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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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We provide a vision for integrating pioneering mass spectrometry technologies for future applications in single cell analysis.
CO is a typical contaminant in hydrogen fuel produced via steam reforming. Development of a CO-tolerant Pt-based anode for the proton-exchange membrane fuel cells (PEMFC) is of great interest to avoid catalyst deactivation caused by strong CO adsorption on Pt. Pt–Ru, Pt–Mo, and Pt 3 Sn are three known Pt-based bimetallic CO-tolerant anode materials. The enhanced CO-tolerance of these alloys has been generally attributed to a bifunctional effect enabling oxidative CO removal at low applied potential and a ligand effect between the two metals which weakens CO bonding and reduces CO surface coverage. In this study, we use density functional theory to calculate surface adsorption states under reaction conditions for Pt-based alloys. Our calculations provide a molecular-level understanding of the enhanced CO-tolerance of Pt alloys induced by the second metal. We find that Mo and Sn dopants promote CO-tolerance by reducing CO surface coverage and enabling CO oxidative removal at low applied potential. In contrast, Ru is not able to promote CO electro-oxidation at the low applied potential of the operating conditions of a PEMFC anode. The CO-tolerance induced by Ru is attributed to the reduction of CO coverage on Pt sites. Based on these mechanisms, we carried out a computational screening of Pt 3 M electrocatalysts for CO-tolerant PEMFC anodes. A number of promising candidates have been identified for experimental examination.
Solid oxide electrolysis cells (SOECs) convert renewable electricity to fuels with efficiency substantially higher than other electrolysis technologies. However, questions remain regarding degradation mechanisms that limit SOEC long-term stability. One of the key degradation mechanisms is oxygen electrode delamination; although prior studies have improved the understanding of this mechanism, it is still difficult to predict how degradation depends on SOEC materials and operating conditions, i.e., temperature, voltage, and current density. Here we present a study aimed at developing a quantitative understanding of oxygen electrode delamination. Experimentally, a life test study of symmetric and full cells with yttria-stabilized zirconia (YSZ) electrolytes and Gd-doped ceria (GDC) barrier layers was done with three different perovskite oxygen electrode materials. Fracture was observed at the perovskite–GDC interface above a critical current density and below a critical operating temperature. A theory is presented that combines a calculation of the effective oxygen pressure across the electrolyte with an estimation of the pressure required for fracture. Fracture is correctly predicted for a critical oxygen partial pressure of ~7200 atm and an associated electrode overpotential of ~0.2 V, occurring at the electrode/GDC interface because of the relatively low perovskite fracture toughness. As a result, damage at the GDC/YSZ interface was also observed in some cases and explained by a peak in the oxygen pressure at this interface.
We report two different fromation mechanisms of triangular Au nanoplate through transformation of truncated octahedron and the direct formation and growth of triangular seed using liquid-cell TEM. This work stresses the great significances of thermodynamics and kinetics in the formation of triangular nanoplate and shape transformation.
Scanning 3DXRD was used to visualize strain localization at grain boundaries with a high spatial resolution of 100 nm.
A functional zinc-oxide based SONOS memory cell with ultra-thin chromium oxide trapping layer was fabricated. A 5 nm CrO{sub 2} layer is deposited between Atomic Layer Deposition (ALD) steps. A threshold voltage (V{sub t}) shift of 2.6V was achieved with a 10V programming voltage. Also for a 2V V{sub t} shift, the memory with CrO{sub 2} layer has a low programming voltage of 7.2V. Moreover, the deep trapping levels in CrO{sub 2} layer allows for additional scaling of the tunnel oxide due to an increase in the retention time. In addition, the structure was simulated using Physics Based TCAD. The results of the simulation fit very well with the experimental results providing an understanding of the charge trapping and tunneling physics.
Recombination through band tail localized states is studied analytically and by measurement of the forward-bias dark current as a function of temperature in three different organic bulk-heterojunction solar cells. The Shockley-Read-Hall mechanism is analyzed for the specific case of recombination between mobile carriers and an exponential distribution of localized band tail states. The analysis gives a simple relation between the dark current ideality factor and the band tail slope. Assumptions of the model are verified by numerical drift-diffusion modeling. Diode current-voltage measurements give good agreement with the analytical model, confirming that the band tail recombination mechanism applies to at least some organic solar cells. Deep traps provide a secondary recombination channel in some devices.
This contribution describes a new local structure compatible gas/liquid cell apparatus for probing disordered materials at high pressures and variable temperatures in the Neutron Powder Diffraction instrument at the Lujan Neutron Scattering Center, Los Alamos National Laboratory. The new sample environment offers choices for sample canister thickness and canister material type. Finite element modeling is utilized to establish maximum allowable working pressures of 414 MPa at 15 K and 121 MPa at 600 K. High quality atomic pair distribution function data extraction and modeling have been demonstrated for a calibration standard (Si powder) and for supercritical and subcritical CO 2 measurements. As a result, the new sample environment was designed to specifically target experimental studies of the local atomic structures involved in geologic CO 2 sequestration, but will be equally applicable to a wide variety of energy applications, including sorption of fluids on nano/meso-porous solids, clathrate hydrate formation, catalysis, carbon capture, and H 2 and natural gas uptake/storage.
The superconducting RF linac for Linac Coherent Light Source-II calls for 1.3 GHz 9-cell cavities with an average intrinsic quality factor Q{sub 0} of 2.7 × 10{sup 10} at 2.0 K and 16 MV/m accelerating gradient. Two niobium 9 cell cavities, prepared with nitrogen-doping at Fermilab, were assembled into the Cornell Horizontal Test Cryomodule (HTC) to test cavity performance in a cryomodule that is very similar to a full LCLS-II cryomodule. The cavities met LCLS-II specifications with an average quench field of 17 MV/m and an average Q{sub 0} of 3 × 10{sup 10}. The sensitivity of the cavities' residual resistance to ambient magnetic field was determined to be 0.5 nΩ/mG during fast cool down. In two cool downs, a heater attached to one of the cavity beam tubes was used to induce large horizontal temperature gradients. Here, we report on the results of these first tests of nitrogen-doped cavities in a cryomodule, which provide critical information for the LCLS-II project.
Kinetic, time-dependent, electromagnetic, particle-in-cell simulations of the inductive current divider are presented. The inductive current divider is a passive method for controlling the trajectory of an intense, hollow electron beam using a vacuum structure that inductively splits the beam’s return current. The current divider concept was proposed and studied theoretically in a previous publication [Phys. Plasmas 22, 023107 (2015)] A central post carries a portion of the return current (I 1 ) while the outer conductor carries the remainder (I 2 ) with the injected beam current given by I b =I 1 +I 2 . The simulations are in agreement with the theory which predicts that the total force on the beam trajectory is proportional to (I 2 -I 1 ) and the force on the beam envelope is proportional to I b . For a fixed central post, the beam trajectory is controlled by varying the outer conductor radius which changes the inductance in the return-current path. The simulations show that the beam emittance is approximately constant as the beam propagates through the current divider to the target. As a result, independent control over both the current density and the beam angle at the target is possible by choosing the appropriate return-current geometry.
The coarsening of Ni in Ni–yttria-stabilized zirconia (YSZ) anodes is a potential cause of long term solid oxide fuel cells (SOFC) performance degradation. The specifics of the Ni-YSZ structure—including Ni/YSZ ratio, porosity, and particle size distributions—are normally selected to minimize anode polarization resistance, but they also impact long-term stability. A better understanding of how these factors influence long-term stability is important for designing more durable anodes. The effect of structural details, e.g., Ni-YSZ ratio, on Ni coarsening has not been quantified. Furthermore, prior measurements have been done by comparing evolved structures with control samples, such that sample-to-sample variations introduce errors. Here in this paper, we report a four dimensional (three spatial dimensions and time) study of Ni coarsening in Ni-YSZ anode functional layers with different Ni/YSZ ratios, using synchrotron x-ray nano-tomography. The continuous structural evolution was observed and analyzed at sub-100 nm resolution. It is shown quantitatively that increasing the Ni/YSZ ratio increases the Ni coarsening rate. This is due to both increased pore volume and a decrease in the YSZ volume fraction, such that there is more free volume and a less obtrusive YSZ network, both of which allow greater Ni coarsening. The results are shown to be in good agreement with a power-law coarsening model. In conclusion, the finding is critical for informing the design of SOFC electrode microstructures that limit coarsening and performance degradation.
Stable tissue integrity during embryonic development relies on the function of the cadherin·catenin complex (CCC). The Caenorhabditis elegans CCC is a useful paradigm for analyzing in vivo requirements for specific interactions among the core components of the CCC, and it provides a unique opportunity to examine evolutionarily conserved mechanisms that govern the interaction between α- and β-catenin. HMP-1, unlike its mammalian homolog α-catenin, is constitutively monomeric, and its binding affinity for HMP-2/β-catenin is higher than that of α-catenin for β-catenin. A crystal structure shows that the HMP-1·HMP-2 complex forms a five-helical bundle structure distinct from the structure of the mammalian α-catenin·β-catenin complex. Deletion analysis based on the crystal structure shows that the first helix of HMP-1 is necessary for binding HMP-2 avidly in vitro and for efficient recruitment of HMP-1 to adherens junctions in embryos. HMP-2 Ser-47 and Tyr-69 flank its binding interface with HMP-1, and we show that phosphomimetic mutations at these two sites decrease binding affinity of HMP-1 to HMP-2 by 40–100-fold in vitro. In vivo experiments using HMP-2 S47E and Y69E mutants showed that they are unable to rescue hmp-2(zu364) mutants, suggesting that phosphorylation of HMP-2 on Ser-47 and Tyr-69 could be important for regulating CCC formation in C. elegans. Our data provide novel insights into how cadherin-dependent cell–cell adhesion is modulated in metazoans by conserved elements as well as features unique to specific organisms.
We present the results of the first fully three-dimensional particle-in-cell simulations of decaying whistler turbulence in a magnetized, homogeneous, collisionless plasma in which both forward cascades to shorter wavelengths, and inverse cascades to longer wavelengths are allowed to proceed. For the electron beta β {sub e} = 0.10 initial value considered here, the early-time rate of inverse cascade is very much smaller than the rate of forward cascade, so that at late times the fluctuation energy in the regime of the inverse cascade is much weaker than that in the forward cascade regime. Similarly, the wavevector anisotropy in the inverse cascade regime is much weaker than that in the forward cascade regime.
Pressure profoundly alters all states of matter. The symbiotic development of ultrahigh-pressure diamond anvil cells, to compress samples to sustainable multi-megabar pressures; and synchrotron x-ray techniques, to probe materials' properties in situ, has enabled the exploration of rich high-pressure (HP) science. In this article, we first introduce the essential concept of diamond anvil cell technology, together with recent developments and its integration with other extreme environments. We then provide an overview of the latest developments in HP synchrotron techniques, their applications, and current problems, followed by a discussion of HP scientific studies using x-rays in the key multidisciplinary fields. These HP studies include: HP x-ray emission spectroscopy, which provides information on the filled electronic states of HP samples; HP x-ray Raman spectroscopy, which probes the HP chemical bonding changes of light elements; HP electronic inelastic x-ray scattering spectroscopy, which accesses high energy electronic phenomena, including electronic band structure, Fermi surface, excitons, plasmons, and their dispersions; HP resonant inelastic x-ray scattering spectroscopy, which probes shallow core excitations, multiplet structures, and spin-resolved electronic structure; HP nuclear resonant x-ray spectroscopy, which provides phonon densities of state and time-resolved Mössbauer information; HP x-ray imaging, which provides information on hierarchical structures, dynamic processes, and internal strains; HP x-ray diffraction, which determines the fundamental structures and densities of single-crystal, polycrystalline, nanocrystalline, and non-crystalline materials; and HP radial x-ray diffraction, which yields deviatoric, elastic and rheological information. Integrating these tools with hydrostatic or uniaxial pressure media, laser and resistive heating, and cryogenic cooling, has enabled investigations of the structural, vibrational, electronic, and magnetic properties of materials over a wide range of pressure-temperature conditions.
We present time-resolved synchrotron x-ray diffraction to probe the {epsilon}-{delta} phase transition of iron during pulse-laser heating in a diamond anvil cell. The system utilizes a monochromatic synchrotron x-ray beam, a two-dimensional pixel array x-ray detector and a dual beam, double side laser-heating system. Multiple frames of the diffraction images are obtained in real-time every 22 ms over 500 ms of the entire pulse heating period. The results show the structural evolution of iron phases at 17 GPa, resulting in thermal expansion coefficient 1/V({Delta}V/{Delta}T){sub p} = 7.1 x 10{sup -6}/K for {epsilon}-Fe and 2.4 x 10{sup -5}/K for {gamma}-Fe, as well as the evidence for metastability of {gamma}-Fe at low temperatures below the {epsilon}-{gamma} phase boundary.
Abstract Solid-oxide fuel cells (SOFCs) offer great promise for producing electricity using a wide variety of fuels such as natural gas, coal gas and gasified carbonaceous solids; however, conventional nickel-based anodes face great challenges due to contaminants in readily available fuels, especially sulphur-containing compounds. Thus, the development of new anode materials that can suppress sulphur poisoning is crucial to the realization of fuel-flexible and cost-effective SOFCs. In this work, La0.1Sr1.9Fe1.4Ni0.1Mo0.5O6–δ (LSFNM) and Pr0.1Sr1.9Fe1.4Ni0.1Mo0.5O6–δ (PSFNM) materials have been synthesized using a sol-gel method in air and investigated as anode materials for SOFCs. Metallic nanoparticle-decorated ceramic anodes were obtained by the reduction of LSFNM and PSFNM in H2 at 850°C, forming a Ruddlesden–Popper oxide with exsolved FeNi3 bimetallic nanoparticles. The electrochemical performance of the Sr2Fe1.4Ni0.1Mo0.5O6–δ ceramic anode was greatly enhanced by La doping of A-sites, resulting in a 44% decrease in the polarization resistance in reducing atmosphere. The maximum power densities of Sr- and Mg-doped LaGaO3 (LSGM) (300 μm) electrolyte-supported single cells with LSFNM as the anode reached 1.371 W cm −2 in H2 and 1.306 W cm–2 in 50 ppm H2S–H2 at 850°C. Meanwhile, PSFNM showed improved sulphur tolerance, which could be fully recovered after six cycles from H2 to 50 ppm H2S–H2 operation. This study indicates that LSFNM and PSFNM are promising high-performance anodes for SOFCs.
Abstract not provided
Here, we investigate the nature of occupation and relaxation within the charge transfer density of states (CT DOS) for bulk heterojunction organic solar cells consisting of the donor boron subphthalocyanine chloride and the acceptor C 60 . We observe relaxation of geminate CT states on a sub-ns timescale via an approximately 70-meV dynamic redshift in their photoluminescence, whereas free carrier relaxation at longer times leads to the formation of nongeminate CT states at even lower energy. In steady state, we find that thermalization within the DOS is incomplete, resulting in a Boltzmann-like CT state distribution characterized by an effective temperature above that of the ambient. These findings confirm that electron and hole populations can be far from equilibrium in organic solar cells and may prompt a reassessment of analyses that assume the same temperature for their charge-carrier distributions in the dark and under illumination.