Validation of a lattice Boltzmann model for gas-solid reactions with experiments

A lattice Boltzmann method is used to model gas-solid reactions where the composition of both the gas and solid phase changes with time, while the boundary between phases remains fixed. The flow of the bulk gas phase is treated using a multiple relaxation time MRT D3Q19 model; the dilute reactant is treated as a passive scalar using a single relaxation time BGK D3Q7 model with distinct inter- and intraparticle diffusivities. A first-order reaction is incorporated by modifying the method of Sullivan et al. [13] to include the conversion of a solid reactant. The detailed computational model is able to capture the multiscale physics encountered in reactor systems. Specifically, the model reproduced steady state analytical solutions for the reaction of a porous catalyst sphere (pore scale) and empirical solutions for mass transfer to the surface of a sphere at Re=10 (particle scale). Excellent quantitative agreement between the model and experiments for the transient reduction of a single, porous sphere of Fe 2O 3 to Fe 3O 4 in CO at 1023K and 10 5Pa is demonstrated. Model solutions for the reduction of a packed bed of Fe 2O 3 (reactor scale) at identical conditions approached those of experiments after 25 s, but required prohibitively long processor times. The presented lattice Boltzmann model resolved successfully mass transport at the pore, particle and reactor scales and highlights the relevance of LB methods for modelling convection, diffusion and reaction physics. © 2012 Elsevier Inc.

Size effects in the conical indentation of an elasto-plastic solid

The size effect in conical indentation of an elasto-plastic solid is predicted via the Fleck and Willis formulation of strain gradient plasticity (Fleck, N.A. and Willis, J.R., 2009, A mathematical basis for strain gradient plasticity theory. Part II: tensorial plastic multiplier, J. Mech. Phys. Solids, 57, 1045-1057). The rate-dependent formulation is implemented numerically and the full-field indentation problem is analyzed via finite element calculations, for both ideally plastic behavior and dissipative hardening. The isotropic strain-gradient theory involves three material length scales, and the relative significance of these length scales upon the degree of size effect is assessed. Indentation maps are generated to summarize the sensitivity of indentation hardness to indent size, indenter geometry and material properties (such as yield strain and strain hardening index). The finite element model is also used to evaluate the pertinence of the Johnson cavity expansion model and of the Nix-Gao model, which have been extensively used to predict size effects in indentation hardness. © 2012 Elsevier Ltd.

A finite element model of magnetization of superconducting bulks using a solid-state flux pump

Superconductors have a bright future; they are able to carry very high current densities, switch rapidly in electronic circuits, detect extremely small perturbations in magnetic fields, and sustain very high magnetic fields. Of most interest to large-scale electrical engineering applications are the ability to carry large currents and to provide large magnetic fields. There are many projects that use the first property, and these have concentrated on power generation, transmission, and utilization; however, there are relatively few, which are currently exploiting the ability to sustain high magnetic fields. The main reason for this is that high field wound magnets can and have been made from both BSCCO and YBCO, but currently, their cost is much higher than the alternative provided by low-Tc materials such as Nb3Sn and NbTi. An alternative form of the material is the bulk form, which can be magnetized to high fields. This paper explains the mechanism, which allows superconductors to be magnetized without the need for high field magnets to perform magnetization. A finite-element model is presented, which is based on the E-J current law. Results from this model show how magnetization of the superconductor builds up cycle upon cycle when a traveling magnetic wave is induced above the superconductor. © 2011 IEEE.

2 μm solid-state laser mode-locked by single-layer graphene

We report a 2 μm ultrafast solid-state Tm: Lu2O3 laser, mode-locked by single-layer graphene, generating transform-limited ∼ 410 fs pulses, with a spectral width ∼ 11.1 nm at 2067 nm. The maximum average output power is 270 mW, at a pulse repetition frequency of 110 MHz. This is a convenient high-power transform-limited ultrafast laser at 2 μm for various applications, such as laser surgery and material processing. © 2013 American Institute of Physics.

Investigation of fluorine three-dimensional redistribution during solid-phase-epitaxial-regrowth of amorphous Si

The fluorine redistribution during partial solid-phase-epitaxial-regrowth at 650°C of a preamorphized Si substrate implanted by F was investigated by atom probe tomography (APT), transmission electron microscopy, and secondary ions mass spectrometry. Three-dimensional spatial distribution of F obtained by APT provides a direct observation of F-rich clusters with a diameter of less than 1.5 nm. Density variation compatible with cavities and F-rich molecular ions in correspondence of clusters are in accordance with cavities filled by SiF 4 molecules. Their presence only in crystalline Si while they are not revealed by statistical analysis in amorphous suggests that they form at the amorphous/crystal interface. © 2012 American Institute of Physics.

Fluorine redistribution and incorporation during solid phase epitaxy of preamorphized Si

The redistribution of fluorine during solid phase epitaxial regrowth (SPER) of preamorphized Si has been experimentally investigated, explained, and simulated, for different F concentrations and temperatures. We demonstrate, by a detailed analysis and modeling of F secondary ion mass spectrometry chemical-concentration profiles, that F segregates in amorphous Si during SPER by splitting in three possible states: (i) a diffusive one that migrates in amorphous Si; (ii) an interface segregated state evidenced by the presence of a F accumulation peak at the amorphous-crystal interface; (iii) a clustered F state. The interplay among these states and their roles in the F incorporation into crystalline Si are fully described. It is shown that diffusive F migrates by a trap limited diffusion mechanism and also interacts with the advancing interface by a sticking-release dynamics that regulates the amount of F segregated at the interface. We demonstrate that this last quantity determines the regrowth rate through an exponential law. On the other hand we show that neither the diffusive F nor the one segregated at the interface can directly incorporate into the crystal but F has to cluster in the amorphous phase before being incorporated in the crystal, in agreement with recent experimental observations. The trends of the model parameters as a function of the temperature are shown and discussed obtaining a clear energetic scheme of the F redistribution and incorporation in preamorphized Si. The above physical understanding and the model could have a strong impact on the use of F as a tool for optimizing the doping profiles in the fabrication of ultrashallow junctions. © 2010 The American Physical Society.

Failure and formation of axial nanowire heterostructures in vapor-liquid-solid growth

To observe the axial growth behavior of InAs on GaAs nanowires, InAs was grown for different growth durations on GaAs nanowires using Au nanoparticles. Through transmission electron microscopy, we have observed the following evolution steps for the InAs growth. (1) In the initial stages of the InAs growth, InAs clusters into a wedge shape preferentially at an edge of the Au/GaAs interface by minimizing Au/InAs interfacial area; (2) with further growth of InAs, the Au particle moves sidewards and then downwards by preserving an interface with GaAs nanowire sidewalls. The lower interfacial energy of Au/GaAs than that of Au/In As is attributed to be the reason for such Au movement. This downward movement of the Au nanoparticle later terminates when the nanoparticle encounters InAs growing radially on the GaAs nanowire sidewalls, and with further supply of In and As vapor reactants, the Au nanoparticle assists the formation of InAs branches. These observations give some insights into vapor-liquid-solid growth and the formation of kinks in nanowire heterostructures. © 2008 Materials Research Society.

Mixing and internal dynamics of droplets impacting and coalescing on a solid surface.

The coalescence and mixing of a sessile and an impacting liquid droplet on a solid surface are studied experimentally and numerically in terms of lateral separation and droplet speed. Two droplet generators are used to produce differently colored droplets. Two high-speed imaging systems are used to investigate the impact and coalescence of the droplets in color from a side view with a simultaneous gray-scale view from below. Millimeter-sized droplets were used with dynamical conditions, based on the Reynolds and Weber numbers, relevant to microfluidics and commercial inkjet printing. Experimental measurements of advancing and receding static contact angles are used to calibrate a contact angle hysteresis model within a lattice Boltzmann framework, which is shown to capture the observed dynamics qualitatively and the final droplet configuration quantitatively. Our results show that no detectable mixing occurs during impact and coalescence of similar-sized droplets, but when the sessile droplet is sufficiently larger than the impacting droplet vortex ring generation can be observed. Finally we show how a gradient of wettability on the substrate can potentially enhance mixing.

Introducing carbon diffusion barriers for uniform, high-quality graphene growth from solid sources.

Carbon diffusion barriers are introduced as a general and simple method to prevent premature carbon dissolution and thereby to significantly improve graphene formation from the catalytic transformation of solid carbon sources. A thin Al2O3 barrier inserted into an amorphous-C/Ni bilayer stack is demonstrated to enable growth of uniform monolayer graphene at 600 °C with domain sizes exceeding 50 μm, and an average Raman D/G ratio of <0.07. A detailed growth rationale is established via in situ measurements, relevant to solid-state growth of a wide range of layered materials, as well as layer-by-layer control in these systems.

The influence of 1D, meso- and crystal structures on charge transport and recombination in solid-state dye-sensitized solar cells

We have prepared single crystalline SnO2 and ZnO nanowires and polycrystalline TiO2 nanotubes (1D networks) as well as nanoparticle-based films (3D networks) from the same materials to be used as photoanodes for solid-state dye-sensitized solar cells. In general, superior photovoltaic performance can be achieved from devices based on 3-dimensional networks, mostly due to their higher short circuit currents. To further characterize the fabricated devices, the electronic properties of the different networks were measured via the transient photocurrent and photovoltage decay techniques. Nanowire-based devices exhibit extremely high, light independent electron transport rates while recombination dynamics remain unchanged. This indicates, contrary to expectations, a decoupling of transport and recombination dynamics. For typical nanoparticle-based photoanodes, the devices are usually considered electron-limited due to the poor electron transport through nanocrystalline titania networks. In the case of the nanowire-based devices, the system becomes limited by the organic hole transporter used. In the case of polycrystalline TiO2 nanotube-based devices, we observe lower transport rates and higher recombination dynamics than their nanoparticle-based counterparts, suggesting that in order to improve the electron transport properties of solid-state dye-sensitized solar cells, single crystalline structures should be used. These findings should aid future design of photoanodes based on nanowires or porous semiconductors with extended crystallinity to be used in dye-sensitized solar cells. © 2013 The Royal Society of Chemistry.