowns of each of the caverns owned by the Strategic Petroleum Reserve (SPR). This information is important for assessing the SPR's ability to deliver oil to domestic oil companies expeditiously if national or world events dictate a rapid sale and deployment of the oil reserves. Sandia was directed to develop and implement a process to continuously assess and report the evolution of drawdown capacity, the subject of this report. A cavern has an available drawdown if after that drawdown, the long-term stability of the cavern, the cavern field, or the oil quality are not compromised. Thus, determining the number of a vailable drawdowns requires the consideration of several factors regarding cavern and wellbore integrity and stability, including stress states caused by cavern geometry and operations, salt damage caused by dilatant and tensile stresses, the effect of enhanced creep on wellbore integrity, and the sympathetic stress effect of operations on neighboring caverns. A consensus has now been built regarding the assessment of drawdown capabilities and risks for the SPR caverns (Sobolik et al., 2014; Sobolik 2016). The process involves an initial assessment of the pillar-to-diameter (P/D) ratio for each cavern with respect to neighboring caverns. A large pillar thickness between adjacent caverns should be strong enough to withstand the stresses induced by closure of the caverns due to salt creep. The first evaluation of P/D includes a calculation of the evolution of P/D after a number of full cavern drawdowns. The most common storage industry standard is to keep this value greater than 1.0, which should ensure a pillar thick enough to prevent loss of fluids to the surrounding rock mass. However, many of the SPR caverns currently have a P/D less than 1.0 or will likely have a low P/D after one or two full drawdowns. For these caverns, it is important to examine the s tructural integrity with more detail using geomechanical models. Finite - element geomechanical models have been used to determine the stress states in the pillars following successive drawdowns. By computing the tensile and dilatant stresses in the salt, areas of potential structural instability can be identified that may represent "red flags" for additional drawdowns. These analyses have found that many caverns will maintain structural integrity even when grown via drawdowns to dimensions resulting in a P/D of less than 1.0. The analyses have also confirmed that certain caverns should only be completely drawn down one time. As the SPR caverns are utilized and partial drawdowns are performed to remove oil from the caverns (e.g., for occasional oil sales , purchases, or exchanges authorized by the Congress or the President), the changes to the cavern caused by these procedures must be tracked and accounted for so that an ongoing assessment of the cavern's drawdown capacity may be continued. A proposed methodology for assessing and tracking the available drawdowns for each cavern was presented in Sobolik et al. (2018). This report is the latest in a series of annual reports, and it includes the baseline available drawdowns for each cavern, and the most recent assessment of the evolution of drawdown expenditure for several caverns.

02 PETROLEUM↗
NASA NTRS2022

Simulation-based Study of Single-Event Burnout in 4H-SiC High-Voltage Vertical Superjunction DMOSFET: Physical Failure Mechanism and Robustness vs. Performance Tradeoffs

We explore and elucidate physical failure mechanisms in a 4H-SiC, high voltage, superjunction (SJ) vertical DMOSFET from a single heavy ion strike using three-dimensional electro-thermal transient simulations. The single-event burnout (SEB) failure is thermal runaway from second breakdown, initiated by impact ionization and terminated with mesoplasma formation, at the center of the P-pillar/N+ substrate interface. We also demonstrate that the SEB performance of this SiC SJ DMOSFET is insensitive to the pillar width but sensitive to the strike location with ion strike at the P-pillar causing SEB at a lower blocking voltage than at the N-pillar. Compared to commercially available 1.2 kV blocking-rated non-SJ DMOSFETs, which have been demonstrated to survive SEB up to 525 V, the SJ DMOSFET increases SEB survival threshold voltage (VSEB) by a factor of 2.2, making it close to 1200 V, while the on-resistance is increased by only 11%. Using our recently developed figure of merit (FoM), which considers the trade-off between VSEB and on-state performance, we find that the SiC SJ DMOSFET achieves a FoM that is 14 times better, making it superior to conventional 1.2 kV SiC DMOSFETs for long-term radiation-tolerant operation in space applications.

Silicon Carbide↗
DOE OSTI2012

Method to planarize three-dimensional structures to enable conformal electrodes

Methods for fabricating three-dimensional PIN structures having conformal electrodes are provided, as well as the structures themselves. The structures include a first layer and an array of pillars with cavity regions between the pillars. A first end of each pillar is in contact with the first layer. A segment is formed on the second end of each pillar. The cavity regions are filled with a fill material, which may be a functional material such as a neutron sensitive material. The fill material covers each segment. A portion of the fill material is etched back to produce an exposed portion of the segment. A first electrode is deposited onto the fill material and each exposed segment, thereby forming a conductive layer that provides a common contact to each the exposed segment. A second electrode is deposited onto the first layer.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Dispersionless and dispersion-controlled optical dielectric metasurfaces

Metasurfaces comprise an array of pillars in a lattice. The dimensions of the pillars and the spacing are varied to obtain desired optical properties. The dispersionless metasurfaces can focus optical light over a broad wavelength range. Specific dispersion profiles for the metasurfaces can be designed. Gratings can be fabricated having similar properties as the array of pillars. Pillars in the metasurfaces can have different cross-section profiles.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Interactive statistical decision tools (GiSdT): An open source software integration of decision analysis and stakeholder judgment for sustainable waste management, disposal and remediation - 15650

The vast majority of remediation and waste management decisions are made without quantitative consideration of economic and socio-political factors. They are made instead based on quantitative metrics of human health risk. Sustainable decisions need to be made based on all three 'pillars of sustainability' (economics, environment and social), and require understanding and characterization of the costs and values associated with each pillar. In addition, such decisions need to conform to regulatory or other legal requirements, which often constrains the decision space of interest. Although efforts are often made to include factors across all three pillars (for example, for decisions made under CERCLA), these efforts are usually qualitative, and hence difficult to defend. They lack technical defensibility, transparency and traceability. The purpose of GiSdT (Guided Interactive Statistical Decision Tools) is to provide a quantitative framework whereby all aspects of a decision problem, such as remediation and waste management decisions, can be addressed quantitatively, and hence, defensibly, transparently and traceably. Most decision-makers do not currently have access to useful or usable methods and approaches when are presented with choices that have significant impacts across all three pillars of sustainability. The goal of GiSdT is to provide that access by identifying or developing effective and user-friendly decision methods and approaches that empower decision-makers to explicitly and routinely incorporate all aspects of sustainability into their decision-making. To identify and develop these methods and approaches, GiSdT provides the tools needed for decision-makers and stakeholders to understand and characterize their knowledge of their current decision-making processes, and what methods and approaches they need to pro-actively and quantitatively address all aspects of sustainability in their decisions. GiSdT is an open source interactive framework program that provides the tools needed to address the relevant components of a sustainability-based decision problem, including describing the decision landscape, translating that landscape into goals and objectives, valuing the measurable attributes that describe each objective, identifying decision options and addressing the uncertainty in the attributes (e.g., human health risk, institutional controls) through appropriate probabilistic models. In addition to addressing these quantitative technical components, the GiSdT program is aimed at facilitating stakeholder involvement so that the perspectives, values and objectives are all relevant stakeholders are addressed explicitly in the decision making process. The technical underpinnings of our software program, called Guided Interactive Statistical Decision Tools (GiSdT), are described. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Controlled Formation of Stacked Si Quantum Dots in Vertical SiGe Nanowires

In this work, we demonstrate the ability to fabricate vertically stacked Si quantum dots (QDs) within SiGe nanowires with QD diameters down to 2 nm. These QDs are formed during high-temperature dry oxidation of Si/SiGe heterostructure pillars, during which Ge diffuses along the pillars’ sidewalls and encapsulates the Si layers. Continued oxidation results in QDs with sizes dependent on oxidation time. The formation of a Ge-rich shell that encapsulates the Si QDs is observed, a configuration which is confirmed to be thermodynamically favorable with molecular dynamics and density functional theory. The type-II band alignment of the Si dot/SiGe pillar suggests that charge trapping on the Si QDs is possible, and electron energy loss spectra show that a conduction band offset of at least 200 meV is maintained for even the smallest Si QDs. Our approach is compatible with current Si-based manufacturing processes, offering a new avenue for realizing Si QD devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Slip transmission of high angle grain boundaries in body-centered cubic metals: Micropillar compression of pure Ta single and bi-crystals

In this study, we seek to probe and understand the mechanical behavior of grain boundaries in pure Ta as a model bcc material using micropillar compression experiments. Three high angle grain boundaries are chosen with varying crystal orientations. Multiple bi-crystal pillars are prepared containing a single, nearly vertical grain boundary in the approximate center of the pillar and compared against their single crystalline pillar counterparts. The main phenomenon of interest was slip transmission or strain transfer in the bi-crystals which was considered to occur when slip traces aligned across the grain boundary. This occurred in two of the three bi-crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Experimental and theoretical investigations on the adherent behaviors of high viscosity liquid: The effect of surface topography

Wetting test and classical molecular dynamics (MD) simulations were employed to investigate the adherent behaviors of hydroxyl-terminated polybutadiene (HTPB), a typical high viscosity liquid widely used as a binder in rocket motor propellants, onto the copper (Cu) surfaces with different topographies. Experimental data show that the microstructures protruding above the substrate surfaces can be ‘sensed’ by the HTPB droplet, which has been indicated by the smaller contact angles and higher interface tension for this specific liquid on the rough surfaces (featured with sinusoidal structures or square pillars) than that on the smooth surface. Simulation results reveal the atomic details of spreading process of HTPB chains, with diverse diffusion propensities presented on different surfaces. The HTPB droplet spreads widely on the smooth surface, exhibiting a roughly isotropic trend. On the contrary, the state of this high viscosity liquid on the sinusoidal-structured surface is featured by wide contact diffusion along the run of groove, but relatively restricted extension in the direction perpendicular to the groove, as a result of the barriers exerted by the nearest neighbouring peaks. The existence of nanoscale pillars increases the exterior surface area of Cu substrate, therefore the HTPB chains can penetrate deep to envelop the peripheries of the pillars, forming abundant direct contacts with Cu surface and producing a highest HTPB–Cu interaction energy, which well accords with the experimental results about the adherent strength of HTPB.

Wu, Chunya↗
DOE OSTI2021

A predictive discrete-continuum multiscale model of plasticity with quantified uncertainty

Multiscale models of materials, consisting of upscaling discrete simulations to continuum models, are unique in their capability to simulate complex materials behavior. The fundamental limitation in multiscale models is the presence of uncertainty in the computational predictions delivered by them. In this work, a sequential multiscale model has been developed, incorporating discrete dislocation dynamics (DDD) simulations and a strain gradient plasticity (SGP) model to predict the size effect in plastic deformations of metallic micro-pillars. The DDD simulations include uniaxial compression of micro-pillars with different sizes and over a wide range of initial dislocation densities and spatial distributions of dislocations. An SGP model is employed at the continuum level that accounts for the size-dependency of flow stress and hardening rate. Sequences of uncertainty analyses have been performed to assess the predictive capability of the multiscale model. The variance-based global sensitivity analysis determines the effect of parameter uncertainty on the SGP model prediction. The multiscale model is then constructed by calibrating the continuum model using the data furnished by the DDD simulations. A Bayesian calibration method is implemented to quantify the uncertainty due to microstructural randomness in discrete dislocation simulations (density and spatial distribution of dislocations) on the macroscopic continuum model prediction (size effect in plastic deformation). Here, the outcomes of this study indicate that the discrete-continuum multiscale model can accurately simulate the plastic deformation of micro-pillars, despite the significant uncertainty in the DDD results. Additionally, depending on the macroscopic features represented by the DDD simulations, the SGP model can reliably predict the size effect in plasticity responses of the micropillars with below 10% of error.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Microstructure, crystallization and shape memory behavior of titania and yttria co-doped zirconia

Small volume zirconia ceramics with few or no grain boundaries have been demonstrated recently to exhibit the shape memory effect. To explore the shape memory properties of yttria doped zirconia (YDZ), it is desirable to develop large, microscale grains, instead of submicron grains that result from typical processing of YDZ. In this paper, we have successfully produced single crystal micro-pillars from microscale grains encouraged by the addition of titania during processing. Titania has been doped into YDZ ceramics and its effect on the grain growth, crystallization and microscale elemental distribution of the ceramics have been systematically studied. With 5 mol% titania doping, the grain size can be increased up to ~4 μm, while retaining a large quantity of the desired tetragonal phase of zirconia. Finally, micro-pillars machined from tetragonal grains exhibit the expected shape memory effects where pillars made from titania-free YDZ would not.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Non-planar platinum group metal-free fuel cell cathodes for enhanced oxygen transport and water rejection

Proton exchange membrane fuel cells (PEMFC) with cathodes using platinum group metal-free (PGM-free) catalysts could significantly reduce costs, but the lower volumetric oxygen reduction reaction (ORR) activity requires thick electrodes that suffer from liquid water flooding and increased oxygen transport resistance. To address these challenges, we developed a 3D gas diffusion electrode (GDE) architecture to enhance liquid water removal through the diffusion media and reduce cathode saturation. The cathode features a uniform catalyst layer adjacent to the membrane for high ORR activity and then pillars of the hydrophilic catalyst layer that pass through the microporous layer (MPL), providing a low capillary pressure barrier pathway to the carbon fiber paper layer and channel. The non-planar cathode also increases the interfacial area between the catalyst layer and hydrophobic MPL for a greater fraction of the cathode with high O 2 concentration. Our studies included parametric experimental study of the pillar density to identify the optimum pitch between pillars. Our measurements show significant improvements in the mass transport region of the polarization curve with 3D structured electrodes leading to an 8% increase in maximum current density, 19% increase in maximum power density, and 16% increase in current density at 0.67 V with air.

25 ENERGY STORAGE↗
DOE OSTI2011

Synthesis and characterization of T[Ni(CN){sub 4}].2pyz with T=Fe, Ni; pyz=pyrazine: Formation of T-pyz-Ni bridges

The formation of T-pyz-Ni bridges (pyz=pyrazine) in the T[Ni(CN){sub 4}].2pyz series is known for T=Mn, Zn, Cd and Co but not with T=Fe, Ni. In this contribution the existence of such bridges also for T=Fe, Ni is discussed. The obtained pillared solids, T[Ni(CN){sub 4}].2pyz, were characterized from XRD, TG, UV-Vis, IR, Raman, Moessbauer and magnetic data. Their crystal structures were refined in the orthorhombic Pmna space group from XRD powder patterns. The structural behavior of these solids on cooling down to 77 K was also studied. In the 180-200 K temperature range the occurrence of a structural transition to a monoclinic structure (P2{sub 1}/c space group) was observed. No temperature induced spin transition was observed for Fe[Ni(CN){sub 4}].2pyz. The iron (II) was found to be in high spin electronic state and this configuration is preserved on cooling down to 2 K. The magnetic data indicate the occurrence of a low temperature weak anti-ferromagnetic interaction between T metal centers within the T[Ni(CN){sub 4}] layer. In the paramagnetic region for Ni[Ni(CN){sub 4}].2pyz, a reversible temperature induced spin transition for the inner Ni atom was detected. - Graphical abstract: Rippled sheets structure for the pillared solids T[Ni(CN){sub 4}].2pyz. The pyrazine molecule is found forming T-pyz-Ni bridges between neighboring layers. Highlights: > Pillared 2D solids. > Inorganic-organic solids. > Assembling of molecular blocks. > From 1D and 2D building blocks to 3D solids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗