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By Manabu lshimaru

Solid-liquid interfaces as well as defect formation processes during crystallization of melted silicon (Si) have been examined by using molecular-dynamics (MD) simulations. The ordinary Langevin equation employing the Tersoff interatomic potential was used for the calculation of the atomic trajectories. A solid-melt interface has a tendency to form {]] I} microfacets during the crystal growth in the [001] direction, while it is essentially flat during the (Ill) crystallization. Because of the difference of the interfacial structures, the structures of grown-in defects and defect evolution depend strongly on the growth direction. We discuss defect structures and their formation processes within the context of our results as well as previous experimental observations.

Jan 1, 2001

By S. P. Jupp

A 2-D coupled thermo-mechanical model was developed to simulate hot tandem rolling of AA5056 aluminum alloy using the commercial finite element software package, ABAQUS The model was used to predict the temperature, strain rate and strain distribution in the strip at any position in the roll bite and was verified through comparisons with literature results in terms of both temperature and strain predictions at the roll bite exit. A sensitivity analysis indicated that model predictions of temperature and strain at the roll bite exit were sensitive to the friction coefficient and moderately sensitive to the heat transfer coefficient for the conditions studied. Microstructure equations taken from the literature were used to make predictions at various positions in the strip. The temperature, strain rate and strain vary dramatically through the thickness of the strip in the roll bite. The sensitivity of the microstructure predictions to these parameters was assessed and it was found that using average values of temperature and strain rate in the roll bite versus exit values significantly influenced the resulting microstructure predictions.

Jan 1, 2001

Reduction of titania and ilmenite ores by Cf4-H2-Ar gas mixture was investigated in a laboratory fixed bed reactor. Titania was reduced to titanium oxycarbide in the temperature range of 12OO-1500°C. At 1400-15000C, the extent of reduction of titania to titanium oxycarbide achieved more than 85% in 90 min. Optimum conditions for titanium oxycarbide synthesis by reduction of titania include temperature in the range of 1300-1450°C, methane content 8 vol% and hydrogen content above 35 vol%. Ilmenite ore was reduced by Cf4-HrAr gas mixture to metallic iron and titanium oxycarbide. Metallic iron catalyzed methane cracking and solid carbon deposition. Titanium oxycarbide formed at temperatures as low as 950°C. The optimum temperature for reduction of ilmenite is 1200°C and the optimum methane content is 8 vol%. Increase in hydrogen content increased both rate and extent of reduction. With 5 vol% CH4-75 vol% Hr20 vol% Ar gas mixture, the reduction of ilmenite completed in 60 min. Reduction of titanium oxides to oxycarbide with following chlorination may be an efficient alternative technology for processing of titanium minerals.

Jan 1, 2001

By M. C. Ruiz

In the present study, the size distribution, Fo(v), of organic drops produced in a continuous-mixing vessel has been determined experimentally for various conditions. The organic phase used was a 1: 1 mixture of a salicylaldoxime (LIX 860N-IC) and a ketoxime (LIX 64-IC) in an aliphatic diluent (Escaid 103). The aqueous phase was a copper sulfate solution. The results indicated that an increase in stirring speed, extractant concentration, and pH produced smaller drops. The effect of the stirring speed was the most significant, decreasing the average volume of drops by 57 % for a change from 300 to 400 rpm. On the contrary, an increase in the dispersed phase fraction, copper sulfate concentration, and retention time produced larger drops. Changes in temperature from 23 to 30°C did not affect significantly the drop sizes. In all cases, the experimental drop size distributions could be accurately represented by a lognormal distribution.

Jan 1, 2001

By Mark Samonds

"Manufacturing processes which involve liquid to solid and solid state transformations in metals encompass a wide variety of physical phenomena. The past twenty years have seen a steady evolution in the complexity and scope of numerical models of these processes, beginning with thermal analyses without phase change. Recently, a few software packages have become available which have true multi-physics capabilities. This permits the treatment of thermal, fluids, stress, electromagnetic, chemical reaction and microstructure development aspects altogether in a fully coupled simulation. This paper will consider various aspects of these types of models.Coupled thermal and fluid flow analyses of continuous castings have been around for fifteen years. Coupled thermal and free surface fluid flow simulations of shape castings have been available for ten years, including view factor radiation models for investment castings. Only recently, however, have fully coupled thermal, fluid, and stress analyses become practical. This implies the reverse coupling of the mechanical deformations to the solution of the energy and momentum equations through modification to the interface heat transfer coefficients and the fluid domain geometry. This has been implemented with a combined eulerian-lagrangian finite element method. Appropriate mechanical constitutive models will also be discussed.Many types of defects need to be predicted in casting processes. Those related to stress include hot tearing, hot cracking, part distortion, and thermal fatigue in dies. Macroporosity, microporosity, and microsegregation are determined by the solidification behavior and microstructure development in a casting. In particular, microporosity is influenced by dissolved gases, the morphology of the mushy zone, the liquid to solid density change, and the local pressure conditions. Macrosegregation is caused by the partitioning of solutes during. solidification and subsequent thermo-solutal convection. An additional transport equation is required for each solute that is being tracked. Computational thermodynamics is being incorporated into these types of analyses to determine transformation temperatures, partition coefficients, densities, and enthalpies. In combination, the microstructure and microporosity models can frequently predict a variety of mechanical models, such as yield strength, tensile strength, and elongation."

Jan 1, 2001

By Young-Sool Jin, Heung Nam Han, Hong Joon Kim, Jae Kon Lee

A mathematical model was developed considering non-symmetric cooling' and stress distribution in both thickness and width direction of strip on a run-out table of hot strip mill. In order to solve a transient heat transfer equation including the heat evolved from phase transformation, a finite element method coupled with thermodynamic and kinetic analyses was applied. The heat capacity of each phase and heat evolution due to phase transformation were obtained from the thermodynamic analysis of the Fe-C-Mn-Si system based on a sub lattice model. The phase transformation kinetics of the steels was derived by using an inverse additivity technique with continuous cooling experiments. Heat transfer coefficients of strips on the run-out table were, by applying an inverse method, determined from the actual mill data under various cooling conditions. As for the stress analysis, the density change of strip due to cooling and phase transformation, and the transformation superplasticity were considered. A 90nstitutive equation for the transformation superplasticity, which is related to the phase transformation kinetics and the internal stress due to the density change of strip, was applied. A finite element method was adopted to calculate the deformation behaviour of strip on a run-out table of hot strip mill. Using the models, the temperature-phase-deformation history and distribution of a strip on the run-outtable was calculated.

Jan 1, 2001

By Denise C. R. Espinosa

Rechargeable lithium batteries are one of the most promISIng technology in battery development. Although Li ion batteries have been used as an alternative to the more polluting and less performing Ni-Cd batteries, Li ion batteries have limited life and their disposal is uncertain. It is imperative that valuables from wastes, such as lithium, should be recovered. The main objective of the present work was to characterize secondary lithium batteries for cellular phones. This was done using unit operations of mining processing, x-ray diffraction (XRD), chemical analyses and the rmogravimetric analysis (TG). The unit operations were hammer mill grinding, knife mill grinding, size separation and magnetic separation. After the hammer grinding process, the plastic cases were almost intact, however, they have released the cylindrical lithium batteries themselves and these parts correspond to 70% of the total battery weight.

Jan 1, 2001

By W. G. Davenport

H20 is present in many flash furnace inputs. Examples are: (a) moisture in concentrate and flux (b) humidity in blast (c) moisture in hydrocarbon fuel, particularly coal, Appendix IV. H20 may also leak into the furnace from damaged water-cooling jackets. H2O, especially that it be included H2O, exerts a strong cooling effect on the flash furnace. It is important our calculations. As will be seen from the calculations, gaseous and liquid H2O both increase flash furnace industrial oxygen and oil requirements. This is because gaseous H2O (humidity in blast) must be heated from its input temperature to the flash furnace off gas temperature. Liquid H2O must be evaporated and heated.

Jan 1, 2001

By Denise C. R. Espinosa

The amount of secondary batteries are increasing about 15% by year. Among these batteries, it can be highlighted the NiCd ones, due to their high consumption. In Brazil, the consumption of NiCd batteries grown quickly in the last 5 years, due to the dissemination of cellular telephones and other electronic devices. The first step of a process to recycle spent NiCd batteries is the pretreatment through unit operations of mining treatment. The aim of this work is to define a physical pretreatment to conditioning the waste to a pyrornetallurgical recycling process of spent NiCd batteries used in cellular telephones. Batteries were disassembled by hand to release the different components. The studied batteries are basically composed (by weight) of: 78% nucleus, 18% plastic case and 2% circuits. The grinding of the batteries was performed by knife mill and also by hammer mill. After grinding the material was screened and submitted to a magnetic separator.

Jan 1, 2001

By M. R. Jolly, J. -C. Gebelin

"A number of different types of so-called ""filters"" are used in the metal casting industries to impart some cleaning effect and flow control on the liquid metal as it passes through them. The filters range from simple planar meshes through extruded channels to reticulated foam structures and they are manufactured from a range of material going from metals to glass or ceramics. It is most common that software packages used in the industry model the filters by a simple pressure drop associated with some area fraction and permeability parameters.Recent experimental work at the IRC in Birmingham [1] has shown that filters of the same type can behave very differently depending upon the casting process in which they are employed. Modelling filter geometries for a range of different casting processes has indicated that the flow of metal and heat losses through the filters are rather complex and should be considered when using filters in the casting processes. This paper will present a number of cases of different types of filters modelled and different processes and indicate some of the sensitivities of the processes to boundary conditions imposed by the process.IntroductionFilters are commonly used in the foundry industry. The real action of the filters on the liquid metal is not really understood. Some filters are claimed to have a chemical action on the liquid metal or to be able to clean the metal by stopping the impurities or oxides that will result in inclusions in the cast part. However, some recent experiment carried out at the University of Birmingham in investment casting and results available on sand casting [2] have shown that the action of filters may be different in these two processes. As the main difference between these two processes is the mould temperature, the hypothesis of a partial solidification of the metal in the filter occurring in the sand casting process during the primary stage of the filling has been advanced, whereas there is little or no solidification in investment casting. In order to verify this hypothesis, and to reach a better understanding of how filters work, a numerical investigation of the flow and heat transfer in filters in both sand and investment casting has started at the University of Birmingham, in the framework of the FOCAST project. The FOCAST project is an EPSRC project aimed to increase the understanding of the investment casting process. Another issue is the way the simulation packages predict the influence of the filters on the metal flow. The filters are most of the time modelled as porous obstacles characterised by a pressure drop calculated from porosity and some surface ratios or proprietary coefficients. This paper will present the preliminary results of this numerical investigation. First, the different models that have been used are presented, followed by the obtained results. A discussion of these results and their perspectives conclude the paper."

Jan 1, 2001

By Mostafa O. El-Bealy

"To estimate the interdendritic cracking tendency in casting processes, a new model for interdendritic cracking criteria has been proposed. The model combines a concept of the alloying element effect on the interdendritic strain generation and therefore on the susceptibility of interdendritic cracking phenomena. A susceptibility of interdendritic cracking is modeled by using El-Bealy's interdendritic cracking susceptibility function ""BJCSF' and the opening displacement between the dendrites ""EIA "". These concepts are modeled based on the previous experimental observations and ElBealy' approach. The model is implemented numerically for a one-dimensional model problem with some similarities to the casting of steel. The variation of some key parameters that are known to influence the frequency and severity of the interdendritic cracking is then studied.I. INTRODUCTIONInterdendritic cracking ""hot tearing"" commonly encountered in both ferrous and nonferrous castings (1,2]. It is generally believed that interdendritic cracks start to nucleate and develop in the interdendritic strain region within the mushy zone [l-5]. The interdendritic strain region is then definitely coherent, but continuous films of liquid still exit (4,5]. This distinguishes interdendritic cracks from cold cracks forming during the casting process after complete solidification (6,7].Much effort has been put into the understanding of the interdendritic cracking phenomena, and several theories have been proposed. Fellini [8] stated that interdendritic crack ""hot tear"" will result if the material is subjected to too high of accumulated strain within so called vulnerable part of the solidification interval. Kinosita et. al. [9] and Campbell (10] also emphasized the role of tensile stresses in the forming of interdendritic cracks. Most interdendritic cracks criteria simply consider the size of solidification interval, stating that solidification range is associated with a lager interdendritic cracking susceptibility than a short range. Clyne and Davies (11] formulated a more refined such criteria based upon the time spent in different regimes of the solidification interval. They defined a vulnerable region in which thin continuous films of interdendritic liquid exist, and the permeability is low. When thermal strains are induced in this region, the film is not able to sustain the stresses, and an interdendritic crack will form."

Jan 1, 2001

By M. D. Stephens

A new, one-step process for extracting titanium from titaniferrous materials has been demonstrated. In the process, depleted uranium tetrafluoride (DUF 4), a solid, is mixed with ilmenite (FeTi03) and heated to 900°C. Titanium is extracted in the vapor phase as titanium tetrafluoride (TiF4) and the DUF4 is converted to uranium-iron oxide. The process has been found to selectively fluorinate the titanium in ilmenite and is capable of producing high purity TiF 4 with very low iron content. TiF 4 can be collected by condensation or through reaction with a fluoride salt such as NH4F, KF, or NaF. The TiF4 produced from the process can be used to make titanium metal, titanium oxide, or fluorotitanate compounds. Since the fluorination process is highly selective for titanium, it avoids many of the separations and waste issues common to other titanium extraction processes.

Jan 1, 2001

By Chonghun Han, Tae-Hwa Choi, Young-Hwan Chu

"A statistical optimization method is proposed to maintain stable operation in a blast furnace with stave coolers. The objective of this study is to find the operating condition which maximizes productivity as well as minimizes the heat load on the stave coolers. In this method, we first analyzed historical data and calculated the heat flux of stave coolers and the burden distribution by mathematical models. In this approach, we determined the variables to optimize and manipulated variables to adjust these response variables. Next, we collected the necessary data for the data variables after preprocessing such as removal of noise and outlier. Finally, we constructed empirical models describing the patterns of response variables in terms of manipulated variables by partial least squares regression method, and then these models were used as objective functions for entire optimization problem. By using appropriate optimization algorithm, we determined the compromised optimum operating condition considering all response variables from the past operating conditions.IntroductionBlast furnace operation which is accompanied by complex physical and chemical phenomena is an essential process for steel industry. In this process, iron ore which is charged into the blast furnace from the top goes downward. It is reduced to iron by CO gas and is melted by the heat of combustion of coke and pulverized coal. The pig iron is tapped at the bottom in liquid phase after removing the slag, which floats on the pig iron.The cooling equipment of the blast furnace wall is changed from the plate type to the stave cooler recently. In order to cool the shell uniformly and eliminate shell spray cooling, Pohang No.2 blast furnace of POSCO (Pohang Iron & Steel Company) was equipped with 11 rows of stave coolers. These staves are only 350mm-thick including the 170 mm-deep refractory on the hot face."

Jan 1, 2001

By Frederic Pineau

Semisolid metal alloys have a special microstructure of globular grains suspended in a liquid metal matrix. This particular physical state of the matter can be exploited to produce near-net- shape parts with improved mechanical properties. However, the behavior of the slurry is strongly influenced by the local solid fraction and state of agglomeration. Different flow instabilities ·associated with the combined flow and solidification process result, which make difficult the application of semi-solid processing in the casting industry. Moreover, the rheology of semisolid materials is not well understood. Most of the theory has been derived from experimental data, which are somewhat difficult to measure. A model that accounts for the multiphase nature of semisolid slurries is required to get more insight into such complex flows. This paper describes a mixture model for semisolid slurries. It assumes that the mixture of liquid-solid components behaves as a single fluid as far as overall mass and momentum balances are concerned. The coupling force between the phases is derived on the assumption that the slurry is a fluid saturated isotropic media. The proposed methodology is implemented in a finite element code. The model is then applied to the the filling of an industrial-scale capillary flow viscometer. Segregation patterns are obtained and discussed.

Jan 1, 2001

By Anil Saigal, Jr. Fuller, Said Jahanmir

"All-ceramic crowns, including glass-infiltrated spinel composites, are coming into widespread use because of their superior aesthetics and chemical inertness. This study investigates the residual stresses that are developed in these composites as a result of cool down from the glass-infiltration temperature to room temperature due to slight mismatch in the coefficients of thermal expansion and its effect on the mechanical behavior of these composites. Two-dimensional finite element simulations were performed using an object oriented finite element program OOF. The OOF program is a combination of two programs. The first program, PPM200F, is designed to read an image file such as a micrograph. The individual pixels that constitute the micrograph may be collected into groups and their material properties assigned. PPM200F is then used to create the finite element model/mesh that OOF then reads. The average residual stresses are found to be tensile in the spinel matrix and compressive in the infiltrated-glass. There is large variation in residual stresses and strains from location to location with presence of locations at which the glass is under tensile stress. The crack initiation and initial propagation in glass-spinel composites is at the glass-spinel interface in both the glass and the spinel. The presence of residual stresses can lead to lower crack initiation stresses and degrade the mechanical properties of the composites.IntroductionGlass-infiltrated spinel ceramics are in clinical use as core materials in all-ceramic crowns and as inlays and onlays (1-3). Advantages of ceramic composites include near net-shape forming with high strength in the infiltrated state. Besides, spinel is quite translucent and may potentially be used without a veneer. However, these ceramic composites are subject to damage accumulation from repeat oral contact loading and often fail after a few years of use (4). This paper examines the residual stresses that are developed in these composites, after cooldown from the glass infiltration temperature to room temperature, due to the slight mismatch in the coefficients of the thermal expansion of the two phases."

Jan 1, 2001

By Denise Corrêa de Oliveira

Common dry batteries use zinc as the negative electrode. Producers commonly use additives such as mercury to prevent corrosion and to increase the mechanical resistance of the zinc anode. Alkaline batteries also contain it, as an anti-corrosive agent. When mixed with the common municipal solid waste, heavy metals as zinc and mercury pollute soil and ground water supplies, moving to the food-chain and affecting human health. Due to these possible damages, this kind of waste must be properly disposed, or recycled. Thus, even in low amounts (ppm) in batteries, mercury has to be eliminated or, at least, its content should be reduced. This work presents the use of pyromettalurgical processes, to reduce mercury content and recover zinc. The tests involved batteries treatment at temperatures from 300° to 1000°C. Mercury is eliminated up to 650°C, and zinc is evaporated at higher temperature treatment. C

Jan 1, 2001

By Mark Cross, Hadi Abou-Chakra, Nicholas Christakis, Mayur K. Patel, John Baxter, Ugur Tiizful

"In recent years significant effort has been put into using continuum mechanics for the description of granular flows. Although these models are partially successful in capturing some flow characteristics, they lack essential information on material properties, which are needed to account for the interactions between different particles. Thus, they are incomplete and can not be used to describe processes such as hopper filling/emptying and pneumatic conveying, where particle-particle interactions can lead to phenomena such as segregation, degradation and agglomeration. In this paper, a 3-D unstructured finite-volume framework is presented, which employs interface tracking techniques to solve for the individual material components of the granular mixture in the bulk and thus, determine the material-air interface. Various transport processes, arising from the micro-mechanical properties of the different particle species in the granular mixture, can be obtained through kinetic theory. The transport coefficients of each of the individual species can be determined and analysed in a micro-mechanical framework and the transport process parametrised in the form of constitutive models. These models provide the continuum theory with information on the micro-mechanics.This work describes the continuum framework and the micro-mechanical parametrisations, which are used to describe the processes and interactions at the microscopic level. Numerical simulations and comparisons with experimental data are then presented for the case of binary granular mixtures and conclusions are drawn on the capability of the model to realistically predict and quantify the main characteristics of granular flows."

Jan 1, 2001

By S. Malinov, J. J. McKeown, W. Sha, S. McShane

"A model is developed for prediction of fatigue stress life S-N diagrams for Ti-6Al-4V alloy at different conditions, using Artificial Neural Network (ANN). Different factors which have influence on the S-N diagram are involved as input parameters of the NN, namely microstructure, environment, texture, test/work temperature, surface treatment and stress amplitude. As the output the S-N fatigue diagram is simulated and plotted.The model is based on standard multilayer feedforward neural network. The NN is trained with a comprehensive data set collected from the literature, using Levenberg-Marquardt training algorithm in combination with Bayesian regularisation. A very good performance of the trained Neural Network is achieved. Good correspondence between ANN"" prediction and experimental S-N diagrams is observed. Using the model S-N diagrams for different conditions are predicted and analysed. Graphical User Interface is developed for use of the model. We believe that the model will be important for practical applications in solving various problems on fatigue behaviour of the titanium alloy.IntroductionTitanium and its alloys have an increasing range of applications due to their very good combination of mechanical properties, corrosion and erosion resistance. They are currently finding widespread applications in many industries due to their desirable and versatile properties. Most important among the alloys is Ti-6AI-4Y. Jet aircraft manufacturers are the principal 'consumers of Ti-6Al-4V and it is often specified for critical parts, the failure of which could result in the loss of an entire system. A generic class of Ti-6AI-4V has been developed over the past years and it has become the best understood of all the titanium alloys. The advantages of titanium alloys include: (i) low densities, giving very attractive strength to weight ratios allowing lighter and stronger structures; (ii) superior corrosion and erosion resistance in many environments; (iii) high temperature capability. Although the titanium materials are still considered as expensive materials, for many applications the cost of titanium alloys can be justified on the basis of their desirable properties."

Jan 1, 2001

By Nils Lippmann, Ulrich Weber, Siegfried Schmauder, Jr. Mishnaevsky

"A computational approach to the optimization of fracture resistance of multiphase materials (here - high speed steels) by varying their microstructure is presented. The main points of the optimization of steels are as follows: (1) development and verification of the model: numerical simulation of crack initiation and growth in real microstructures of steels, (2) computational experiment: simulation of crack growth in different idealized quasi-real microstructures and (3) the comparison of fracture resistances of different microstructures and the development of recommendations to the improvement of the fracture toughness of steels. Numerical simulations of crack growth in real microstructures of steels and different idealized carbide distributions are carried out. On the basis of the simulations, recommendations for the improvement of high speed steel microstructures are given. It is shown that the fracture resistance of the steels is much higher for the fine than for the coarse version of the same type of microstructures.IntroductionThe purpose of this work is to develop an approach to the optimal design of multiphase materials on the basis of numerical simulation of their behaviour under mechanical loading. We suggest here the following strategy:1. Collecting input data for the simulations: taking a micrograph of a microstructure, and determining mechanical properties and failure conditions of the material constituents [1, 2],2. Simulation techniques and assumptions are tested for a real microstructure of the material: crack growth in a real microstructure is simulated and then compared with the experimental data,3. Computational experiments: different microstructures of materials are tested in the numerical model under the same loading conditions. The calculated service properties of the different microstructures are compared, and recommendations are developed. As differentiated from the ""real"" experimental techniques, the computational experiment is much cheaper and not labor- and time-consuming."

Jan 1, 2001

By B. Erik Ydstie, Dimitrios I. Gerogiorgis, Sridhar S. Seetharaman

"Carbothermic production of aluminium is an important alternative to electrolytic processes and has in fact been identified several decades ago as a potentially feasible and profitable process. The cornerstone principle is to take advantage of the endothermic reduction reaction between carbon and alumina instead of resorting to extreme amounts of electric energy to ionize and reduce aluminium oxide to aluminium. Electric energy is necessary only for heating purposes.The present study focuses on constructing and solving a steady-state electrothermic model for obtaining the spatial distributions for electric potential, electric field intensity and temperature. The complex issues of reaction kinetics and multiphase flow are handled by an approximation and are not addressed at the present stage, due to the lack of complete validated models. Because of its inherent complexity, the reaction slag is considered a pseudohomogeneous layer.An electrothermic simulation encompasses important research challenges, due to the limited knowledge of thermophysical properties for high-temperature multi component molten slags. Therefore, thermophysical property modeling and a systematic compilation of published data is a necessary and major first step towards enhancing understanding of the process fundamentals. Models are obtained by analyzing measurement data from numerous literature references for the density, viscosity, thermal and electrical conductivity and specific heat capacity of the slag.The electric potential, field intensity and temperature distributions obtained reveal interesting maxima which indicate localized superheating and lead to important engineering conclusions. The temperature profile calculated will serve as the foundation for the flow problem solution. This computational study will form a basis for future research towards combining the scopes of microscale CFD modeling and mesoscale process modeling into a unified modeling approach."

Jan 1, 2001