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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Tuning electrochemical and transport processes to achieve extreme performance and efficiency in solid oxide cells

Solid oxide cells (SOCs) have important applications as fuel cells and electrolyzers. The application for storage of renewable electricity is also becoming increasingly relevant; however, it is difficult to meet stringent area-specific resistance (ASR) and long-term stability targets needed to achieve required efficiency and cost. Here we show a new SOC that utilizes a very thin Gd-doped ceria (GDC)/yttria-stabilized zirconia (YSZ) bi-layer electrolyte, Ni–YSZ cell support with enhanced porosity, and electrode surface modification using PrO x and GDC nanocatalysts to achieve unprecedented low ASR values < 0.1 Ω cm 2 , fuel cell power density ~3 W cm –2 , and electrolysis current density ~4 A cm –2 at 800 °C. Besides this exceptionally high performance, fuel cell and electrolysis life tests suggest very promising stability in fuel cell and steam electrolysis modes. Furthermore, electrochemical impedance spectroscopy analysis done using a novel impedance subtraction method shows how rate-limiting electrode processes are impacted by the new SOC materials and design.

25 ENERGY STORAGE↗
DOE OSTI2012

Turbulent transport of toroidal angular momentum in fusion plasmas

Global nonlinear gyrokinetic simulations of ion temperature gradient (ITG) and collisionless trapped electron mode (CTEM) turbulence find significant spinning up of a plasma in the directions opposite for CTEM and ITG turbulence. The outward momentum convection by the particle flux could be strong enough to overcome the inward momentum pinch and reverse the radial direction of the convective momentum flux. Momentum pinch velocity shows no explicit dependence on background temperature, while it is significantly affected by steepening the background density. Convective momentum fluxes are generally smaller in the CTEM turbulence than the ITG turbulence, while the intrinsic Prandtl number is similar or slightly larger in the CTEM turbulence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Comment on 'Three-dimensional numerical investigation of electron transport with rotating spoke in a cylindrical anode layer Hall plasma accelerator'[Phys. Plasmas 19, 073519 (2012)]

The oscillation behavior described by Tang et al.[Phys. Plasmas 19, 073519 (2012)] differs too greatly from previous experimental and numerical studies to claim observation of the same phenomenon. Most significantly, the rotation velocity by Tang et al.[Phys. Plasmas 19, 073519 (2012)] is three orders of magnitude larger than that of typical 'rotating spoke' phenomena. Several physical and numerical considerations are presented to more accurately understand the numerical results of Tang et al.[Phys. Plasmas 19, 073519 (2012)] in light of previous studies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Electrical transport properties of Si-doped hexagonal boron nitride epilayers

The suitability of Si as an n-type dopant in hexagonal boron nitride (hBN) wide bandgap semiconductor has been investigated. Si doped hBN epilayers were grown via in-situ Si doping by metal organic chemical vapor deposition technique. Hall effect measurements revealed that Si doped hBN epilayers exhibit n-type conduction at high temperatures (T > 800 K) with an in-plane resistivity of ∼12 Ω·cm, electron mobility of μ ∼ 48 cm{sup 2}/V·s and concentration of n ∼ 1 × 10{sup 16} cm{sup −3}. Temperature dependent resistivity results yielded a Si energy level in hBN of about 1.2 eV, which is consistent with a previously calculated value for Si substitutionally incorporated into the B sites in hBN. The results therefore indicate that Si is not a suitable dopant for hBN for room temperature device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Nanoparticle generation and transport resulting from femtosecond laser ablation of ultrathin metal films: Time-resolved measurements and molecular dynamics simulations

The synthesis of metal nanoparticles by ultrafast laser ablation of nanometers-thick metal films has been studied experimentally and computationally. Near-threshold backside laser ablation of 2–20 nm-thick Pt films deposited on fused silica substrates was found to produce nanoparticles with size distributions that were bimodal for the thicker films, but collapsed into a single mode distribution for the thinnest film. Time-resolved imaging of blackbody emission from the Pt nanoparticles was used to reveal the nanoparticle propagation dynamics and estimate their temperatures. The observed nanoparticle plume was compact and highly forward-directed with a well-defined collective velocity that permitted multiple rebounds with substrates to be revealed. Large-scale molecular dynamics simulations were used to understand the evolution of compressive and tensile stresses in the thicker melted liquid films that lead to their breakup and ejection of two groups of nanoparticles with different velocity and size distributions. Ultrafast laser irradiation of ultrathin (few nm) metal films avoids the splitting of the film and appears to be a method well-suited to cleanly synthesize and deposit nanoparticles from semitransparent thin film targets in highly directed beams.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Ab-initio calculations of electronic, transport, and structural properties of boron phosphide

We present results from ab-initio, self-consistent density functional theory calculations of electronic and related properties of zinc blende boron phosphide (zb-BP). We employed a local density approximation potential and implemented the linear combination of atomic orbitals formalism. This technique follows the Bagayoko, Zhao, and Williams method, as enhanced by the work of Ekuma and Franklin. The results include electronic energy bands, densities of states, and effective masses. The calculated band gap of 2.02 eV, for the room temperature lattice constant of a=4.5383 Å, is in excellent agreement with the experimental value of 2.02±0.05 eV. Our result for the bulk modulus, 155.7 GPa, agrees with experiment (152–155 GPa). Our predictions for the equilibrium lattice constant and the corresponding band gap, for very low temperatures, are 4.5269 Å and 2.01 eV, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Charge-carrier transport and recombination in heteroepitaxial CdTe

We analyze charge-carrier dynamics using time-resolved spectroscopy and varying epitaxial CdTe thickness in undoped heteroepitaxial CdTe/ZnTe/Si. By employing one-photon and nonlinear two-photon excitation, we assess surface, interface, and bulk recombination. Two-photon excitation with a focused laser beam enables characterization of recombination velocity at the buried epilayer/substrate interface, 17.5 μm from the sample surface. Measurements with a focused two-photon excitation beam also indicate a fast diffusion component, from which we estimate an electron mobility of 650 cm² (Vs)⁻¹ and diffusion coefficient D of 17 cm² s⁻¹. We find limiting recombination at the epitaxial film surface (surface recombination velocity S surface = (2.8 ± 0.3) × 10⁵cm s ⁻¹) and at the heteroepitaxial interface (interface recombination velocity S interface = (4.8 ± 0.5) × 10⁵ cm s⁻¹). The results demonstrate that reducing surface and interface recombination velocity is critical for photovoltaic solar cells and electronic devices that employ epitaxial CdTe.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Heat-driven spin transport in a ferromagnetic metal

As a non-magnetic heavy metal is attached to a ferromagnet, a vertically flowing heat-driven spin current is converted to a transverse electric voltage, which is known as the longitudinal spin Seebeck effect (SSE). If the ferromagnet is a metal, this voltage is also accompanied by voltages from two other sources, i.e., the anomalous Nernst effect in both the ferromagnet and the proximity-induced ferromagnetic boundary layer. By properly identifying and carefully separating those different effects, we find that in this pure spin current circuit the additional spin current drawn by the heavy metal generates another significant voltage by the ferromagnetic metal itself which should be present in all relevant experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Model for transport and reaction of defects and carriers within displacement cascades in gallium arsenide

A model is presented for recombination of charge carriers at evolving displacement damage in gallium arsenide, which includes clustering of the defects in atomic displacement cascades produced by neutron or ion irradiation. The carrier recombination model is based on an atomistic description of capture and emission of carriers by the defects with time evolution resulting from the migration and reaction of the defects. The physics and equations on which the model is based are presented, along with the details of the numerical methods used for their solution. The model uses a continuum description of diffusion, field-drift and reaction of carriers, and defects within a representative spherically symmetric cluster of defects. The initial radial defect profiles within the cluster were determined through pair-correlation-function analysis of the spatial distribution of defects obtained from the binary-collision code MARLOWE, using recoil energies for fission neutrons. Properties of the defects are discussed and values for their parameters are given, many of which were obtained from density functional theory. The model provides a basis for predicting the transient response of III-V heterojunction bipolar transistors to displacement damage from energetic particle irradiation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Mechanisms of material removal and mass transport in focused ion beam nanopore formation

Despite the widespread use of focused ion beam (FIB) processing as a material removal method for applications ranging from electron microscope sample preparation to nanopore processing for DNA sequencing, the basic material removal mechanisms of FIB processing are not well understood. We present the first complete atomistic simulation of high-flux FIB using large-scale parallel molecular dynamics (MD) simulations of nanopore fabrication in freestanding thin films. We focus on the root mechanisms of material removal and rearrangement and describe the role of explosive boiling in forming nanopores. FIB nanopore fabrication is typically understood to occur via sputter erosion. This can be shown to be the case in low flux systems, where individual ion impacts are sufficiently separated in time that they may be considered as independent events. But our detailed MD simulations show that in high flux FIB processing, above a threshold level at which thermal effects become significant, the primary mechanism of material removal changes to a significantly accelerated, thermally dominated process. Under these conditions, the target is heated by the ion beam faster than heat is conducted away by the material, leading quickly to melting, and then continued heating to nearly the material critical temperature. This leads to explosive boiling of the target material with spontaneous bubble formation and coalescence. Mass is rapidly rearranged at the atomistic scale, and material removal occurs orders of magnitude faster than would occur by simple sputtering. While the phenomenology is demonstrated computationally in silicon, it can be expected to occur at lower beam fluxes in other cases where thermal conduction is suppressed due to material properties, geometry, or ambient thermal conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Off-stoichiometric silver antimony telluride: An experimental study of transport properties with intrinsic and extrinsic doping

AgSbTe{sub 2} is a thermoelectric semiconductor with an intrinsically low thermal conductivity and a valence band structure that is favorable to obtaining a high thermoelectric figure of merit zT. It also has a very small energy gap Eg ∼ 7.6 ± 3 meV. As this gap is less than the thermal excitation energy at room temperature, near-intrinsic AgSbTe{sub 2} is a two carrier system having both holes (concentration p) and electrons (n). Good thermoelectric performance requires heavy p-type doping (p > > n). This can be achieved with native defects or with extrinsic doping, e.g. with transition metal element. The use of defect doping is complicated by the fact that many of the ternary Ag-Sb-Te and pseudo-binary Sb{sub 2}Te{sub 3}-Ag{sub 2}Te phase diagrams are contradictory. This paper determines the compositional region most favorable to creating a single phase material. Through a combination of intrinsic and extrinsic doping, values of zT > 1 are achieved, though not on single-phased material. Additionally, we show that thermal conductivity is not affected by defects, further demonstrating that the low lattice thermal conductivity of I-V-VI{sub 2} materials is due to an intrinsic mechanism, insensitive to changes in defect structure.

36 MATERIALS SCIENCE↗