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At least 1,513 records · Page 84

Substrate temperature control for the formation of metal nanohelices by glancing angle deposition

The targets of this study are to develop a device to precisely control the temperature during glancing angle deposition, to make films consisting of low melting temperature metal nanoelements with a controlled shape (helix), and to explore the substrate temperature for controlling the nanoshapes. A vacuum evaporation system capable of both cooling a substrate and measurement of its temperature was used to form thin films consisting of arrays of Cu and Al nanohelices on silicon substrates by maintaining the substrate temperature at T{sub s}/T{sub m} < 0.22 (T{sub s} is the substrate temperature and T{sub m} is the melting temperature of target material). The critical T{sub s}/T{sub m} to produce Cu and Al nanohelices corresponds to the transitional homologous temperature between zones I and II in the structure zone model for the solid film, where surface diffusion becomes dominant. X-ray diffraction analysis indicated that the Cu and Al nanohelix thin films were composed of coarse oriented grains with diameters of several tens of nanometers.

42 ENGINEERING↗

Optimization of Triply Periodic Minimal Surface Heat Exchanger to Achieve Compactness, High Efficiency, and Low-Pressure Drop

With advancements in additive manufacturing (AM) techniques, high-quality triply periodic minimal surface (TPMS) structures can now be produced. TPMS walled heat exchangers (HX) hold significant potential for industrial applications and are receiving increasing attention. This paper explores the impact of various TPMS design variables on flow and thermal performance to optimize TPMS heat exchangers for compactness, high efficiency, and low pressure drop. The design variables examined include the type of TPMS lattice, unit cell size, wall thickness, aspect ratio, TPMS orientation, and equivalent thickness. The study reveals that the flow and heat transfer performance of TPMS structures are significantly affected by these design variables. For the Gyroid, Diamond, and SplitP lattices, performance is nearly identical when the surface-to-volume ratio is kept constant. The average velocity of the fluid in the TPMS HX should be 0.3 m/s. The corresponding Re is between 300~800. Thin wall thickness, small equivalent thickness, and flat lattice configurations can significantly reduce pressure drop while maintaining the overall heat transfer coefficient. Additionally, the angle between the flow direction and TPMS orientation can increase pressure drop. Three aluminum heat exchangers were successfully printed using an AM machine, and testing results are comparable with theoretical prediction.

42 ENGINEERING↗

Optimal Number of Duralumin Samples in Determining the Surface Energy

The selection of the necessary and sufficient number of Duralumin samples in determining the surface energy of metal aviation components is considered. The surface energy is determined by measuring the contact potential difference, which depends on the electron work function for the samples. The number of samples for measuring the contact potential difference must be no less than five.

42 ENGINEERING↗

Fluorophore-based sensor for oxygen radicals in processing plasmas

A high concentration of radicals is present in many processing plasmas, which affects the processing conditions and the properties of materials exposed to the plasma. Determining the types and concentrations of free radicals present in the plasma is critical in order to determine their effects on the materials being processed. Current methods for detecting free radicals in a plasma require multiple expensive and bulky instruments, complex setups, and often, modifications to the plasma reactor. This work presents a simple technique that detects reactive-oxygen radicals incident on a surface from a plasma. The measurements are made using a fluorophore dye that is commonly used in biological and cellular systems for assay labeling in liquids. Using fluorometric analysis, it was found that the fluorophore reacts with oxygen radicals incident from the plasma, which is indicated by degradation of its fluorescence. As plasma power was increased, the quenching of the fluorescence significantly increased. Both immobilized and nonimmobilized fluorophore dyes were used and the results indicate that both states function effectively under vacuum conditions. The reaction mechanism is very similar to that of the liquid dye.

42 ENGINEERING↗

Effect of substrate composition on atomic layer deposition using self-assembled monolayers as blocking layers

The authors have examined the effect of two molecules that form self-assembled monolayers (SAMs) on the subsequent growth of TaN{sub x} by atomic layer deposition (ALD) on two substrate surfaces, SiO{sub 2} and Cu. The SAMs that the authors have investigated include two vapor phase deposited, fluorinated alkyl silanes: Cl{sub 3}Si(CH{sub 2}){sub 2}(CF{sub 2}){sub 5}CF{sub 3} (FOTS) and (C{sub 2}H{sub 5}O){sub 3}Si(CH{sub 2}){sub 2}(CF{sub 2}){sub 7}CF{sub 3} (HDFTEOS). Both the SAMs themselves and the TaN{sub x} thin films, grown using Ta[N(CH{sub 3}){sub 2}]{sub 5} and NH{sub 3}, were analyzed ex situ using contact angle, spectroscopic ellipsometry, x-ray photoelectron spectroscopy (XPS), and low energy ion-scattering spectroscopy (LEISS). First, the authors find that both SAMs on SiO{sub 2} are nominally stable at T{sub s} ∼ 300 °C, the substrate temperature used for ALD, while on Cu, the authors find that HDFTEOS thermally desorbs, while FOTS is retained on the surface. The latter result reflects the difference in the head groups of these two molecules. The authors find that both SAMs strongly attenuate the ALD growth of TaN{sub x} on SiO{sub 2}, by about a factor of 10, while on Cu, the SAMs have no effect on ALD growth. Results from LEISS and XPS are decisive in determining the nature of the mechanism of growth of TaN{sub x} on all surfaces. Growth on SiO{sub 2} is 2D and approximately layer-by-layer, while on the surfaces terminated by the SAMs, it nucleates at defect sites, is islanded, and is 3D. In the latter case, our results support growth of the TaN{sub x} thin film over the SAM, with a considerable delay in formation of a continuous thin film. Growth on Cu, with or without the SAMs, is also 3D and islanded, and there is also a delay in the formation of a continuous thin film as compared to growth on SiO{sub 2}. These results highlight the power of coupling measurements from both LEISS and XPS in examinations of ultrathin films formed by ALD.

36 MATERIALS SCIENCE↗

Surface compositions of atomic layer deposited Zn{sub 1−x}Mg{sub x}O thin films studied using Auger electron spectroscopy

In this paper, the authors present Auger electron spectroscopy (AES) studies of Zn{sub 1−x}Mg{sub x}O (ZMO) films grown via interrupted atomic-layer deposition (ALD) techniques. The ZMO films were fabricated by alternating ALD deposition of ZnO and MgO layers up to 1000 cycles. Zn{sub 1−x}Mg{sub x}O films with progressively decreasing Mg/Zn ratios (Mg/Zn = 1/1, 1/2, 1/3, 1/4, 1/5, 1/6, 1/9, and 2/8, 3/12, 4/16, and 5/20) were fabricated for this study. The AES results exhibit an abrupt drop of Mg composition on the ZMO surface when the Mg/Zn < 1/3. Additionally, the surface composition ratios of O to Mg, O to Zn, and Mg to Zn were estimated with known Auger sensitivity factors. The results indicate that Mg ions diffuse into the bulk, forming Zn{sub 1−x}Mg{sub x}O alloys.

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Stable water splitting using photoelectrodes with a cryogelated overlayer

Hydrogen production techniques based on solar-water splitting have emerged as carbon-free energy systems. Many researchers have developed highly efficient thin-film photoelectrochemical (PEC) devices made of low-cost and earth-abundant materials. However, solar water splitting systems suffer from short lifetimes due to catalyst instability that is attributed to both chemical dissolution and mechanical stress produced by hydrogen bubbles. A recent study found that the nanoporous hydrogel could prevent the structural degradation of the PEC devices. In this study, we investigate the protection mechanism of the hydrogel-based overlayer by engineering its porous structure using the cryogelation technique. Tests for cryogel overlayers with varied pore structures, such as disconnected micropores, interconnected micropores, and surface macropores, reveal that the hydrogen gas trapped in the cryogel protector reduce shear stress at the catalyst surface by providing bubble nucleation sites. The cryogelated overlayer effectively preserves the uniformly distributed platinum catalyst particles on the device surface for over 200 h. Our finding can help establish semi-permanent photoelectrochemical devices to realize a carbon-free society.

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Novel nonwetting solid-infused surfaces for superior fouling mitigation

Fouling is a ubiquitous issue in several environmental and energy applications. Here we introduce novel nonwetting solid-infused surfaces (SIS) with superior anti-fouling characteristics that are durable than conventional nonwetting surfaces in a dynamic flow environment. A systematic study is presented to elucidate the fouling mitigation performance of SIS in comparison to lubricant-infused surface (LIS) and conventional smooth surface. Copper tubes with SIS, LIS or smooth inner walls are fabricated and subjected to accelerated calcium sulfate fouling in a flow fouling experimental setup. Fouling on the various surface types is quantified in terms of asymptotic fouling resistance, and the fundamental morphological differences in the interactions of the foulant and the various surface types are analyzed. Based on a systematic sweep of the parameter combinations using design of experiments and Taguchi analysis, an analytical dependence of asymptotic fouling resistance on the governing parameters namely, Reynolds number, foulant concentration and temperature is derived. The analytical model is shown to predict the asymptotic fouling resistance to within 20% accuracy with a 95% confidence. In addition, for the first time, the effects of shear durability on the fouling mitigation performance of LIS vis-à-vis SIS are studied. It is shown that the novel nonwetting SIS offers a robust option for superior fouling mitigation over LIS in the long run.

42 ENGINEERING↗

Tactile Identification of a Surface by Fuzzy Control

A hybrid control system has been developed for an anthropomorphic gripping device capable of grasping an object whose physicomechanical and geometric characteristics are unknown. The surface is identified on the basis of a multiply connected inverse pendulum, simulating the hand of a gripping device. A fuzzy control algorithm is synthesized for a two-level hybrid automatic control system.

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Controlling the Phase Transformation of Alumina for Enhanced Stability and Catalytic Properties

Current transition alumina catalysts require the presence of significant amounts of toxic, environmentally deleterious dopants for their stabilization. Herein, we report a simple and novel strategy to engineer transition aluminas to withstand aging temperatures up to 1200 °C without inducing the transformation to low-surface-area α-Al 2 O 3 and without requiring dopants. By judiciously optimizing the abundance of dominant facets and the interparticle distance, we can control the temperature of the phase transformation from θ-Al 2 O 3 to α-Al 2 O 3 and the specific surface sites on the latter. These specific surface sites provide favorable interactions with supported metal catalysts, leading to improved metal dispersion and greatly enhanced catalytic activity for hydrocarbon oxidation. Further, the results presented herein not only provide molecular-level insights into the critical factors causing deactivation and phase transformation of aluminas but also pave the way for the development of catalysts with improved activity for catalytic hydrocarbon oxidation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Framework and algorithms for illustrative visualizations of time-varying flows on unstructured meshes

Photo- and physically realistic techniques are often insufficient for visualization of fluid flow simulations, especially for 3D and time-varying studies. Substantial research effort has been dedicated to the development of non-photorealistic and illustration-inspired visualization techniques for compact and intuitive presentation of such complex datasets. However, a great deal of work has been reproduced in this field, as many research groups have developed specialized visualization software. Additionally, interoperability between illustrative visualization software is limited due to diverse processing and rendering architectures employed in different studies. In this investigation, a framework for illustrative visualization is proposed, and implemented in MarmotViz, a ParaView plug-in, enabling its use on a variety of computing platforms with various data file formats and mesh geometries. Region-of-interest identification and feature-tracking algorithms incorporated into this tool are described. Implementations of multiple illustrative effect algorithms are also presented to demonstrate the use and flexibility of this framework. Here, by providing an integrated framework for illustrative visualization of CFD data, MarmotViz can serve as a valuable asset for the interpretation of simulations of ever-growing scale.

42 ENGINEERING↗

Pore-network model of evaporation-induced salt precipitation in porous media: The effect of correlations and heterogeneity

Salt transport and precipitation in porous media constitute a set of complex and fascinating phenomena that are of considerable interest to several important problems, ranging from storage of CO 2 in geological formations, to soil fertility, and protection of pavements and roads, as well as historical monuments. The phenomena occur at the pore scale and are greatly influenced by the heterogeneity of the pore space morphology. In this paper, we present a pore-network (PN) model to study the phenomena. Vapor diffusion, capillary effect at the brine-vapor interface, flow of brine, and transport of salt and its precipitation in the pores that plug the pores partially or completely are all accounted for. The drying process is modeled by the invasion percolation, while transport of salt in brine is accounted for by the convective-diffusion equation. We demonstrate that the drying patterns, the clustering and connectivity of the pore throats in which salt precipitation occurs, the saturation distribution, and the drying rate are all strongly dependent upon the pore-size distribution, the correlations among the pore sizes, and the anisotropy of the pore space caused by stratification that most natural porous media contain. In particular, if the strata are more or less parallel to the direction of injection of the gas that dries out the pore space (air, for example) and/or causes salt precipitation (CO 2 , for example), the drying rate increases significantly. Moreover, salt tends to precipitate in clusters of neighboring pores that are parallel to the open surface of the porous medium.

42 ENGINEERING↗

Cartesian grid simulations of bubbling fluidized beds with a horizontal tube bundle

In this paper, the flow hydrodynamics in a bubbling fluidized bed with submerged horizontal tube bundle was numerically investigated with an open-source code: Multiphase Flow with Interphase eXchange (MFIX). A newly implemented cut-cell technique was employed to deal with the curved surface of submerged tubes. A series of 2D simulations were conducted to study the effects of gas velocity and tube arrangement on the flow pattern. Hydrodynamic heterogeneities on voidage, particle velocity, bubble fraction, and frequency near the tube circumferential surface were successfully predicted by this numerical method, which agrees qualitatively with previous experimental findings and contributes to a sounder understanding of the non-uniform heat transfer and erosion around a horizontal tube. A 3D simulation was also conducted. Significant differences between 2D and 3D simulations were observed with respect to bed expansion, bubble distribution, voidage, and solids velocity profiles. Hence, the 3D simulation is needed for quantitative prediction of flow hydrodynamics. On the other hand, the flow characteristics and bubble behavior at the tube surface are similar under both 2D and 3D simulations as far as the bubble frequency and bubble phase fraction are concerned. Comparison with experimental data showed that qualitative agreement was obtained in both 2D and 3D simulations for the bubble characteristics at the tube surface.

42 ENGINEERING↗

Highly resolved Eulerian simulations of fuel spray transients in single and multi-hole injectors: Nozzle flow and near-exit dynamics

In high pressure fuel injectors, needle opening and closing transients cause complex off-design fluid dynamics behaviors that profoundly impact the spray and mixture formation processes. These dynamics are completely different from what is known to occur in steady state conditions. In this study, diesel spray transients have been investigated in single-hole and 3-hole nozzles, encompassing internal and external nozzle flow and including needle motion, performing highly resolved (2.5 μm) computational fluid dynamics (CFD) simulations. We focused on end-of-injection (EOI) and start-of-injection (SOI) processes, in order to provide insights in to the physics. The liquid fuel, vapor and gas species are modeled with a single-fluid multiphase mixture approach, with diffuse interface, and with large eddy simulations (LES) of the turbulence. Occurrence of phase change due to cavitation is accounted for, and the spray dispersion is described with a turbulent dispersion model. Detailed needle motion data and orifice internal surface are available from xray synchrotron source measurements carried out at Argonne National Laboratory, and shared through the Engine Combustion Network (ECN) community. Simulations are compared against x-ray phase contrast imaging and radiography of the internal and near-exit flow, in addition to optical microscopy data of the near-exit sprays. Simulation results are found to agree well with available experimental data, and are able to realistically capture local and global features. The simulations allow to gain insight into the physics of gas ingestion and dribbles at EOI, for different hole diameters, operating conditions and number of holes. At SOI, timing of liquid appearance out of the injector and spray tip penetration are adequately predicted, by using the EOI flow field as in-nozzle initialization, and by prescribing the measured tip needle displacement with an informed effective valve opening point inferred from the x-ray observations. Lastly, the variation of spreading angle over time is also discussed in detail for the multi-hole case, including hole-to-hole variations. Due to real geometry features and asymmetric needle motion with eccentric components, it is found that the three holes exhibit swirling flows of increasing intensity as the lift decreases, causing the near cone angle to open and spread, in a quasi-hollow cone structure. These features are not observed in axial single-hole injectors because of their relative simplicity and intrinsic symmetry.

42 ENGINEERING↗

Visualization of hydraulic fracture using physics-informed clustering to process ultrasonic shear waves

Ultrasonic transmission is sensitive to the spatial variation in mechanical properties of materials due to the presence of cracks/fractures. Wave propagation through fractured media introduces changes in the frequency content, travel time and transmission coefficient of the wave. A workflow based on physics-informed unsupervised learning is developed to process the transmitted ultrasonic-shear waveforms to non-invasively visualize the geomechanical alterations due to hydraulic fracturing. Novelty of the work involves the assignment of both statistically consistent and physically consistent clusters to the measurements of shear waveforms acquired across the one axial and two frontal planes. Physically consistent/relevant information is incorporated by considering the travel time of the peak of spectral energy and transmission coefficient of the transmitted waveform. The proposed workflow generates maps of geomechanical alterations across the frontal and axial planes of the sample. The outputs of the workflow are in good agreement with independent techniques viz. acoustic emission and X-ray computed tomography. Finally, the proposed workflow can be adapted for improved fracture characterization in the subsurface when processing sonic-logging, cross-wellbore seismic or surface seismic waveform data.

42 ENGINEERING↗

Quantitative characterization of tomotherapy MVCT dosimetry

Megavoltage computed tomography (MVCT) is used as image guidance for patient setup in almost every tomotherapy treatment. Frequent use of ionizing radiation for image guidance has raised concern of imaging dose. The purpose of this work is to quantify and characterize tomotherapy MVCT dosimetry. Our dose calculation was based on a commissioned dose engine, and the calculation result was compared with film measurement. We studied dose profiles, center dose, maximal dose, surface dose, and mean dose on homogeneous cylindrical water phantoms of various diameters for various scanning parameters, including 3 different jaw openings (of nominal value J4, J1, and J0.1) and couch speeds (fine, normal, and coarse). The comparison between calculation and film measurement showed good agreement. In particular, the thread pattern on the film of the helical delivery matched very well with calculation. For the J1 jaw and coarse imaging mode, the maximum difference between calculation and measurement was about 6% of the center dose. Calculation on various sizes of synthesized phantoms showed that the center dose decreases almost linearly as the phantom diameter increases, and that the fine mode (couch speed of 4 mm/rotation) received twice the dose of the normal mode (couch speed of 8 mm/rotation) and 3 times that of the coarse mode (couch speed of 12 mm/rotation) as expected. The maximal dose ranged from 100% to ∼200% of the center dose, with increasing ratios for larger phantoms, smaller jaws, and faster couch speed. For all jaw settings and couch speeds, the mean dose and average surface dose vary from 95% to 125% of the center dose with increasing ratios for larger phantoms. We present a quantitative dosimetric characterization of the tomotherapy MVCT in terms of scanning parameters, phantom size, center dose, maximal dose, surface dose, and mean dose. The results can provide an overall picture of dose distribution and a reference data set that enables estimation of CT dose index for the tomotherapy MVCT.

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Insights into the Morphology and Kinetics of Growth of Silver Metal–Organic Nanotubes

The kinetics of the formation of novel porous metal organic nanotubes, [Ag2(4,4 -(1,4-(xylene)diyl)bis- (1,2,4-triazole) (NO3)2] NMP, was investigated by means of ex-situ time-resolved small-angle X-ray scattering (SAXS) and scanning electron microscopy (SEM). The SAXS results were modeled using the Gualtieri model, which decouples the nucleation and growth processes giving additional insight into the crystal formation mechanism. The results show that the semirigid 4,4 -(1,4-(xylene)diyl)bis(1,2,4-triazole) ligand (L) binds with silver ions, adopting a seesaw geometry to form a polydisperse isotropic framework immediately after mixing the ligands and metal ions. In addition, the SEM imaging demonstrates that the microcrystals grow anisotropically, with nucleation along the edge of the 3D aggregate. These combined data demonstrate that the growth of this MONT occurs in two steps: a rapid formation of an isotropic porous structure immediately after mixing the reactant, which then develops anisotropically as the aggregates of nanorods grow in a preferred direction. The anisotropic growth of the crystal is autocatalytic and determined by the rate of nucleation of new growth sites on the crystals. Moreover, the results of this analysis elucidate, for the rst time, the exact order of the competing processes that occur in the synthesis of these MONTs, showing that their anisotropic growth occurs on the initial 3D aggregate and appears to be directed by the interplay between the surface energies that exist during the MONT formation process. This insight is crucial to the use of crystal engineering to guide the crystal formation processes in MONTs to targeted structures, properties, and applications.

36 MATERIALS SCIENCE↗