The electric discharge across a varistor granule filled air gap under a fast-rising voltage pulse was investigated for surge protection applications. The effects of temperature and pressure on the arc and the electrical conduction were analyzed by the characteristic changes in voltage waveforms triggered by a fast-rising high voltage pulse. In addition to the gap size, experimental results show that competing mechanisms among arc conduction, conduction through the varistor granule network, thermionic emission from Joule heating at granule-to-granule contact points, and the magnitude of the switching voltage dictate the maximum surge protection voltage for the filled air gap. Experimental evidence indicated that accumulated degradation was created at small contact points between varistor granules by repetitive assaults from longer duration, high voltage pulses. The uniqueness of using varistor over other dielectric granules in an air gap for surge protection is identified and discussed.
In the present work, a three-dimension (3-D) model of polymer electrolyte fuel cells (PEFCs) is employed to investigate the complex, non-isothermal, two-phase flow in the gas diffusion layer (GDL). Phase change in gas flow channels is explained, and a simplified approach accounting for phase change is incorporated into the fuel cell model. It is found that the liquid water contours in the GDL are similar along flow channels when the channels are subject to two-phase flow. Analysis is performed on a dimensionless parameter Da0 introduced in our previous paper [Y. Wang and K. S. Chen, Chemical Engineering Science 66 (2011) 3557–3567] and the parameter is further evaluated in a realistic fuel cell. We found that the GDL's liquid water (or liquid-free) region is determined by the Da0 number which lumps several parameters, including the thermal conductivity and operating temperature. By adjusting these factors, a liquid-free GDL zone can be created even though the channel stream is two-phase flow. Such a liquid-free zone is adjacent to the two-phase region, benefiting local water management, namely avoiding both severe flooding and dryness.
Goma 6.0 is a finite element program which excels in analyses of multiphysical processes, particularly those involving the major branches of mechanics (viz. fluid/solid mechanics, energy transport and chemical species transport). Goma is based on a full-Newton-coupled algorithm which allows for simultaneous solution of the governing principles, making the code ideally suited for problems involving closely coupled bulk mechanics and interfacial phenomena. Example applications include, but are not limited to, coating and polymer processing flows, super-alloy processing, welding/soldering, electrochemical processes, and solid-network or solution film drying. This document serves as a user's guide and reference.
ASME 2012 6th International Conference on Energy Sustainability, ES 2012, Collocated with the ASME 2012 10th International Conference on Fuel Cell Science, Engineering and Technology
Two of the most daunting problems facing humankind in the twenty-first century are energy security and climate change. This report summarizes work accomplished towards addressing these problems through the execution of a Grand Challenge LDRD project (FY09-11). The vision of Sunshine to Petrol is captured in one deceptively simple chemical equation: Solar Energy + xCO2 + (x+1)H2O → CxH2x+2(liquid fuel) + (1.5x+.5)O2 Practical implementation of this equation may seem far-fetched, since it effectively describes the use of solar energy to reverse combustion. However, it is also representative of the photosynthetic processes responsible for much of life on earth and, as such, summarizes the biomass approach to fuels production. It is our contention that an alternative approach, one that is not limited by efficiency of photosynthesis and more directly leads to a liquid fuel, is desirable. The development of a process that efficiently, cost effectively, and sustainably reenergizes thermodynamically spent feedstocks to create reactive fuel intermediates would be an unparalleled achievement and is the key challenge that must be surmounted to solve the intertwined problems of accelerating energy demand and climate change. We proposed that the direct thermochemical conversion of CO2 and H2O to CO and H2, which are the universal building blocks for synthetic fuels, serve as the basis for this revolutionary process. To realize this concept, we addressed complex chemical, materials science, and engineering problems associated with thermochemical heat engines and the crucial metal-oxide working-materials deployed therein. By project's end, we had demonstrated solar-driven conversion of CO2 to CO, a key energetic synthetic fuel intermediate, at 1.7% efficiency.
In this paper, we report the progress made in our project recently funded by the US Department of Energy (DOE) toward developing a computational capability, which includes a two-phase, three-dimensional PEM (polymer electrolyte membrane) fuel cell model and its coupling with DAKOTA (a design and optimization toolkit developed and being enhanced by Sandia National Laboratories). We first present a brief literature survey in which the prominent/notable PEM fuel cell models developed by various researchers or groups are reviewed. Next, we describe the two-phase, three-dimensional PEM fuel cell model being developed, tested, and later validated by experimental data. Results from case studies are presented to illustrate the utility of our comprehensive, integrated cell model. The coupling between the PEM fuel cell model and DAKOTA is briefly discussed. Our efforts in this DOE-funded project are focused on developing a validated computational capability that can be employed for PEM fuel cell design and optimization.
Current computational models for proton exchange membrane fuel cells (PEMFCs) include a large number of parameters such as boundary conditions, material properties, and numerous parameters used in sub-models for membrane transport, two-phase flow and electrochemistry. In order to successfully use a computational PEMFC model in design and optimization, it is important to identify critical parameters under a wide variety of operating conditions, such as relative humidity, current load, temperature, etc. Moreover, when experimental data is available in the form of polarization curves or local distribution of current and reactant/product species (e.g., O2, H2O concentrations), critical parameters can be estimated in order to enable the model to better fit the data. Sensitivity analysis and parameter estimation are typically performed using manual adjustment of parameters, which is also common in parameter studies. We present work to demonstrate a systematic approach based on using a widely available toolkit developed at Sandia called DAKOTA that supports many kinds of design studies, such as sensitivity analysis as well as optimization and uncertainty quantification. In the present work, we couple a multidimensional PEMFC model (which is being developed, tested and later validated in a joint effort by a team from Penn State Univ. and Sandia National Laboratories) with DAKOTA through the mapping of model parameters to system responses. Using this interface, we demonstrate the efficiency of performing simple parameter studies as well as identifying critical parameters using sensitivity analysis. Finally, we show examples of optimization and parameter estimation using the automated capability in DAKOTA.
A two-dimensional, multi-physics computational model based on the finite-element method is developed for simulating the process of solar thermochemical splitting of carbon dioxide (CO{sub 2}) using ferrites (Fe{sub 3}O{sub 4}/FeO) and a counter-rotating-ring receiver/recuperator or CR5, in which carbon monoxide (CO) is produced from gaseous CO{sub 2}. The model takes into account heat transfer, gas-phase flow and multiple-species diffusion in open channels and through pores of the porous reactant layer, and redox chemical reactions at the gas/solid interfaces. Results (temperature distribution, velocity field, and species concentration contours) computed using the model in a case study are presented to illustrate model utility. The model is then employed to examine the effects of injection rates of CO{sub 2} and argon neutral gas, respectively, on CO production rate and the extent of the product-species crossover.
The objectives of this presentation are: (1) To develop and validate a two-phase, three-dimensional transport modelfor simulating PEM fuel cell performance under a wide range of operating conditions; (2) To apply the validated PEM fuel cell model to improve fundamental understanding of key phenomena involved and to identify rate-limiting steps and develop recommendations for improvements so as to accelerate the commercialization of fuel cell technology; (3) The validated PEMFC model can be employed to improve and optimize PEM fuel cell operation. Consequently, the project helps: (i) address the technical barriers on performance, cost, and durability; and (ii) achieve DOE's near-term technical targets on performance, cost, and durability in automotive and stationary applications.
A simplified model was developed and is presented in this report for simulating thermal transport coupled with chemical reactions that lead to the pyrotechnic ignition of TiH1.65/KClO4 powder. The model takes into account Joule heating via a bridgewire, thermal contact resistance at the wire/powder interface, convective heat loss to the surroundings, and heat released from the TiH1.65- and KClO4-decomposition and TiO2-oxidation reactions. Chemical kinetic sub-models were put forth to describe the chemical reaction rate(s) and quantify the resultant heat release. The simplified model predicts pyrotechnic ignition when heat from the pyrotechnic reactions is accounted for. Effects of six key parameters on ignition were examined. It was found that the two reaction-rate parameters and the thermal contact resistance significantly affect the dynamic ignition process whereas the convective heat transfer coefficient essentially has no effect on the ignition time. Effects of the initial/ambient temperature and electrical current load through the wire are as expected. Ignition time increases as the initial/ambient temperature is lowered or the wire current load is reduced. Lastly, critical needs such as experiments to determine reaction-rate and other model-input parameters and to measure temperature profiles, time to ignition and burn-rate data for model validation as well as efforts in incorporating reaction-rate dependency on pressure are pointed out.
This document contains a summary of the work performed under the LDRD project entitled 'Interface Physics in Microporous Media'. The presence of fluid-fluid interfaces, which can carry non-zero stresses, distinguishes multiphase flows from more readily understood single-phase flows. In this work the physics active at these interfaces has been examined via a combined experimental and computational approach. One of the major difficulties of examining true microporous systems of the type found in filters, membranes, geologic media, etc. is the geometric uncertainty. To help facilitate the examination of transport at the pore-scale without this complication, a significant effort has been made in the area of fabrication of both two-dimensional and three-dimensional micromodels. Using these micromodels, multiphase flow experiments have been performed for liquid-liquid and liquid-gas systems. Laser scanning confocal microscopy has been utilized to provide high resolution, three-dimensional reconstructions as well as time resolved, two-dimensional reconstructions. Computational work has focused on extending lattice Boltzmann (LB) and finite element methods for probing the interface physics at the pore scale. A new LB technique has been developed that provides over 100x speed up for steady flows in complex geometries. A new LB model has been developed that allows for arbitrary density ratios, which has been a significant obstacle in applying LB to air-water flows. A new reduced order model has been developed and implemented in finite element code for examining non-equilibrium wetting in microchannel systems. These advances will enhance Sandia's ability to quantitatively probe the rich interfacial physics present in microporous systems.
This report documents work done for a late-start LDRD project, which was carried out during the last quarter of FY07. The objective of this project was to experimentally explore the feasibility of converting vegetable (e.g., soybean) oils to biodiesel by employing slit-channel reactors and solid catalysts. We first designed and fabricated several slit-channel reactors with varying channel depths, and employed them to investigate the improved performance of slit-channel reactors over traditional batch reactors using a NaOH liquid catalyst. We then evaluated the effectiveness of several solid catalysts, including CaO, ZnO, MgO, ZrO{sub 2}, calcium gluconate, and heteropolyacid or HPA (Cs{sub 2.5}H{sub 0.5}PW{sub 12}O{sub 40}), for catalyzing the soybean oil-to-biodiesel transesterification reaction. We found that the slit-channel reactor performance improves as channel depth decreases, as expected; and the conversion efficiency of a slit-channel reactor is significantly higher when its channel is very shallow. We further confirmed CaO as having the highest catalytic activity among the solid catalysts tested, and we demonstrated for the first time calcium gluconate as a promising solid catalyst for converting soybean oil to biodiesel, based on our preliminary batch-mode conversion experiments.
In this report, we document the accomplishments in our Laboratory Directed Research and Development project in which we employed a technical approach of combining experiments with computational modeling and analyses to elucidate the performance of hydrogen-fed proton exchange membrane fuel cells (PEMFCs). In the first part of this report, we document our focused efforts on understanding water transport in and removal from a hydrogen-fed PEMFC. Using a transparent cell, we directly visualized the evolution and growth of liquid-water droplets at the gas diffusion layer (GDL)/gas flow channel (GFC) interface. We further carried out a detailed experimental study to observe, via direct visualization, the formation, growth, and instability of water droplets at the GDL/GFC interface using a specially-designed apparatus, which simulates the cathode operation of a PEMFC. We developed a simplified model, based on our experimental observation and data, for predicting the onset of water-droplet instability at the GDL/GFC interface. Using a state-of-the-art neutron imaging instrument available at NIST (National Institute of Standard and Technology), we probed liquid-water distribution inside an operating PEMFC under a variety of operating conditions and investigated effects of evaporation due to local heating by waste heat on water removal. Moreover, we developed computational models for analyzing the effects of micro-porous layer on net water transport across the membrane and GDL anisotropy on the temperature and water distributions in the cathode of a PEMFC. We further developed a two-phase model based on the multiphase mixture formulation for predicting the liquid saturation, pressure drop, and flow maldistribution across the PEMFC cathode channels. In the second part of this report, we document our efforts on modeling the electrochemical performance of PEMFCs. We developed a constitutive model for predicting proton conductivity in polymer electrolyte membranes and compared model prediction with experimental data obtained in our laboratory and from literature. Moreover, we developed a one-dimensional analytical model for predicting electrochemical performance of an idealized PEMFC with small surface over-potentials. Furthermore, we developed a multi-dimensional computer model, which is based on the finite-element method and a fully-coupled implicit solution scheme via Newton's technique, for simulating the performance of PEMFCs. We demonstrated utility of our finite-element model by comparing the computed current density distribution and overall polarization with those measured using a segmented cell. In the last part of this report, we document an exploratory experimental study on MEA (membrane electrode assembly) degradation.
Simplified models that are based on macroscopic force balances and droplet-geometry approximations are presented for predicting the onset of instability leading to removal of water droplets at the gas diffusion layer (GDL)/gas flow channel (GFC) interface. Visualization experiments are carried out to observe the formation, growth, and removal or instability of the water droplets at the GDL/GFC interface of a simulated polymer electrolyte fuel cell cathode. Droplet-instability diagrams or windows computed by the simplified models are compared with those measured experimentally, and good agreement is obtained. Two-dimensional flow simulations employing the finite element method coupled with an arbitrary Lagrangian-Eulerian formulation for determining the liquid/gas interface position are also performed to assess the simplified cylindrical-droplet model. Necessary conditions for preventing fully grown droplets from lodging in the flow channel are derived using the simplified models. It is found that droplet removal can be enhanced by increasing flow channel length or mean gas flow velocity, decreasing channel height or contact angle hysteresis, or making the GDL/GFC interface more hydrophobic.
This report documents the author's efforts in the deterministic modeling of copper-sulfidation corrosion on non-planar substrates such as diodes and electrical connectors. A new framework based on Goma was developed for multi-dimensional modeling of atmospheric copper-sulfidation corrosion on non-planar substrates. In this framework, the moving sulfidation front is explicitly tracked by treating the finite-element mesh as a pseudo solid with an arbitrary Lagrangian-Eulerian formulation and repeatedly performing re-meshing using CUBIT and re-mapping using MAPVAR. Three one-dimensional studies were performed for verifying the framework in asymptotic regimes. Limited model validation was also carried out by comparing computed copper-sulfide thickness with experimental data. The framework was first demonstrated in modeling one-dimensional copper sulfidation with charge separation. It was found that both the thickness of the space-charge layers and the electrical potential at the sulfidation surface decrease rapidly as the Cu{sub 2}S layer thickens initially but eventually reach equilibrium values as Cu{sub 2}S layer becomes sufficiently thick; it was also found that electroneutrality is a reasonable approximation and that the electro-migration flux may be estimated by using the equilibrium potential difference between the sulfidation and annihilation surfaces when the Cu{sub 2}S layer is sufficiently thick. The framework was then employed to model copper sulfidation in the solid-state-diffusion controlled regime (i.e. stage II sulfidation) on a prototypical diode until a continuous Cu{sub 2}S film was formed on the diode surface. The framework was also applied to model copper sulfidation on an intermittent electrical contact between a gold-plated copper pin and gold-plated copper pad; the presence of Cu{sub 2}S was found to raise the effective electrical resistance drastically. Lastly, future research needs in modeling atmospheric copper sulfidation are discussed.
This report documents the efforts and accomplishments of the LIGA electrodeposition modeling project which was headed by the ASCI Materials and Physics Modeling Program. A multi-dimensional framework based on GOMA was developed for modeling time-dependent diffusion and migration of multiple charged species in a dilute electrolyte solution with reduction electro-chemical reactions on moving deposition surfaces. By combining the species mass conservation equations with the electroneutrality constraint, a Poisson equation that explicitly describes the electrolyte potential was derived. The set of coupled, nonlinear equations governing species transport, electric potential, velocity, hydrodynamic pressure, and mesh motion were solved in GOMA, using the finite-element method and a fully-coupled implicit solution scheme via Newton's method. By treating the finite-element mesh as a pseudo solid with an arbitrary Lagrangian-Eulerian formulation and by repeatedly performing re-meshing with CUBIT and re-mapping with MAPVAR, the moving deposition surfaces were tracked explicitly from start of deposition until the trenches were filled with metal, thus enabling the computation of local current densities that potentially influence the microstructure and frictional/mechanical properties of the deposit. The multi-dimensional, multi-species, transient computational framework was demonstrated in case studies of two-dimensional nickel electrodeposition in single and multiple trenches, without and with bath stirring or forced flow. Effects of buoyancy-induced convection on deposition were also investigated. To further illustrate its utility, the framework was employed to simulate deposition in microscreen-based LIGA molds. Lastly, future needs for modeling LIGA electrodeposition are discussed.
Two-dimensional processes of nickel electrodeposition in LIGA microfabrication were modeled using the finite-element method and a fully coupled implicit solution scheme via Newtons technique. Species concentrations, electrolyte potential, flow field, and positions of the moving deposition surfaces were computed by solving the species-mass, charge, and momentum conservation equations as well as pseudo-solid mesh-motion equations that employ an arbitrary Lagrangian-Eulerian (ALE) formulation. Coupling this ALE approach with repeated re-meshing and re-mapping makes it possible to track the entire transient deposition processes from start of deposition until the trenches are filled, thus enabling the computation of local current densities that influence the microstructure and functional/mechanical properties of the deposit.
Electrodeposition is a key process in LIGA (Lithographie, Galvanoformung, Abformung - German words for lithography, electroplating and molding) - microfabrication, which is increasingly demonstrated to be a viable technology for fabricating micro-devices or parts. LIGA Electrodeposition involves complex multi-physics phenomena: (1) diffusion, migration, and convection of charged species in a centimeter-scale electrolyte-bath region and in micron-scale featurecavity or trench regions; (2) homogeneous and heterogeneous electrochemical reactions; and (3) moving deposition surface or surfaces on which metal ions (e.g., {approx} i) are electrochemically reduced to form a pure metal or an alloy.
An analytical capability is being developed that can be used to predict the effect of corrosion on the performance of electrical circuits and systems. The availability of this ''toolset'' will dramatically improve our ability to influence device and circuit design, address and remediate field occurrences, and determine real limits for circuit service life. In pursuit of this objective, we have defined and adopted an iterative, statistical-based, top-down approach that will permit very formidable and real obstacles related to both the development and use of the toolset to be resolved as effectively as possible. An important component of this approach is the direct incorporation of expert opinion. Some of the complicating factors to be addressed involve the code/model complexity, the existence of large number of possible degradation processes, and an incompatibility between the length scales associated with device dimensions and the corrosion processes. Two of the key aspects of the desired predictive toolset are (1) a direct linkage of an electrical-system performance model with mechanistic-based, deterministic corrosion models, and (2) the explicit incorporation of a computational framework to quantify the effects of non-deterministic parameters (uncertainty). The selected approach and key elements of the toolset are first described in this paper. These descriptions are followed by some examples of how this toolset development process is being implemented.
Two-phase flow and transport of reactants and products in the air cathode of proton exchange membrane (PEM) fuel cells is studied analytically and numerically. Single- and two-phase regimes of water distribution and transport are classified by a threshold current density corresponding to first appearance of liquid water at the membrane/cathode interface. When the cell operates above the threshold current density, liquid water appears and a two-phase zone forms within the porous cathode. A two-phase, multicomponent mixture model in conjunction with a finite-volume-based computational fluid dynamics (CFD) technique is applied to simulate the cathode operation in this regime. The model is able to handle the situation where a single-phase region co-exists with a two-phase zone in the air cathode. For the first time, the polarization curve as well as water and oxygen concentration distributions encompassing both single- and two-phase regimes of the air cathode are presented. Capillary action is found to be the dominant mechanism for water transport inside the two-phase zone of the hydrophilic structure. The liquid water saturation within the cathode is predicted to reach 6.3% at 1.4 A cm-2 for dry inlet air.
A transient, multidimensional model has been developed to simulate proton exchange membrane fuel cells. The model accounts simultaneously for electrochemical kinetics, current distribution, hydrodynamics, and multicomponent transport. A single set of conservation equations valid for flow channels, gas-diffusion electrodes, catalyst layers, and the membrane region are developed and numerically solved using a finite-volume-based computational fluid dynamics technique. The numerical model is validated against published experimental data with good agreement. Subsequently, the model is applied to explore hydrogen dilution effects in the anode feed. The predicted polarization curves under hydrogen dilution conditions are in qualitative agreement with recent experiments reported in the literature. The detailed two-dimensional electrochemical and flow/transport simulations further reveal that in the presence of hydrogen dilution in the fuel stream, hydrogen is depleted at the reaction surface, resulting in substantial anode mass transport polarization and hence a lower current density that is limited by hydrogen transport from the fuel stream to the reaction site. Finally, a transient simulation of the cell current density response to a step change in cell voltage is reported.
A phenomenological model was developed for multicomponent transport of charged species with simultaneous electrochemical reactions in concentrated solutions, and was applied to model processes in a thermal battery cell. A new general framework was formulated and implemented in GOMA (a multidimensional, multiphysics, finite-element computer code developed and being enhanced at Sandia) for modeling multidimensional, multicomponent transport of neutral and charged species in concentrated solutions. The new framework utilizes the Stefan-Maxwell equations that describe multicomponent diffusion of interacting species using composition-insensitive binary diffusion coefficients. The new GOMA capability for modeling multicomponent transport of neutral species was verified and validated using the model problem of ternary gaseous diffusion in a Stefan tube. The new GOMA-based thermal battery computer model was verified using an idealized battery cell in which concentration gradients are absent; the full model was verified by comparing with that of Bernardi and Newman (1987) and validated using limited thermal battery discharge-performance data from the open literature (Dunning 1981) and from Sandia (Guidotti 1996). Moreover, a new Liquid Chemkin Software Package was developed, which allows the user to handle manly aspects of liquid-phase kinetics, thermodynamics, and transport (particularly in terms of computing properties). Lastly, a Lattice-Boltzmann-based capability was developed for modeling pore- or micro-scale phenomena involving convection, diffusion, and simplified chemistry; this capability was demonstrated by modeling phenomena in the cathode region of a thermal battery cell.
A low-cost, thermally-activated, palladium-catalyzed metallization process was developed for rapid prototyping of polymeric electronic substrates and devices. The process was successfully applied in producing adhesiveless copper/polyimide laminates with high peel strengths and thick copper coating; copper/polyimide laminates are widely used in fabricating interconnects such as printed wiring boards (PWBs) and flexible circuits. Also successfully metallized using this low-cost metallization process were: (1) scaled-down models of radar-and-communication antenna and waveguide; (2) scaled-down model of pulsed-power-accelerator electrode; (3) three-dimensional micro-porous, open-cell vitreous carbon foams. Moreover, additive patterned metallization was successfully achieved by selectively printing or plotting the catalyst ink only on areas where metallization is desired, and by uniform thermal activation. Additive patterned metallization eliminates the time-consuming, costly and environmentally-unfriendly etching process that is routinely carried out in conventional subtractive patterned metallization. A metallization process via ultraviolet (UV) irradiation activation was also demonstrated. In this process palladium-catalyst solution is first uniformly coated onto the substrate. A masking pattern is used to cover the areas where metallization is not wanted. UV irradiation is applied uniformly to activate the palladium catalyst and to cure the polymer carrier in areas that are not covered by the mask. Metal is then deposited by electroless plating only or by a combination of electroless and electrolytic plating. This UV-activation technique is particularly useful in additive fine-line patterned metallization. Lastly, computer models for electrolytic and electroless plating processes were developed to provide guidance in plating-process design.
Highly porous sol-gel films have potential applications as electrical and thermal insulators, catalyst supports, sensors, and membranes for gas separations. Pore dimensions in these sol-gel films are usually small e.g., on the order of tens of nanometers or less. Their successful fabrications, however, greatly depend on the fundamental understanding of mechanisms that underlie the phenomena of pore evolution, network shrinkage, and stress development since the final microstructure of a solid gel film is strongly affected by composition of its starting sol and its processing conditions. This report documents a simplified one-dimensional analysis of drying a solidifying sol-gel thin film coating supported by an impermeable solid substrate. Portions of this work were presented at the 1994 Annual Joint Meeting of the New Mexico Section of the American Ceramic Society and Materials Research Society in Albuquerque. The authors considered the solid/liquid two phase coexistent regime during the drying solidifying process in which solvent is removed continuously via evaporation, the solid phase grows significantly in mechanical strength, and pore space shrinks appreciably. From overall and differential mass balances and a force balance at equilibrium, coupled with empirical correlations of solid phase modulus and permeability to strain or deformation, the authors followed the evolution of pore space, solid phase elastic stress, and liquid phase hydrodynamic pressure; they also determined their respective values at equilibrium. By assuming microscopic pore shape models, they estimated and compared the predicted mean pore radii. Their simplified one-dimensional analysis shows that the final mean pore radius is controlled by four parameters: pore-liquid surface tension, solid phase modulus, mean pore radius, and porosity at the initial stress-free state. The one-dimensional model can be employed to guide process design and optimization in sol-gel film fabrications.
Electroless deposition of copper is being used for a variety of applications, one of them being the development of seed metallic layers on non-metals, which are widely used in electronic circuitry. Solution equilibrium characteristics of two electroless copper baths containing EDTA and tartrate as the complexing agents were studied as functions of pH, chelating agent and metal ion concentrations. Equilibrium diagrams were constructed for both cu-tartrate and Cu-EDTA systems. It was determined that copper is chiefly complexed as Cu(OH){sub 2}L{sub 2}{sup {minus}4} in the tartrate bath, and as CuA{sup {minus}2} in the EDTA bath, where L and A are the complexing tartrate and EDTA ligands, respectively. The operating ranges for electroless copper deposition were identified for both baths. Dependence of Cu(OH){sub 2} precipitation on the pH and species concentrations was also studied for these systems.
In this study the authors employed the Monte Carlo/Latin Hypercube sampling technique to generate input parameters for a liquid polymeric-film drying model with prescribed uncertainty distributions. The one-dimensional drying model employed in this study was that developed by Cairncross et al. They found that the non-deterministic analysis with Monte Carlo/Latin Hypercube sampling provides a useful tool for characterizing the two responses (residual solvent volume and the maximum solvent partial vapor pressure) of a liquid polymeric-film drying process. More precisely, they found that the non-deterministic analysis via Monte Carlo/Latin Hypercube sampling not only provides estimates of statistical variations of the response variables but also yields more realistic estimates of mean values, which can differ significantly from those calculated using deterministic simulation. For input-parameter uncertainties in the range from 2 to 10% of their respective means, variations of response variables were found to be comparable to the mean values.
In the present study of design optimization of a liquid-distribution chamber-slot die, the DAKOTA (Design Analysis Kit for OpTimizAtion) toolkit, which is being developed by Sandia National Laboratories, was employed to navigate the search for the optimal die shape. This shape minimizes non-uniformity of flow at the slot exit for a given set of liquid properties and operating conditions. Three-dimensional, steady newtonian-liquid flow fields inside the chamber-slot die were computed using FIDAP, a commercial computer code based on the finite element method. The objective function of flow nonuniformity at the slot exit is formulated as the percentage of coating material across the slot width having local-flowrate deviation greater than 1% from the mean. Computation of the objective function requires the integration of the velocity profile over the outflow plane. Two constraints, namely maximum hydrodynamic pressure and average residence time, were imposed in the optimization problem. The modified method of feasible directions algorithm was used to optimize the die geometry and to reduce the flow nonuniformity at the slot exit from 16.5% (initial design) to 3.2% (final design) for the chosen liquid properties and process conditions. The case study demonstrates that liquid-distribution chamber-slot dies can be systematically optimized using DAKOTA.
Slide coating flow is a workhorse process for manufacturing precision film-coating products. Properly starting up a slide coating process is very important in reducing wastage during startup and ensuring that the process operates within the desired `coating window.` A two-phase flow analysis of slide-coating startup was performed by Palmquist and Scriven (1994) using Galerkin`s method with finite-element basis functions and an elliptic mesh generation scheme. As reported by Chen (1992) from flow visualization experiments, a continuously coated liquid film breaks up into rivulets, which are coating stripes with dry lanes in between, when the coated film becomes thinner and thinner due to either the increase in substrate speed or the reduction in pre-metered feed-liquid pump speed. It was observed that the coated-film breakup process originated from the coating bead, thus the name of bead breakup. Understanding the bead-breakup phenomena and elucidating mechanisms involved will provide guidance for manufacturing thinner coating, an industrial trend for better product performance. In this paper we present simulation results of slide-coating flows obtained from a computational method capable of describing arbitrary, three-dimensional and time-dependent deformations. The method, which is available in a commercial code, uses a fixed grid through which fluid interfaces are tracked by a Volume-of-Fluid technique (Hirt and Nichols, 1981). Surface tension, wall adhesion, and viscous stresses are fully accounted for in our analysis. We illustrate our computational approach by application to startup and the bead-breakup problems. As will be shown, for rapid processes our approach offers the computational efficiency and robustness that are difficult o achieve in conventional finite-element-based methods.
In coating processes (e.g. in blade coating) the flow domain inherently contains free surfaces and three-phase contact lines, and characteristic length scales of flow features in the dimension transverse to the web-movement vary by an order of magnitude or more from a fraction of a millimeter or more to tens of microns or less). The presence of free surfaces and three-phase contact lines, and the sudden changes of flow geometry and directions create difficulties in theoretical analyses of such flows. Though simulations of coating flows via finite-element methods using structured grids have been reportedly demonstrated in the literature, achieving high efficiency of such numerical experiments remains a grand challenge -- mainly due to difficulties in local mesh-refinement and in avoiding unacceptably distorted grids. High efficiency of computing steady flow fields under various process conditions is crucial in shortening turn-around time in design and optimization of coating-flow processes. In this paper we employ a fully-implicit, pseudo-solid, domain mapping technique coupled with unstructured meshes to analyze blade and slot coating flows using Galerkin`s method with finite element basis functions. We demonstrate the robustness and efficiency of our unique technique in circumventing shortcomings of mesh-motion schemes currently being used in the coating-flow research community. Our goal is to develop an efficient numerical tool, together with a suitable optimization toolkit, that can be used routinely in design and optimization of coating-flow processes.
A brief history of lightning protection at Pantex nuclear explosive areas (NEAs) is given. An assessment of current Pantex lightning protection at NEAs is summarized. Recommendations for further improvements in lightning protection are described.
Translations of two pioneering Russian papers on antenna theory are presented. The first paper provides a treatise on finite-length dipole antennas; the second paper addresses infinite-length, impedance-loaded transmitting antennas.
