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At least 19 records

Coalescence-controlled and coalescence-free growth regimes during deposition of pulsed metal vapor fluxes on insulating surfaces

The morphology and physical properties of thin films deposited by vapor condensation on solid surfaces are predominantly set by the processes of island nucleation, growth, and coalescence. When deposition is performed using pulsed vapor fluxes, three distinct nucleation regimes are known to exist depending on the temporal profile of the flux. These regimes can be accessed by tuning deposition conditions; however, their effect on film microstructure becomes marginal when coalescence sets in and erases morphological features obtained during nucleation. By preventing coalescence from being completed, these nucleation regimes can be used to control microstructure evolution and thus access a larger palette of film morphological features. Recently, we derived the quantitative criterion to stop coalescence during continuous metal vapor flux deposition on insulating surfaces—which typically yields 3-dimensional growth—by describing analytically the competition between island growth by atomic incorporation and the coalescence rate of islands [Lü et al., Appl. Phys. Lett. 105, 163107 (2014)]. Here, we develop the analytical framework for entering a coalescence-free growth regime for metal vapor deposition on insulating substrates using pulsed vapor fluxes, showing that there exist three distinct criteria for suppressing coalescence that correspond to the three nucleation regimes of pulsed vapor flux deposition. The theoretical framework developed herein is substantiated by kinetic Monte Carlo growth simulations. Our findings highlight the possibility of using atomistic nucleation theory for pulsed vapor deposition to control morphology of thin films beyond the point of island density saturation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The island coalescence problem: Scaling of reconnection in extended fluid models including higher-order moments

As modeling of collisionless magnetic reconnection in most space plasmas with realistic parameters is beyond the capability of today's simulations, due to the separation between global and kinetic length scales, it is important to establish scaling relations in model problems so as to extrapolate to realistic scales. Recently, large scale particle-in-cell simulations of island coalescence have shown that the time averaged reconnection rate decreases with system size, while fluid systems at such large scales in the Hall regime have not been studied. Here, we perform the complementary resistive magnetohydrodynamic (MHD), Hall MHD, and two fluid simulations using a ten-moment model with the same geometry. In contrast to the standard Harris sheet reconnection problem, Hall MHD is insufficient to capture the physics of the reconnection region. Additionally, motivated by the results of a recent set of hybrid simulations which show the importance of ion kinetics in this geometry, we evaluate the efficacy of the ten-moment model in reproducing such results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Surface Pb nanoparticle aggregation, coalescence and differential capacitance in a deep eutectic solvent using a simultaneous sample-rotated small angle x-ray scattering and electrochemical methods approach [Surface Pb nanoparticle aggregation, coalescence and differential capacitance in a deep eutectic solvent using a simultaneous grazing transmission small angle x-ray scattering and electrochemical methods approach]

Nanoparticle electrodeposition is a simple and scalable approach to synthesizing supported nanoparticles. Used with a deep eutectic solvent (DES), surface nanoparticles can be assembled and exhibit unique surface charge separation when the DES is adsorbed on the nanoparticle surface. Key to understanding and controlling the assembly and the capacitance is a thorough understanding of surface particle mobility and charge screening, which requires an in-situ approach. In this study, Pb particle formation, size, shape and capacitance are resolved in a 1:2 choline Cl – : urea deep eutectic solvent whilst sweeping the cell potential in the range: 0.2 V to –1.2 V (vs. Ag/AgCl). These system parameters were resolved using a complementary suite of sample-rotated small angle X-ray scattering (SR-SAXS) and electrochemical impedance spectroscopy (EIS), which are presented and discussed in detail. This approach is able to show that both particle and ion transport are impeded in the DES, as aggregation occurs over the course of 6 minutes, and dissolved Pb ions accumulate and remain near the surface after a nucleation pulse is applied. The DES-Pb interactions strongly depend on the cell potential as evidenced by the specific differential capacitance of the Pb deposit, which has a maximum value of 2.5 +/– 0.5 F g –1 at –1.0 V vs. Ag/AgCl. Together, the SR-SAXS-EIS approach is able to characterize the unique nanoparticle capacitance, mobility and ion mobility in a DES and can be used to study a wide range of nanoparticle deposition systems in-situ .

36 MATERIALS SCIENCE↗

Characterization of Solids Deposited on the Modular Caustic-Side Solvent Extraction Unit (MCU) Strip Effluent (SE) Coalescer Media Removed in April 2015

On June 2015, Savannah River National Laboratory (SRNL) received a Strip Effluent (SE) coalescer (FLT-304) from MCU. That coalescer was first installed at MCU in late October 2014 and removed in April 2015. While processing approximately 48,700 gallons of strip solution, the pressure drop steadily increased linearly from 1 psi to near 16 psi (the administrative limit is 17 psi) with the total filtrate volume (2.1E-4 psi/gal of filtrate). The linear behavior is due to the combined effect of a constant deposition of material that starts from the closed-end to the mid-section of the coalescer reducing the available surface area of the coalescer for fluid passage (linearly with filtrate volume) and the formation of a secondary emulsion (water in NG-CSSX) on the fibers of the coalescer media. Both effects reduced the coalescer porosity by at least 13% (after processing 48,700 gallons). Before the coalescer was removed, it was flushed with a 10 mM boric acid solution to reduce the dose level. To determine the nature of the deposited material, a physical and chemical analysis of the coalescer was conducted. Characterization of this coalescer revealed the adsorption of organic containing amines (secondary amides and primary amines), TiDG, degraded modifier (with no hydroxyl group), MaxCalix, and oxidized hydrocarbon (possibly from Isopar™L or from lubricant used at MCU) onto the coalescer media. The amide and amines are possibly from the decomposition of the suppressor (TiDG). The modifier and MaxCalix were the largest components of the deposited organic material, as determined from leaching the coalescer with dichloromethane. Both the Fourier-Transformed Infrared (FTIR) and Fourier-Transformed Hydrogen Nuclear Magnetic Resonance (FT-HNMR) results indicated that some of the modifier was degraded (missing their OH groups). The modifier was observed everywhere in the examined coalescer pieces (FTIR), while the TiDG and its decomposition products were observed at the entrance discs of the coalescer. A solvent trim (a cocktail of solvent components with a high concentration of modifier) was added to the solvent on 2/22/2015. It is believed that the trim did not mix completely with the solvent and that it was subsequently spread around the MCU components including the coalescers, where it may have deposited. Chronologically, the modifier, the TiDG’s decomposition products and silicates deposited on the entrance discs first and after the pressure drop increased significantly, parts of the coalescer media detached itself from the central porous steel mandrel and a significant amount of steel debris, mercury, titanium, and additional aluminum and silicates deposited on the coalescer.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Characterization of solids deposited on the modular caustic-side solvent extraction unit (MCU) coalescer media removed in October 2014

In February 2015, Savannah River National Laboratory (SRNL) received a Strip Effluent (SE) coalescer (FLT-304) from MCU. That coalescer was first installed at MCU in July 2014 and removed in October 2014. While processing approximately 31,400 gallons of strip solution, the pressure drop steadily increased from 1 psi to beyond the administrative limit of 20 psi. The physical and chemical analysis was conducted on this coalescer to determine the mechanism that led to the plugging of this coalescer. Characterization of this coalescer revealed the adsorption of organic containing amines as well as MCU modifier. The amines are probably from the decomposition of the suppressor (TiDG) as well as from bacteria. This adsorption may have changed the surface energetics (characteristics) of the coalescer fibers and therefore, their wetting behavior. A very small amount of inorganic solids were found to have deposited on this coalescer (possibly an artifact of cleaning the coalescer with Boric acid. However, we believe that inorganic precipitation, as has been seen in the past, did not play a role in the high pressure drop rise of this coalescer. With regards to the current practice of reducing the radioactive content of the SE coalescer, it is recommended that future SE coalescer should be flushed with 10 mM boric acid which is currently used at MCU. Plugging of the SE coalescer was most likely due to the formation and accumulation of a water-in-oil emulsion that reduced the overall porosity of the coalescer. There is also evidence that a bimodal oil particle distribution may have entered and deposited in the coalescer and caused the initial increase in pressure drop.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Coalescence of GaP on V-Groove Si

In recent years, better understanding and control over the formation of crystalline defects during the direct epitaxy of III-V semiconductors on Si substrates via metal organic vapor phase epitaxy (MOVPE) has enabled large gains in III-V-on-Si solar cell efficiency, pointing to pathway to lower-cost, high-performance III-V solar cells. However, such results have only been achieved on costly chemo-mechanically-polished (CMP) Si wafers. The use of V-groove nanopatterned Si substrates has demonstrated similarly high-crystalline-quality III-V-on-Si epitaxy, but also can be combined with lower-cost polishing techniques. Although they offer a potential cost advantage, growth on V-groove substrates adds challenges not present for epitaxy on planar wafers (the III-V material must be coalesced into a thin film after an initial nucleation stage). MOVPE growth conditions that promote highly facet-selective lateral growth needed for coalescence are generally actively avoided for conventional thin fim growth, so growth conditions need to be re-developed for V-groove-based epitaxy. Additionally, coalescence add complexity to the dislocation dynamics related to lattice relaxation, so strategies used to keep threading dislocation density (TDD) low on planar substrates need to be re-tuned for V-grooves. We have studied the morphological evolution and dislocation dynamics of GaP grown on V-groove Si by MOVPE. Growth conditions of V/III=5,000 and Tg=800 degrees C were uniquely found to produce extremely smooth coalesced thin films, with an RMS roughness of 0.2 nm measured by AFM. Additionally, at this growth condition, we identified two regimes of growth determined by the width of the SiNx cap (a remnant of the nanopatterning process) at the top of the V-grooves. For narrow caps, the GaP coalesces into a thin film, and for wide caps, the GaP evolves into {1 1 1}-faceted diamonds that do not coalesce. We suggest the influence of Si from the sidewalls of the V-grooves on the surface reconstruction of the GaP as the mechanism for this effect, with reflection difference spectroscopy (RDS) and Si doping experiments supporting this theory. In addition to morphology, the dislocation dynamics of the system were studied with electron channeling contrast imaging (ECCI) and transmission electron microscopy (TEM). The TDD of the coalesced GaP films was found to be 5 x 10^7 cm^-2 after coalescence via ECCI, a level still too high for high-quality solar cells. However, misfit dislocations crossing multiple grooves greater than 20 micrometers long were observed in ECCI, suggesting that the V-grooves do not block dislocation glide. TEM prior to and after coalescence was used to distinguish between dislocation creation driven by growth conditions and coalescence. Finally, strategies to reduce the dislocation density to levels acceptable for solar cells will be discussed.

GaP↗

Recent results and persisting problems in modeling flow induced coalescence

The contribution summarizes recent results of description of the flow induced coalescence in immiscible polymer blends and addresses problems that call for which solving. The theory of coalescence based on the switch between equations for matrix drainage between spherical or deformed droplets provides a good agreement with more complicated modeling and available experimental data for probability, P{sub c}, that the collision of droplets will be followed by their fusion. A new equation for description of the matrix drainage between deformed droplets, applicable to the whole range of viscosity ratios, p, of the droplets and matrixes, is proposed. The theory facilitates to consider the effect of the matrix elasticity on coalescence. P{sub c} decreases with the matrix relaxation time but this decrease is not pronounced for relaxation times typical of most commercial polymers. Modeling of the flow induced coalescence in concentrated systems is needed for prediction of the dependence of coalescence rate on volume fraction of droplets. The effect of the droplet anisometry on P{sub c} should be studied for better understanding the coalescence in flow field with high and moderate deformation rates. A reliable description of coalescence in mixing and processing devices requires proper modeling of complex flow fields.

36 MATERIALS SCIENCE↗

Atomic-Scale Dynamics of Five-Fold Twin Mediated Coalescence: Pathway-Dependent and Defect-Governed Nonclassical Growth Mechanisms

Defective crystals with distinct properties have been discovered in many systems. However, the growth mechanism of defective crystals is still poorly understood. Here, in this work, using a 5-fold twinned gold (Au) nanocrystal (NC) as a model system, three new coalescence pathways involving detwinning or twinning have been uncovered through atomic-scale dynamic observations in an aberration-corrected transmission electron microscope coupled with atomistic simulations. This demonstrates that beyond crystal size, coalescence growth dynamics involving 5-fold twins (5-FTs) are highly dependent on crystal defect density and the approach pathways of the crystals. When a 5-FT encounters a smaller 5-FT or a smaller NC in a face-to-face way, a new, larger 5-FT is produced at a relatively fast coalescence growth rate; while in a corner-to-corner way, the coalescence dynamics are more retarded and sluggish, which is conducive to the formation of complex multitwined structures rather than 5-FTs. This highlights that the planar defect density and crystal approach pathway influence the coalescence dynamics of crystals containing 5-FT. Moreover, a column-by-column grain boundary (GB) migration mechanism, which results in bent GBs, was also unveiled during the crystal coalescence process. These results enrich the general understanding of the crystal growth theory and provide new insights into the controllable fabrication of 5-FTs by crystal coalescence mechanisms.

crystallization↗

Identifying and tracking bubbles and drops in simulations: A toolbox for obtaining sizes, lineages, and breakup and coalescence statistics

Knowledge of bubble and drop size distributions in two-phase flows is important for characterizing a wide range of phenomena, including combustor ignition, sonar communication, and cloud formation. The physical mechanisms driving the background flow also drive the time evolution of these distributions. Accurate and robust identification and tracking algorithms for the dispersed phase are necessary to reliably measure this evolution and thereby quantify the underlying mechanisms in interface-resolving flow simulations. The identification of individual bubbles and drops traditionally relies on an algorithm used to identify connected regions. This traditional algorithm can be sensitive to the presence of spurious structures. A cost-effective refinement is proposed to maximize volume accuracy while minimizing the identification of spurious bubbles and drops. An accurate identification scheme is crucial for distinguishing bubble and drop pairs with large size ratios. The identified bubbles and drops need to be tracked in time to obtain breakup and coalescence statistics that characterize the evolution of the size distribution, including breakup and coalescence frequencies, and the probability distributions of parent and child bubble and drop sizes. An algorithm based on mass conservation is proposed to construct bubble and drop lineages using simulation snapshots that are not necessarily from consecutive time steps. These lineages are then used to detect breakup and coalescence events, and obtain the desired statistics. Accurate identification of large-size-ratio bubble and drop pairs enables accurate detection of breakup and coalescence events over a large size range. Accurate detection of successive breakup and coalescence events requires that the snapshot interval be an order of magnitude smaller than the characteristic breakup and coalescence times to capture these successive events while minimizing the identification of repeated confounding events. Together, these algorithms serve as a toolbox for detailed analysis of two-phase simulations, and enable insights into the mechanisms behind bubble and drop formation and evolution in flows of practical importance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Coalescence of GaAs on (001) Si nano-trenches based on three-stage epitaxial lateral overgrowth

The coalescence of selective area grown GaAs regions has been performed on patterned 1.8 μm GaAs buffer layer on Si via metal-organic chemical vapor deposition. We propose a promising method of three-stage epitaxial lateral overgrowth (ELO) to achieve uniform coalescence and flat surface. Rough surface caused by the coalescence of different growth fronts is smoothened by this method. Low root-mean-square surface roughness of 6.29 nm has been obtained on a 410-nm-thick coalesced ELO GaAs layer. Cross-sectional transmission electron microscope study shows that the coalescence of different growth fronts will induce some new dislocations. However, the coalescence-induced dislocations tend to mutually annihilate and only a small part of them reach the GaAs surface. High optical quality of the ELO GaAs layer has been confirmed by low temperature (77 K) photoluminescence measurements. This research promises a very large scale integration platform for the monolithic integration of GaAs-based device on Si.

36 MATERIALS SCIENCE↗

Dynamic measurements and simulations of airborne picolitre-droplet coalescence in holographic optical tweezers

We report studies of the coalescence of pairs of picolitre aerosol droplets manipulated with holographic optical tweezers, probing the shape relaxation dynamics following coalescence by simultaneously monitoring the intensity of elastic backscattered light (EBL) from the trapping laser beam (time resolution on the order of 100 ns) while recording high frame rate camera images (time resolution <10 μs). The goals of this work are to: resolve the dynamics of droplet coalescence in holographic optical traps; assign the origin of key features in the time-dependent EBL intensity; and validate the use of the EBL alone to precisely determine droplet surface tension and viscosity. For low viscosity droplets, two sequential processes are evident: binary coalescence first results from the overlap of the optical traps on the time scale of microseconds followed by the recapture of the composite droplet in an optical trap on the time scale of milliseconds. As droplet viscosity increases, the relaxation in droplet shape eventually occurs on the same time scale as recapture, resulting in a convoluted evolution of the EBL intensity that inhibits quantitative determination of the relaxation time scale. Droplet coalescence was simulated using a computational framework to validate both experimental approaches. The results indicate that time-dependent monitoring of droplet shape from the EBL intensity allows for robust determination of properties such as surface tension and viscosity. Finally, the potential of high frame rate imaging to examine the coalescence of dissimilar viscosity droplets is discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Void coalescence and ductile failure in IN718 investigated via high-energy synchrotron X-ray tomography and diffraction

Ductile failure through the growth and coalescence of voids is of particular relevance for many engineering materials. Yet, the lack of experimental measurements of the mechanical state of the material at an appropriate length scale has limited further understanding of the regime of ductile failure. In this study, local grain-scale experimental measurements are used to determine their relevance for describing and predicting ductile failure. Additive manufactured materials, due to the presence of inherent porosity, as well as the ability to tailor internal porosity, provides a promising avenue to study ductile failure. Selective laser melting is used to manufacture a specially designed specimen with two large, internal voids, in addition to the natural porosity, which is characteristic to the production process. The initial porosity and its evolution upon tensile loading are characterized via micro tomography. Several locations of void coalescence are captured in the sample, revealing activity of multiple modes of failure. Finite element simulations, with a simplified J2 plasticity model, instantiated with the initial void structure, is deployed, in which geometric localizations of stress concentration corresponded with experimentally observed sites of coalescence but was inadequate in capturing the appropriate failure mechanism. Furthermore, from the experimental results of the far-field high-energy diffraction microscopy, the heterogeneous micromechanical state is identified and tracked around voids due to the local grain interactions. These experiments determine narrow bands of low stress triaxiality, at the onset of failure, which highlight the path of coalescence through intervoid shearing. Diffraction spot spreading analysis aided characterization of intragranular plasticity and strain heterogeneity, which can be coupled with high triaxiality to form the conditions inducive for coalescence through intervoid necking. In this study, the experimentally determined grain-scale description of the micromechanical state provides a physical basis that can accurately capture both the sites and the mechanism of void coalescence at the onset of ductile failure.

36 MATERIALS SCIENCE↗

Inertial impedance of coalescence during collision of liquid drops

The fluid dynamics of the collision and coalescence of liquid drops has intrigued scientists and engineers for more than a century owing to its ubiquitousness in nature, e.g. raindrop coalescence, and industrial applications, e.g. breaking of emulsions in the oil and gas industry. The complexity of the underlying dynamics, which includes occurrence of hydrodynamic singularities, has required study of the problem at different scales – macroscopic, mesoscopic and molecular – using stochastic and deterministic methods. In this work, a multi-scale, deterministic method is adopted to simulate the approach, collision, and eventual coalescence of two drops where the drops as well as the ambient fluid are incompressible, Newtonian fluids. The free boundary problem governing the dynamics consists of the Navier–Stokes system and associated initial and boundary conditions that have been augmented to account for the effects of disjoining pressure as the separation between the drops becomes of the order of a few hundred nanometres. This free boundary problem is solved by a Galerkin finite element-based algorithm. The interplay of inertial, viscous, capillary and van der Waals forces on the coalescence dynamics is investigated. It is shown that, in certain situations, because of inertia two drops that are driven together can first bounce before ultimately coalescing. This bounce delays coalescence and can result in the computed value of the film drainage time departing significantly from that predicted from existing scaling theories.

Mechanics↗