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By Günter Petzow, Hans Leo Lukas, Hans Jürgen Seifert

"The CALPHAD method (CALculation of PHAse Diagrams) has been extensively developed in the last 25 years and became a useful tool in materials science. Thermodynamic descriptions for the functions of state of unary, binary and ternary phases are derived by the optimization of phase diagrams. These functions are stored in computerized thermochemical databases and can be combined to extrapolate to multi component systems. Depending on special demand, the actually most advantagous presentations of the calculated results can be chosen: tables or in a clear graphical form as phase diagrams, phase amount diagrams or volatility diagrams. The method will be desribed by the system Ti-Si-C-N-O including the ceramic subsystem Si3N4-SiC-TiCi,N1_1,-C-N-O which is very important for the development of ceramic composites. The calculations give the thermodynamic stabilities of the condensed phases as function of temperature, concentration and partial pressure of different gas species. Adjusting the sintering conditions to these results the formation of unfavourable compounds or liquid phases can be suppressed.IntroductionThe CALculation of PHAse Diagrams (CALPHAD-method) of multicomponent systems provides the possibility to plan experiments very efficiently and avoid the experimental trial and error approach for the development of materials. The main problem for best use of calculated results is their interpretation with regard to the specific applications under consideration. Tables give the exact quantitative data for the treated phenomena. However, most important to make best use of these thermodynamic data is their graphical representation especially designed for the solution of specific problems, scientific as well as application oriented. Only well chosen graphical representations support a comprehensive understanding of the thermodynamic interrelationships and the transfer to the problem."

Jan 1, 1996

By Judy Che, Steven Ceccio, Gretar Tryggvason

"A detailed understanding of drop deformation and solidification is essential for quantitative predictions of geometry and properties of parts made by ballistic particle manufacturing processes. Axisymmetric results of towers built by the deposition of multiple drops are presented. In these computations, fluid flow, heat transfer, and phase change are fully coupled throughout the drop deformation and solidification process. The solution method is based on a single set of conservation equations written for all phases simultaneously. The phase boundaries are treated as imbedded interfaces by adding the appropriate source terms to the conservation equations. A parameter study demonstrates the effect of Weber number, Peclet number, and drop deposition frequency on the final shape of the structure. Numerical results show that most successful method of building uniform towers is when two conditions are met. First, each drop solidifies at the same time in the deformation cycle. Second, the cooling rate is slow enough to allow for good adhesion between drops. The ability to predict the final shape of deposited drops will greatly reduce the amount of experimentation necessary to select the desired set parameters for any artifact.IntroductionMaterial deposition techniques based on layering small molten metal drops holds the promise to build small, coherent three-dimensional structures. In this process, numerous 20-100 µm diameter drops are deposited onto a substrate with a low impact velocity (on the order of 5 mis). Both the momentum and trajectory of each drop are controlled precisely to build up complex parts. This material layering technique differs from processes such as spray forming and splat quenching which involve high impact velocities (on the order of 100 mis) and high frequency deposition with little control over individual drop placement. This process of layering small drops can produce parts with near net shape accuracy, while spray forming produces slabs of material which must then be worked to make a usable part. The ability to computationally predict final drop shape and cooling rate has the advantage of allowing the user to select parameters to produce parts with desired shape and mechanical properties. However, the development of such predictive methods requires a thorough understanding of both drop deformation and solidification"

Jan 1, 1999

By N. El-Kaddah, J. W. McKelliget

"A mathematical model for the analysis and design of hybrid plasma reactors for advanced materials synthesis is presented. The model is based upon a solution of the electromagnetic vector potential equation and is capable of predicting the two-dimensional velocity, temperature, and electromagnetic fields as well as the reaction kinetics inside the reactor for any axi-symmetric coil configuration. The model is used as a computer aided design tool for the design of hybrid plasma reactors consisting of a conventional DC torch augmented by an RF induction coil and it is demonstrated that the hybrid system possesses superior characteristics for materials synthesis over conventional DC or RF systems. The coupling between the RF and DC components is found to affect both the temperature field and the flow field and to have a significant effect on the reaction kinetics and on materials recovery. The model is used to study the thermal decomposition of silicon tetrachloride as a function of reactor design and operating parameters and it is demonstrated that through a CAD approach it is possible to significantly improve the operation of materials synthesis systems.IntroductionIn recent years there has been growing interest in the use of the inductively coupled plasma for chemical synthesis as a way of meeting the increasing demand for high quality, high performance materials for use in critical applications/l/. Although the basic feasibility of this approach has been demonstrated in the laboratory/2,3/ there still exists a number of operational problems that adversely affect system performance for some applications. In particular, the recirculation and back flow effects that arise from the electromagnetic forces in the plasma can result in the repulsion of the reactants from the hot plasma core and their subsequent deposition on the walls of the reactor. Another operational problem arises from the fact that the energy dissipated in the plasma has to compensate for the heat losses to the environment by conduction, convection, and radiation in order to maintain the ionization of the plasma and, hence, the stability of the plasma may be affected by the presence of the reactants and their products."

Jan 1, 1988

By Hani Henein, J. Barry Wiskel

"The easy accessibility and power of the PC, as well as the education of our engineering students in the use of these tools, are compelling reasons for developing computer aided instructional (CAI) tools. There are a wide range of areas in the engineering curriculum where students must learn the steps and the process of applying judgement in problem solving. In the typical course instruction, · an instructor introduces theory to students; the application of the theory to solving problems is often demonstrated in the abstract. Students therefore spend a significant amount of time learning how to apply the theory to problem solving. Additional time and effort must then be spent to get students to the point of learning concepts and integrating this knowledge. A number of computer aided packages have therefore been developed for use in several courses in the materials science and engineering curriculum that encompass both calculational and instructional capabilities. This paper presents an overview of some of these packages which include the solution of a non-linear equation, the instruction of binary diffusion couples, an introduction of crystallography, an introduction to heat transfer and the solution of thermodynamic stability diagrams. The context in which these CAI Tutorials were developed and are being used will be discussed. The pitfalls in the development of these packages will also be discussed. The use of the tutorials has important implications on the expectations from an engineering education of both instructor and student.IntroductionTraditionally, it is quite routine to teach engineering students how to use a computer (the PC today for undergraduates) as a tool in performing engineering calculations or in simulating a process or a unit operation. This often takes the form of one course in computer programming, whether it is Fortran, Visual basic or a spreadsheet, and another course in numerical computation. However, the materials and electronic revolution have brought about considerable advances in computer power and speed, and accessibility. Today, the manipulation of digital images, movies, and speech are commonplace on a desktop PC.' Many mathematical models that were executed only on workstations can now be readily handled on a PC. Concurrently, more of our students own a PC even if their curriculum does not require them to purchase one. Today, virtually every university student has been introduced to the PC in either their elementary or high school education. Hence, the increased capabilities and accessibility of the PC and the familiarity of students with this tool make it compelling to explore its use as an educational tool for our engineering students. This is not a traditional role of a computer in our engineering curriculum."

Jan 1, 2000

By John R. Howell

"SUMMARYThe process of producing a new cast component requires significant design and development by both the design engineer and the foundry engineer. This effort strives to produce a high quality component at minimum cost. To assist in this development, an analysis system, consisting of several computer programs, has been developed to simulate the metal casting process. This system incorporates analytical geometric solid modeling, finite element analysis, results display, and an innovative technique to model the casting mold with surface boundary conditions.The simulation has produced excellent thermal results and work is in progress to develop techniques to enable use of this data in additional analyses to predict porosity and residual stress. Research is required to produce working parametric formulations of material properties. Software development is required to develop good fluid flow analyses for large. 3D models to simulate filling of and convection in molds.Integrating this system of programs is difficult due to proprietary database structures used by software developers. However, an acceptable means has been accomplished' to move data from one program to another. Further software development is required to facilitate this task. INTRODUCTIONThe process of producing a new cast component requires significant design and development by both the design and foundry engineer. This effort strives to produce a high quality, reliable component at minimum cost in a timely manner. The design engineer needs to know the physical and mechanical properites which can be expected in the actual part at critical areas. This will enable him to design a part with minimum material while fulfilling the performance required. The foundry engineer needs to produce a sound, quality casting with a minimal amount of material In risers, the feeding system and machining stock. This must be done with a minimum· investment in tooling and development time and maximum productivity of labor and capital employed. This task Is continually being made more difficult because of increased competition in the marketplace and the use of castings in more severe service. This has strongly influenced the need for high quality castings.The task of developing a new casting is difficult for both the design and foundry engineer. To assist in this development, Deere & Company has been engaged in the development of an analysis system to simulate material processes. A major portion of this program involves simulation of the metal casting process. This analysis system has evolved into a package of computer programs which simulates casting solidification and subsequent cooling through the finite element method"

Jan 1, 1986

By Susumu Okabe

Mitsubishi Continuous Copper Converter employs the top blowing lance system for the continuous supply of reaction gases into the molten bath. In order to avoid the excessive refractory wear caused by the melt splash without loss of the reaction efficiency, the furnace design and the blowing condition should be optimized. Empirical equations which correlate the splashing rate on the' side wall with the dimensions of the furnace, lance position, lance size, gas velocity and bath properties were obtained by by the physical model study, and compiled into a computer program. The computer program is effectively utilized for the analysis of the actual operation and for the optimum design of new furnaces.

Jan 1, 1998

By Richard L. Summers

The shaped charge has proven in various military and industrial applications to be an effective penetrator of materials. Upon initiation a detonation wave traverses the explosive billet, collapsing a metallic liner and creating a jetting process. From multiple non-simultaneous flash radiographs of the jet in free flight, the observer can study the collapse, formation, and growth of a shaped charge jet. Digitization of a particulated jet's position and shape from the radiograph into electronic storage files provides the experimentalist with an efficient basis for data reduction. With the aid of a simple personal computer, one can in a matter of minutes generate a wealth of information concerning jet formation after initiation and thus gain insight into the quality of its manufacture, design, and assembly. This paper will in detail explain the methods in place for fully automated data reduction of radiographic films. Methods of computer aided digitization of particulated jets and analysis of physical jet characteristics and performance will be discussed.

Jan 1, 1992

By P. Felix

A discussion on the need of visualization and animation tools in modelling solidification processes is made. An outline of an approach for the production of a video computer animation is provided. A number of examples including, 2 and 3 dimensional melting, filling, and macrosegregation are presented.

Jan 1, 1993

By B. C. F1intoff, R. G. Bradburn, E. Groiss

"The concentrator at Brenda Mines Ltd. treats a copper - molybdenum porphyry ore with current head grades of 0.185% Cu and 0.036% Mo. The consistently low head grades provided the driving force to explore methods of improving plant productivity. Computer based process control was recognized as one means of addressing this objective. Over the period from 1974 to 1982 a control system evolved which now extends to every area of the mill. Control strategies are built on elements of classical, modern and rudimentary expert control. In addition, the control system has often served as a catalyst for other technological developments. The economic returns associated with the system are very significant and it has played an important role in the mine's survival in times of poor metal markets. This paper presents an overview of the computer control system at Brenda.PreambleOne can scarcely avoid picking up a trade magazine or newspaper today without seeing some reference to technology and its potential impact on North American business. _A recurring theme is the need to apply technology to raise our standard of plant automation in the manufacturing and process industries. The general thesis of these articles has been concisely captured in the mutually exclusive set:AUTOMATE or EMIGRATE or EVAPORATEProcess control is one form of automation that has been successfully exploited by various sectors of these industries. In minerals and metal processing the wide scale adoption of process control technology has, until recently, been largely limited to a few companies - most of whom have a history in the area dating back to the early 1970’s. However, there is definitely an increased and much broader interest in process control as a technology which can improve performance, productivity and profit.The economic hardships that were visited on the mining industry in the early 1980's are not easily forgotten. It is the authors' conviction that the mining industry must move to implement proven technology, in particular process control, in order to be well postured for the next (inevitable) down cycle.In pursuing the technical and trade literature, one can discover a number of example of the successful utilization of process control systems in mining and related applications. In the text which follows, the authors describe the process control efforts undertaken in the Brenda Mines Ltd. concentrator."

Jan 1, 1989

By M. Tokumasu, T. Mutoh, Y. Sugawara

"In October 1986, a process computer was introduced in order to achieve an optimum combustion of pulverized coal at the reverberatory furnaces. The secondary combustion air volume is controlled based on the nitrogen oxide concentration of the off-gas from the reverberatory furnaces. The carbon monoxide concentration has strong relation with the concentration of nitrogen oxide under the situation of using alternative fuels, such as chipped tires and p,ulverized coal. Using this computer aided combustion control system, both nitrogen oxide and carbon monoxide concentrations were stabilized and conventional monitoring and controlling apparatuses were absorbed into this computer system. Due to this easily operated system, labor cost was reduced and the operation of the reverberatory furnaces and the off-gas treatment plant became stable.IntroductionOnahama Smelter and Refinery started its operation in April 1965 as a large scale copper smelter and refinery in Japan. The green charged reverberatory furnaces were introduced and bunker C oil was chosen as the fuel for the reverberatory furnaces. After the oil crises, Onahama was forced to use cheaper fuels such as coal and waste tires, i.e., alternative fuels instead of the expensive oil. As the amount of the alternative fuels fed to the reverberatory furnaces increased, the concentrations of nitrogen oxide and carbon monoxide in the off-gas became unstable. Consequently, the fluctuation of the combustion condition became not to be negligible in view point of a combustion efficiency and pollution regulations. A process computer has been introduced to overcome these off-gas troubles and to reduce the operating cost of the smelter.Outline of Operation HistoryInitially, the operation started by one reverberatory furnace and then the capacity was expanded almost twice by additional furnace in December 1972. As shown in Figure I, the smelting throughput was depressed after oil crises in 1973 and 1978. From 1983 to 1985, some copper mines stopped their operations because of low price of copper metal. During this period, Onahama suffered from the shortage of concentrate production levels were depressed."

Jan 1, 1989

By Deming Wang, R. A. Overfelt

"This paper presents a computer-aided heat transfer simulation method to predict the thermal characteristics of an alloy sample in a special furnace for directional solidification. A two-dimensional transient heat transfer by conduction combined with radiation is developed to calculate the energy exchange between a directional solidification furnace and the sample. Finite difference equations with control volumes are used to calculate the transient heat transfer. A special boundary control volume is used to combine heat conduction and radiation in the transient heat transfer. Heat radiation effects on the surfaces of the special control volumes with a changeable view factor during directional solidification processing are also represented. The simulation results are verified by measurable experimental data. Using the computer simulation model, many thermal properties of the directional solidified castings can be obtained, such as temperature distribution, solidification velocity, the shapes and positions of the liquid/solid interface and thermal gradient at the interfaces. These are very important to analyze microstructure of casting alloys, avoid casting defects and control casting quality. 1 IntroductionIn directional solidification (DS) processing of castings, the temperature distribution, the interface between liquid and solid zone, thermal gradient in the mushy (pasty) zone and solidification rates are very important factors to analyze the microstructure and the casting quality. These variables affect the orientation and size of dendrites, shapes of grains, solute segregation and deleterious casting defects, such as microporosity, freckles and segregation channels. In order to avoid the casting defects, the temperature distribution and thermal gradients of castings during directional solidification must be strictly controlled. However, the structure of furnaces used for directional solidification is often complex. Heat transfer and temperature distribution within a casting not only depend on furnace temperature but also on the thermal properties of the casting alloy, crucibles, retorts etc. A more accurate heat transfer analysis."

Jan 1, 2001

By Youngkook Lee

The precipitation kinetics of NbC in ferrite matrix of the Nb microalloyed steel was investigated experimentally and numerically. The mole fractions of NbC precipitates formed at different isothermal temperatures were measured as a function of holding time by electrical resistivity test and were compared with both a mathematical model based on time-dependent nucleation and growth rates and the hardness. There is a good match among the calculated and measured precipitation kinetics of NbC and the hardness. The isothermal precipitation-temperature-time diagram of NbC in ferrite matrix of the Nb microalloyed steel was newly generated. Keywords: Precipitation, Carbide, Ferrite, Nucleation, Growth, etc

Jan 1, 2003

By Peter K. Liaw, Niann-i Yu, Wei Zhao

"For a plain-weave Nicalon ™ fiber fabric-reinforced silicon carbide (SiC) ceramic composite, little attentation has been paid to the effect of fabric stacking sequence on its mechanical behavior. In this paper, fiber-fabric stacking sequence effects on the elastic stress distributions, ceramic matrix-cracking stress, effective elastic moduli, and flexural strengths of laminated flexural test bars are quantified. A quantification model is established based on the combination of classical laminated plate theories and a fiber undulation model developed by Chou et al. A FORTRAN program is compiled to implement the modeling, which can be run in a SUN work station. The mechanical performance of a continuous fiber-reinforced ceramic-matrix composite (CFCC) with a [0/30/60] lay-up was analyzed and predicted. The variation in the fiber-fabric stacking sequence can vary the elastic stress distributions along the thickness direction of specimens, magnitude of ceramic matrix-cracking stress, effective elastic moduli of the laminate, and crack initiation sites as well as fracture modes. Moreover, all these factors contribute to scatter in flexural strengths of the CFCC.I. IntroductionWith enhanced fracture toughness and the ability of non-catastrophic (graceful) failure behavior, CFCCs are currently under evaluation for high-temperature structural applications in heat exchangers, combustors, hot-gas filters, boilers components, first walls and high-heat flux surfaces gas turbines, space vehicles and nuclear reactors.[1-8] Extensive applications of CFCCs by industry are still hampered by an insufficient understanding of the mechanical behavior, and sometimes, the lack of a well-developed and widely accepted design philosophy, in addition to the high-production costs."

Jan 1, 1998

By José Carlos D?Abreu

The Tecnored process is a new ironmaking technology, developed on a unique approach that combined empirical and theoretical knowledge backed by extensive tests carried out in a dedicated pilot-plant and with close support of universities and research centers. Campaigns in the pilot-plant focused on operate different reactors of different sizes, including a full size slice of the industrial furnace. This approach provided actual conditions to develop the main features of the process such as the internal dimensions, raceway pattern, thermal and gaseous profiles, etc, besides provide reliable data to feed and calibrate a specific mathematical process modeling. This paper presents the first computer model used by the Tecnored technical staff, focusing the behavior of a self reducing agglomerate in the upper shaft of the furnace (zone of solid state reduction). Some results of this model are given and discussed.

Jan 1, 2006

By Z. Sun, H. A. Davies

"Current understanding of the mechanisms by which glassy and crystalline thin ribbons are formed in high speed continuous casting processes is considered. A computer model of the combined heat and momentum transfer during melt spinning has been developed. The influence of roll velocity and of heat transfer coefficient (between the melt and the roll) on the temperature and velocity distributions within the melt puddle is analysed and the thickness of the extracted ribbon computed. The relative importance of heat and momentum transfer under different conditions is assessed and differences between the casting of crystalline and amorphous strip highlighted.IntroductionHigh speed continuous casting of thin metallic ribbon and strip is currently of considerable interest both to metal processers and to those studying process mechanisms. The practical interest arises both from the potential economic benefits to be gained from a shorter and more energy-efficient production route and from the ability to obtain extended and uniform thin strip having a metastable microcrystalline or amorphous structure with enhanced or unique properties. The latter arise from the rapid solidification associated with the cooling of very thin sections of melt brought into intimate thermal contact with one or two rapidly moving heat sinks.The principal processes for casting thin strip include free jet, chill-block melt-spinning (GBMS) (1), melt drag (MD) (2), planar flow casting (PFG) (3) and twin-roll casting (TRG) (4). For the first three of these, all essentially variants of melt-spinning, melt flows through a nozzle onto the circumferential surface of a rapidly rotating roll, whereas for TRG the melt passes into the nip between two contra-rotating rolls. We shall be concerned in this paper with the single-roll melt spinning processes only. For these, a puddle is established where the melt contacts the roll surface and the length of this puddle l is a function of the process conditions, notably the circumferential velocity of the roll Us and the volumetric flow rate of the melt Q. The contact time between any point on the roll surface and this puddle, or residence time eR(= l /Us) determines the thickness of ribbon t extracted from the puddle. This thickness, in turn, partly governs the cooling rate T and the amount of undercooling in the melt and thus the microstructure of the solidified ribbon."

Jan 1, 1986

By E. M. Weenink

One of the new direct smelting technologies for the production of lead from sulfide concentrates that has reached the commercial stage is the Outokumpu lead flash/electric furnace ?smelting process. Using data from pilot plant test work, energy and mass balances for a commercial plant were initially calculated by hand. To optimize process conditions, a large number of such balances had to be generated and a computer program using Lotus 123 was developed which provided an excellent opportunity for computer simulation. Operating parameters can be calculated by iteration using input values for feed composition, feed rate, smelting temperature, and lead content of the slag'" The output is presented by means of various views of the appropriate process steps, or in 68 different graphs.

Jan 1, 1990

By Ian Masters

Rotary furnaces are widely used throughout the metals industry. These furnaces vary in size and geometry, but are fundamentally the same from a thermodynamic viewpoint. A generic method is proposed that can be used to model all furnaces of this type, provided that the correct material and process parameters are known. Various approaches have been attempted in the past based on a continuum (FEA or CFD) approach. However, the complex fluidlsolid interactions present in a rotary vessel are not easily solved using these methods, which work best where the material boundaries are well defined. In this paper a lumped parameter model is proposed. Variations within a section of the model are ignored, but to ensure thermodynamic correctness, the heat transfer between sections is carefully considered. For example, it is reasonable to assume that the whole of the melt pool is at the same temperature, due to rotary mixing. This may then be modeled with a single set of parameters, and the detail is contained in obtaining the correct heat transfer mechanisms from the rest of the furnace.

Jan 1, 2002

By J. R. Odekirk

The nature of mineral distributions and locking characteristics in mill products are important factors in understanding mill performance. Such data are obtained by microscopic point counting methods. Reduction 'of point-count data from volume to weight percentages, and reduction of data for each size fraction back to a head sample requires lengthy hand calculations. The use of computer processing for such data reduction results in obtaining information on a realistic time basis. An example of computer processed point-count data is presented.

Jan 1, 1981

By Robert C. Laudon

Spectral reflectance data for 335 minerals, including 228 minimum-maximum combinations for anisotropic minerals giving a total of 563 data sets, have been collected from the literature and combined into a single database. Quantitative color values for x, y, Y, Ad , and Pe referred to ICI standard i11uminant C have been calculated from the spectral reflectance data and are included in the database. The programs plot spectral reflectance curves together with all quantitative color data for each mineral in the database. The plots and data can be directed to a dot-matrix printer such that a databook of quantitative color and spectral reflectance having one mineral per page can be generated for the ore microscopy laboratory. In addition, by sorting the database and grouping the minerals, groups or individual minerals can be plotted on the chromaticity diagram, and this plot can also be sent to a dot-matrix printer. The programs are written in compiled BASICA for an IBM-PC with graphics capabilities and at least 128KB random access memory (RAM). The databases are accessible either through the BASIC programs or through any commercial database system capable of loading and writing to an ASCII format sequential file. The programs and database are available by sending a blank diskette and self addressed, stamped envelope to the authors.

Jan 1, 1987

By Liya Bochkareva, David Hui, Sergey Eremeev, Maksim Kireitseu, Igor Nedavniy

The principal goal of the present paper is to demonstrate an application of modern software engineering tools for modeling virtual reality and molecular dynamics of novel nanocomposites. The main technical components of presented system are I) software and nanoengineering tools for modeling of virtual reality, molecular dynamic and 30 video images of novel diamcindscontaining nanocomposites and 2) Problem tracking system to be used during modeling of virtual reality. A computational scheme and software, which utilizes neural networks and/or Microsoft. Net technique was developed to predict properties of nano-structured materials and optimization and control of nano-devices. Developed software and IT nanoengineering tools can be used by both industrial and private single users. For commercial companies proposed technology may provide better cost-effective alternative to the existing solutions for nanoengineering and modeling their virtual realit. For private users (students, professors, and engineers) proposed technology and IT tools can provide simple and cost-effective solution for nanoengineering while studying, exploring virtual reality and modeling novel nanostructures and its properties leading to an innovation or a discovery. Because of using novel software and methodologies, users can easily operate proposed technologies by available computers and operating systems (Pentium III or IV). In addition, users can upgrade it by their own self-written models, if necessary. The proposed technologies could replace or be used along with technologies for modeling such as 30 max studio and others.

Jan 1, 2004