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By Vladimir Mindin

Simulation of complex equilibria is usually done in the P-T-X coordinates, where "Xu is the amount of individual chemical components in the system. This approach is not productive in some very important cases: (i) investigation of "open" systems, (ii) determination of coordinates (trajectories) of mono-variant points, among others. To solve these and some other problems, we use the idea of chemical potentials of elements (CPE) of the system. A system of different coordinates axes (CPE-axes ) leads to a new strategy of simulation, observing the results of the simulation, and to efficient technology of compressing and storage the data of the simulation.

Jan 1, 1994

By J. P. Gu, C. Beckermann

"Melt convection and macrosegregation in casting of a large steel ingot is numerically simulated. The simulation is based on a previously developed model for multicomponent steel solidification with melt convection, and involves the solution of fully coupled conservation equations for the transport phenomena in the liquid, mush, and solid. Heat transfer in the mold and insulation materials, as well as the formation of a shrinkage cavity at the top are taken into account. The numerical results show the evolution of the temperature, melt velocity, and species concentration fields during solidification. The predicted variation of the macrosegregation of carbon and sulfur along the vertical centerline is compared with measurements from an industrial steel ingot that was sectioned and analyzed. Although generally good agreement is obtained, the neglect of sedimentation of free equiaxed grains prevents the prediction of the zone of negative macrosegregation observed in the lower part of the ingot. It is also shown that the inclusion of the shrinkage cavity at the top is important in obtaining good agreement between the predictions and measurements.IntroductionMacrosegregation in large steel ingots is one of the most well-known and now classical problems in the field of solidification and casting [1]. Commonly found macrosegregation patterns in steel ingots are a positively segregated zone at the top, negative segregation near the bottom in the equiaxed zone, inverse segregation near the ingot surface, V-segregates along the centerline, and A-segregates in the columnar zone [2, 3]. It is well established that the macroscopic transport of species leading to macrosegregation can occur by a variety of mechanisms, including thermally and solutally driven natural convection of the melt in the mushy zone, flow due to solidification contraction, and the sedimentation of free equiaxed crystals. Fredriksson and coworkers [ 4,5] provide recent overviews of the solidification transport phenomena and macrosegregation in ingot casting."

Jan 1, 1999

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 Alan P. Prosser

The heap leaching of gold ores by cyanide solution was simulated by computer program. The program uses only basic m1neralogical and chemical data; no process testwork data, such as column leach results, are required. The simulation can be used to forecast the consequences of various changes before and during the testwork, design and operation stages of a particular ore-process system. Also, data about the state of different parts of the heap at various times help create an understanding of what is happening. The effects of mineralogical and process variables on the overall performance of the ?heap leaching process are illustrated. Comparisons are made to column leach tests and production data. The potential of the simulation strategy is discussed for making better use of operating experience and for suggesting specific research objectives. It has become clear that more attention should be paid to other metals that dissolve in the solution.

Jan 1, 1989

By Kenji Matsuzaki

A mathematical simulation model of the Imperial Smelting Furnace operation has been developed for purpose of improving the furnace operation. The model consists of top, shaft and bottom regions, Analysis in the shaft region is based on differential heat and materials balances taking account of reaction kinetics and heat transfer rates, and those in the top and the bottom regions are based on heat and materials balances under a steady-state condition, Longitudinal distributions of process variables such as temperatures of gas, sinter and coke, gas composition and fractional conversion under a practical operating condition were calculated, With this model, the furnace performance under various operating conditions also can be shown reasonably predicted,

Jan 1, 2003

By Malsuzaki. Kenji

A mathematical simulation model of the Imperial Smelting Furnace operation has been developed for purpose of improving the furnace operation. The model consists of top, shaft and bottom regions. Analysis in the shaft region is based on differential heat and materials balances taking account of reaction kinetics and heat transfer rates, and those in the top and the bottom regions are based on heat and materials balances under a steady-state condition. Longitudinal distributions of process variables such as temperatures of gas, sinter and coke, gas composition and fractional conversion under a practical operating condition were calculated. With this model, the furnace performance under various operating conditions also can be shown reasonably predicted.

Jan 1, 2003

By M Phil Schwarz

"A CFD model for the gas-side of an impinging jet iron bath reactor has been developed to assist in the interpretation and design of oxidizing gas-melt reaction rate experiments. Heat transfer and reaction at the surface have been included. A free surface model, which solves for the liquid motion within the bath as well as the gas motion above the bath, has also been developed. This model also predicts extent and shape of the dimple formed on the liquid surface by the impinging jet. Both models have been run for conditions typical of jet impingement experiments using CO2 , H2O and O2• The main conclusions are• Results from the model for gas-side mass transport are in good agreement with the empirical correlation of Belton and Belton (1980)• Experimentally determined rates of decarburization by CO2 should be corrected for mass transfer because the experiments are often carried out under mixed rate control, eg for gas flow rate 10 L/min when the sulphur concentration is lower than 0.045• If the rate constant for oxygen reaction is greater than about 5 mol/m2.s.atm, it cannot be determined using a gas flow rate of 10 L/min or lower because of mass transfer control.• A cavity of depth 4.5 mm is predicted for a gas flow rate of 10 L/min and this substantially changes the flow field (and hence reaction rate) compared with a simulation in which the surface is assumed to be flat."

Jan 1, 1999

By John ?gren, Martin Schwind, Henrik Larsson

"A new model for internal oxidation, as well as similar processes, has been implemented on computer. It is based upon a combination of random walk and cellular automata and is capable of treating 3-dimensional cases. To model diffusion, it utilises quantised units of matter. All steps of the process are included: nucleation, growth and coarsening. The effect of grain boundaries on diffusion as well as nucleation is taken into account. Further possible development is briefly discussed; especially the treatment of nucleation needs further consideration. IntroductionComplex diffusion-controlled processes may now be simulated on a routine basis when concentration varies along one co-ordinate only. One-dimensional simulations capture much of the information of interest but not all. For the case at hand, especially the spatial and the size distribution of precipitates, as well as the impact of grain boundaries, would be interesting information not accessible from 1-D simulationsSolving the full Fick-Onsager law in three dimensions does not seem feasible with the computers of today. In the model described in this article, random walk by quantised units of matter are considered. The model should be useful for a number of cases involving dispersed systems. With further development, it would indeed seem possible to simulate most types of phase transformations.Previous workWe have previously published two articles [1,2] on the new approach discussed in this work. In those articles we described the basic idea and showed, among other things, that very good agreement with an experimental concentration profile can be obtained, in a single-phase system, using independently assessed thermodynamic and kinetic data. Also, Schwind used the same random walk based concept to model coarsening [3]."

Jan 1, 2001

By Baicheng Liu, Houfa Shen, Wensheng Li

"In order to understand the formation of macrosegregation in steel ingots, a mixture model has been developed which accounts for coupled mass, momentum, species, and energy transport to describe the sedimentation of free equiaxed grains during solidification. In this model, the mushy zone is divided into the slurry and porous regimes according to a solid packing fraction. Settling velocity of equiaxed grains in the slurry regime is given by an explicit expression. The solidification of a binary steel ingot (Fe-0.36wt.%C) with a two-dimensional geometry is numerically simulated. It is demonstrated that the predicted macrosegregation patterns agree to some extent with classical experimental results. Further refinement of this model is still necessary for realistically simulating steel ingot solidification.IntroductionModeling macrosegregation in steel ingots is still a challenging study, mainly due to the length scale of the products and the complexity of global multiphase transport phenomena coupled with microscopic solidification kinetics [l]. The thermal-solutal convection and the motion of equiaxed grains are the two main mechanisms responsible for macrosegregation. But there are few models that deal with the motion of equiaxed grains, which is confirmed as the main phenomenon that explains the negative macrosegregation along the centerline of large steel ingots [2]. A model which takes into account melt convection and grain sedimentation was first proposed by Beckermann and co-workers ([3], and references therein). More recently, similar multiphase solidification models with advanced nature have been presented by Wu and Ludwig [1,4] and Combeau and co-workers [5,6]. It is known that the application of these sophisticated models to steel ingot casting is at its beginning.In this paper, a solidification model based on continuum mixture approach, using much less sophisticated relations to obtain the settling velocity of free equiaxed grains, has been proposed in order to predict the macrosegregation in steel ingots. The model is applied to simulate the solidification of a binary steel ingot with a two-dimensional geometry, and preliminary modeling results are presented."

Jan 1, 2011

By Jie Ma, Shun-Li Zhao, Jian Zhao, Jie-Yu Zhang

"Microstructural morphology evolution of Ni-45wt.%Mo droplets during rapid solidification process was investigated using an advanced modified 3D cellular automaton-finite element(CAFE) model by CALCOSOFT software. The model was modified by User-defined functions (UDFs) and validated with experimental solidification microstructural morphology of Ni-45wt.%Mo droplets available in the literature. Then, the influences of convection heat transfer coefficient, superheat of the alloy droplets and droplets size were investigated during the rapid solidification process. The predictions show that microstructural morphology is obviously sensitive to convection heat transfer coefficient and droplet size. With the decrease of convection heat transfer coefficient, the grain density decreases. In addition, the decrease of the droplet size could obtain refined microstructure. However, decrease the superheat ofNi-45wt.%Mo droplets has little effect on microstructural morphology.IntroductionFor several decades, much attention has been paid to undercooled alloy droplets of rapid solidification process for which can obtain refined microstructure, decreased microsegregation and extended solubility of alloying elements [1-3]. Extensive prior work shows that solidification of droplets plays an essential role in advanced material properties [ 4]. Consequently, it is very important to investigate the microstructural morphology evolution, especially for dendrite growth during non-equilibrium solidification process, for dendrite growth reflected the kinetics of the crystal growth process."

Jan 1, 2013

By Hebi Yin

A coupled cellular automaton (CA) - finite element (FE) model was developed to calculate the growth of dendrites during the solidification of cubic and hexagonal metals. The model solves the conservation equations of mass, energy and solutes in order to calculate the temperature field, solute concentration and the growth morphology of dendrites, including the grain structure and the dendritic microstructure. Validation of the model was performed by comparing the simulation results with calculation results from previously published works, showing qualitatively good agreement in the dendritic morphology. Application to magnesium alloy AZ91 illustrates the difficulty of modeling dendrite growth in hexagonal systems, observed as deviations in growth direction caused by mesh-induced anisotropy. The model was applied to the simulation of small specimens with single- and multiple- equiaxed grain growths and columnar grain growth in directional solidification. The influence of cooling rate and some kinetics parameters on the grain morphology are also discussed.

Jan 1, 2009

By I. Ohnaka

Although many works have been reported on the semisolid casting, the mold filling behavior of semi-solid alloys has not been so well understood. This paper compares the physical and numerical simulation results on the mold filling behavior. Physical simulation was performed by using solid-water mixture. The numerical simulation was made under the assumption of one phase flow with an effective viscosity. It was found that the solid particles stabilize the flow greatly if the kaction solid exceeds about 0.4, because viscosity increases greatly. The overall flow behavior can be estimated by the numerical simulation. Interesting flow behavior was also found which can not be observed in the case of one phase flow and which is difficult to simulate by the one phase flow assumption.

Jan 1, 1997

By Luiz R. P. De Andrade Lima

This paper presents a mathematical model for the oxide copper ore heap leaching process. The data used in the model include physical-chemical, .geometrical and operational data, as: leachable metals ore contents, .flow rate and acid concentration, parameters of passivity, ore size distribution, the average residence time of the solution in the heap, height, irrigated area and weight of ore in the heap. In this model the heap is divided into horizontal and plane layers of constant area. The flow of the liquid in the heap is considered unidirectional and the solid-fluid reaction model is considered under diffusive control. The average residence time of the solution into the heap and the apparent effective diffusivity of the acid through the ore particles have .a significant influence on the rate of the copper extraction and its concentration in the pregnant solution; therefore these parameters are used in the model calibration. When this algorithm was applied to a laboratory test, the results showed that the model is adequate to predict the process performance.

Jan 1, 1999

By J. Rajek

The novel multi-component, multi-particle, multi-phase precipitation model developed recently is used to predict the precipitation kinetics in complex 9-12% Cr steels investigated within the European COST 522 project. These steels are used for tubes, pipes, casings and rotors in USC (ultra super critical) steam power plants for the 21st century. In the computer simulations, the evolution of the precipitate microstructure is monitored over the entire production heat treatment starting with the casting process, including austenizing, several annealing treatments and in-service conditions. The main interest lies on the concurrent growth and coarsening interaction of different types of precipitates. Keywords: Precipitation kinetics, heat treatment, power plant steels, simulation

Jan 1, 2003

By Paul W. Cleary

Keywords: Reactive pellets, CFD, Lagrangian SPH, Pyrometallurgy In several pyrometallurgical processes, reactive pellets are added to a melt. Heat is transferred to the pellets and reaction products such as gases, metal and slag are formed. For many pyrometallurgical processes traditional grid based CFD methods, such as using the Finite Element Method (FEM) and Finite Volume (or Control Volume methods), produce suitable predictions. However, the inclusion of solids in the bath represents significant challenges for these methods. Smoothed Particle Hydrodynamics (SPH), a Lagrangian simulation method, is able to simulate both the fluid component of the bath and any immersed solid materials, tracking the motion of these solids, and their interaction with the fluid, including gas generation. In this paper, we will summarize the key aspects of the SPH method and will show a series of structured examples illustrating the behavior of the different physics sub-systems that are used in the model of the overall system.

Jan 1, 2005

By Jie Ma, Bo Wang, Jieyu Zhang, Jian Zhao, Guangxin Wu, Shunli Zhao

"Nucleation and growth model based on a 3D CAFE model, which was incorporated with macro heat transfer calculation within ProCAST software was used to predict the solidification microstructure of austenitic stainless steel in twin-roll strip casting. The simulation results of solidification microstructure agreed well with experimental results of austenitic stainless steel. The effect of different casting process parameters on the solidification microstructure was simulated. The predicted results show that solidification microstructure is obviously sensitive to superheat and convection heat transfer coefficient. With the increase of superheat, the grain density decrease and the proportion of columnar crystal increase. In addition, the proportion of columnar grains increases when convection heat transfer coefficient increases. Thus, it was demonstrated that the solidification microstructure evolution of twin-roll strip casting could be predicted reasonably by using this model.IntroductionNear-net-shape casting technology is an important research area in the iron and steel industry today. Twin-roll strip casting represents a major area of concentration of near-net-shape casting technology. It has been widely used for its outstanding advantages, such as extended solubility of alloying elements, refined solidification microstructure and reduced microsegregation [1]. Furthermore, it is the most environmentally friendly, energy saving, and C02-sensitive way to produce steel strips [2]. Therefore, much attention remains to be paid to this aspect. A lot of published works indicated that the solidification microstructure of twin-roll thin strip has obvious effect on the thin strip properties [3, 4]. For the accurate control of parameters of the process are made difficult due to the complicated process and the multi-fold factors, great attentions have been paid to numerical simulations to provide insight into the solidification behaviors of the thin strip formed by twin-roll strip casting [5, 6].Simulations of casting solidification can provide a method to predict microstructure and to improving strip quality by controlling the process parameters."

Jan 1, 2014

By SenYang Qian, ShuangYu Du, Bo Wang, Jieyu Zhang, Jian Zhao

During the solidification process, the flow pattern of the molten steel has significant influence on the formation of solidification microstructure. In present study, the solidification microstructure of 30Cr2Ni4MoV steel ingot under different intensities of mechanical oscillation(forced convection) was simulated by using ProCAST®software. The results showed that the increase of the intensity of oscillation could restrain the development of the columnar grains and refine the grains. As the intensity of oscillation increased, the proportion of columnar grains decreased and the proportion of equiaxed grains increased. When the intensity of oscillation was at a low level, the effect of refining grains could be improved obviously by increasing the intensity. However, as the intensity increased to over 0.833, the effect of refining grains would not be improved.

Jan 1, 2016

By Jie Ma, Bo Wang, Jieyu Zhang, Jian Zhao, Zheng Chen

"In this paper, solidification process of steel ingot was simulated by ProCAST software, based on cellular automaton-finite element (CAFE) model. A 22 t steel ingot was divided into continuous small zones (100x150x180 mm) in radial direction, then the temperature field, shrinkage cavity and porosity, particularly, the microstructure were simulated. The results show that: there was a columnar-to-equiaxed transition in microstructure on radial direction. Zones, closing to the center of the ingot, had a more developed and fined equiaxed zone, while zones closing to the periphery of the ingot had a more developed columnar zone. It indicated that temperature gradient has a great influence on microstructural morphology. Thus, the simulation results were highly agree with the experimental results, verifying the feasibility of this simulation method. It significantly reduces the time of simulation, and has important significance for predicting the microstructure of large steel ingot.IntroductionSolidification microstructure of steel ingot have a significant effect on the quality of the final steel products. Although many experimental works have been carried out in order to obtain the optimum condition for solidification process of continuous casting, it is also very desirable to establish mathematical models to simulate the evolution of solidification structure. The simulation methods can be divided into deterministic models and stochastic models, which have been developed rapidly over the last couple of decades. Cellular automaton method is one of the stochastic models. Rappaz and Gandin [1, 2], Nasatac and Stefanescu [3, 4] are the earliest researchers engaged in the this field. Moreover, Rappaz and Gandin simulated the solidification structure and CET (columnar grain to equiaxed grain transition) of metals using the CAFE method (cellular automaton-finite element method) for the first time [1, 2]. Recently, the CA (cellular automaton) model also considered the effects of fluid flow on the solidification process. Zhu, et al. [5-11] improved method of CA , they used the KGT model to describe the undercooling needed during the growth of the dendrite tip."

Jan 1, 2014

By A. V. Reddy, C. Beckermann

"The DC continuous casting of a grain refined AI-4.5%Cu round ingot with realistic boundary conditions is numerically simulated. Of particular interest are the effects of the transport of free solid in the form of equiaxed grains on the macro segregation patterns and the final grain size distribution. The study uses a previously developed two-phase model that incorporates descriptions of heat transfer, solute redistribution, melt convection, and solid transport on the system scale with microscopic models of solutal undercooling, microsegregation and grain impingement. The numerical results indicate that grain transport inhibits the formation of inverse segregation in the ingot shell and promotes negative centerline segregation. This is explained by the reduction in the solid coherency next to the mold and the advection of solute-lean grains towards the centerline. Comparisons with the experiments of Finn et al. [5] illustrate the need for considerable improvements in the model. IntroductionMacrosegregation continues to be one of the concerns in DC continuous casting of aluminum ingots. The variation in composition over the ingot cross section results in the need to adjust alloy composition in order to meet mechanical property specifications in finished products. The extent of macrosegregation is greatly affected by the casting conditions, such as casting speed, superheat, cooling rate, mold size, alloy composition, and grain refining practices. Thus, it is of great interest to develop a comprehensive mathematical model to simulate the casting process, enabling the selection of conditions that minimize macrosegregation while maintaining a high productivity."

Jan 1, 1994

By H. Cui

Rapid technological development has caused an increase in the demand for rare earths. Ancylite, a strontium rare earth carbonate, is a potentially significant source of rare earths. In this research paper, essential aspects of the magnetic separation and flotation processes for Bear Lodge ore are presented. A flowsheet is proposed based on an optimization of the variables and flotation simulation. The economic feasibility of the proposed processing operation is analyzed.