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By J. Abrahams, A. Nesbitt

Over the past half-century, researchers have commented on the complexities of ion-exchange processes, but have been forced to use gross assumptions to simplify the associated mathematics sufficiently for mathematical models to be of practical use, given the available computational power. This paper reviews the development of increasingly complex models as computational power has increased over the past half-century, from the direct application of Fick's Law in 1947, through to today's models requiring finiteelement methods. The assumptions required for and the associated limitations of the various models are presented and the associated computational complexities are discussed. A case study is presented in which a continuous loss of capacity in an acid resin was observed over about sixty cycles of loading and elution. Resin poisoning does not explain this observation. This paper presents the capacity loss data, speculates on possible causes of the phenomenon, discusses why conventional kinetic and equilibrium mechanisms cannot explain it and concludes that the need to develop a more rigorous model is apparent. The significance of this observation is that standard tests done for a new resin application could significantly overestimate the commercial performance of the resin concerned, highlighting the importance of computer simulation in this field of process engineering.

Jan 1, 2005

By Ricardo Burdisso, Rahul Kadam, Kyle Schwartz, Marty Johnson

Occupational exposure to hand transmitted vibration (HTV) arises from the hand held powered tools extensively used in the mining and construction industry such as rock drills, chipping hammers, chain saws etc. Regular exposure to HTV is the major cause of a range of permanent injuries to human hands and arms which are commonly referred to as hand-arm vibration syndrome (HAVS). In addition to this, the percussive tools generate overall sound power levels in excess of 110dBA in most cases. Such a high sound power level greatly exceeds the maximum permissible exposure limit (PEL) of organizations such as National Institute for Occupational Safety and Health (NIOSH) and the Occupational Safety and Health Administration (OSHA). Long term occupational exposure to this noise has been diagnosed as the main reason for permanent hearing loss in the operators. It is therefore important to develop an understanding of the mechanisms which lead to these high vibration and sound levels and in order to do this a detailed computational model of a pneumatic chipping hammer has been made. This paper presents a nonlinear computational model of a pneumatic chipping hammer. In order to better understand the dynamics of the chipping hammer, the hammer was subdivided into components that are shown in figure 1 (a) (based on a chipping hammer manufactured by Atlas-Copco). The hammer mainly consisted of a center body, a moving piston and a chisel. Compressed air is used to drive the piston inside of a cylinder and on the downward stroke this piston impacts the chisel to create the hammer effect. The machine has one pneumatic valve and this valve regulates the air supply either to the upper chamber or to the lower chamber. The valve changes according to the relative pressures in the two chambers and the supply pressure. There are also twelve different exhaust ports at two positions along the cylinder labeled upper ports and lower ports. As the piston moves the ports can be closed or open (allowing exhaust). Fundamentally, the computational model was made up of two different sub-models, a fluid model and a structural dynamic model as shown in Figure 3 (a) and (b) respectively. The first sub-model takes into consideration the fluid dynamics of the machine since the hammer is driven by compressed air. Equations for the mass flow rate though bleed orifices (assuming an isentropic process) 1 is used to determine the mass flow into and out of the upper and lower chambers. From this the pressures in the two chambers and consequently the forcing on the piston can be calculated. The second sub-model deals with modeling the structural [ ]

Jan 6, 2006

By A Liu, T Ren

Gas explosion in underground coal workings can pose a serious threat to the safety of mine workers and the entire mine operations. Gas explosion is a very complex thermal-chain reaction in a confined underground environment. Based on combustion and explosion theory, three dimensional (3D) computational models were developed to simulate mine gas explosion flame and overpressure wave propagation in a single entry gateroad in underground coalmines. Six different explosion scenarios were modelled and compared with large scale experimental results and AutoReaGas simulations. Model validations show that the use of shear-stress transport (SST) k-? model together with eddy-dissipation model (EDM) produces good agreement with both experimental and AutoReagas simulation results. Modelling results demonstrated that the changes of temperature versus time can be divided into four stages, ie the initial condition stage, and periods of warm-up, active burning, and burnt-out. Assuming a limited volume of methane is involved in the explosion, the maximum temperature decreases as the distance increases from the explosion point, with the highest temperature reaching about 2460 K. Modelling results show that the evolution of the explosion flame shape experiences four typical stages, ie spherical flame, finger-shape flame, flame with the skirt touching the side walls (ribs) and tulip flame, which are similar to the pattern of a duct explosion. The pressure in the gateroad remains the same as the initial value before the arrival of the explosion wave and then increases rapidly to the maximum value. Modelling results from this study will be used for the design of explosion arresting devices and mine seals in underground coalmines.CITATION:Liu, A and Ren, T, 2017. Computational simulation of gas explosion and its propagation in single entry gateroad, in Proceedings Australian Mine Vent Conference 2017, pp 181–188 (The Australasian Institute of Mining and Metallurgy: Melbourne).

Aug 28, 2017

By F. Michael Hosking

Modeling of a furnace brazing process is described. The computational tools predict the thermal response of loaded hardware in a hydrogen brazing furnace to programmed furnace profiles. Experiments were conducted to validate the model and resolve computational uncertainties. The results from selected furnace simulations and measured thermal events were compared. Critical boundary conditions that affect materials and processing response to the furnace environment were determined. "Global" and local issues (i.e., at the furnace/hardware and joint levels, respectively) are discussed. The ability to accurately simulate and control furnace conditions is examined.

Jan 1, 1998

By A. J. Paul, K. O. Yu

"Today, foundries are moving towards the use of models and design tools to gain a competitive advantage in producing castings of high desired quality. This leads to a growing alliance between foundries, software developers and researchers seeking to model, visualize and understand the phenomena taking place during the casting process. In addition, there is a need to develop affordable techniques to produce parts in small lot sizes. This leads to the development of a Flexible Manufacturing System consisting of: (1) up-front computer-aided engineering; (2) computer integrated proto typing with solid freeform fabrication; and (3) fabrication of the actual mold and related equipment to cast the part.This paper discusses some of the developments that are taking place today in the areas of modeling the physical phenomena during the casting process as well as towards developing a Flexible Manufacturing System for producing cast parts. Areas that require most work involve prediction of defects and mechanical properties using simplified analyses. In addition, electronic data sharing for collaborative engineering between geographically dispersed team members is also discussed. Case studies are presented showing successes as well as failures.IntroductionCasting, one of the oldest forms of metalworking, has recently seen a flurry of developments in the area of solidification modeling. These developments have come about after the realization that, in order to stay competitive, foundries need to reduce their scrap rate and production costs, and increase casting quality. Even though this is not new knowledge for foundry engineers, the tools to help them achieve this goal are just being developed and put in place for use by foundries. Several state-of-the-art software packages are currently available to analyze the solidification behavior in complex shaped castings. These packages make use of several different approaches for solving the various problems associated with casting processes. The overall architecture of a comprehensive solidification modeling system is shown in Figure 1."

Jan 1, 1994

By Jie E. Zhou, Yu U. Wang

"Development of crystallographic texture in polycrystals during templated grain growth process is studied by phase field modeling and computer simulation. To characterize the grain texture development, X-ray diffraction peak intensities are computed for the evolving grain structures as simulated by the phase field model, based on which Lotgering factor is further calculated as a quantitative measurement of uniaxial texturing. While the phase field modeling allows direct comparison between simulated grain structures and experimental microscopy observations, the computational diffraction allows convenient correlation between computer simulation and experimental X-ray diffraction characterization. The latter feature is especially desirable, since microscopy experiments normally require more efforts than X-ray diffraction, and diffraction is usually the preferred choice for material characterization.IntroductionThe properties of individual grains in polycrystals are generally anisotropic, while untextured polycrystalline materials with random grain orientations exhibit isotropic macroscopic properties that are independent of directions. In order to achieve anisotropic response in polycrystals, crystallographic texturing of grains is required [1]. Texture refers to the collective distribution of grain orientations towards preferred orientation in a polycrystal. To develop texture, special processing routes are needed, such as templated grain growth (TGG) for uniaxial texture [2]. TGG has been shown to provide uniaxial texture in wide variety of materials. For example, [001]-textured ferroelectric polycrystalline ceramics have been fabricated by TGG process, which exhibit enhanced piezoelectric properties [3]. Such highly textured polycrystalline materials offer better cost-performance ratio than single crystals. Thus, texture development in polycrystals is of technological importance for material applications.In this computational work, grain texture development in polycrystals during TGG process is studied. Grain structure evolution is simulated by phase field model, X-ray diffraction peak intensities for the evolving grain structures are computed, and Lotgering factor is calculated to quantitatively measure the development of uniaxial texturing. The phase field modeling allows direct comparison between simulated grain structures and experimental microscopy observations using imaging techniques such as scanning electron microscopy or optical microscopy. The computational diffraction allows convenient correlation between computer simulation and experimental X-ray diffraction characterization. The latter feature is especially desirable, because microscopy experiments normally require more efforts than X-ray diffraction, thus diffraction is usually the preferred choice for material characterization."

Jan 1, 2014

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 H. W. Smith, N. Ichiyen

A convenient method for the calculation of metallurgical balances, based on statistical treatment of all available data, is presented. An error analysis is included. Examples show the advantages of the method, and also that such balances are less precise than might be supposed.

Jan 1, 1973

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

Due to highly competitive international coal markets, Stockton mine is bound to produce very high quality coals consistently if it is to maintain and expand its market share. The nature of the deposit is such that coals from various source pits are blended in differing proportions to meet the various coal quality specifications of the customer. The complexity arises due to quality variation within the seam both horizontally and vertically and the fact that up to six different products with completely different quality specifications may have to be produced. With increasing demand for this rare product and with CoalCorp eager to meet this demand comes the requirement for computer methods to handle this highly complex problem of both modelling and scheduling.

Jan 1, 1989

By Paul E. Dorr, Kenneth P. Pavlich

This paper covers the practical aspects of economic analysis of mineral ventures and the application of a publicly available computer program. The paper touches briefly on the time value of money concepts and the phases of project evaluation. The most comprehensive port ion of the paper deal s with the requirements for economic evaluation, including capital expenditure categories, operating expenses, required geological and engineering data, and tax considerations. Highlights of the 1981 and 1982 tax laws are covered. A case study using the MINECO computer program will be used to illustrate the economic evaluation concepts developed. Guidelines and goals of sensitivity analysis and Monte Carlo simulation will be discussed and demonstrated on the MINECO example. The MINECO software system will be displayed as an example of a "user-friendly", interactive, and flexible computer tool available to the mining professional today.

Jan 1, 1983

A microcomputer based expert system is presented for fast and cheap mineral identification. Because of the increasing pipularityof and interest for minerals and precious stones (selling, hobby polishing, collecting, teaching etc.) we pointedly deal with gemstone identification. In most cases only some fundamental data are needed to identify a mineral sample (or precious stone) if we know how to use these data. The important, characterizing data of the well-known minerals are stored in the data-base of our program-system. The visible and measured optical and physical properties of the sample are compared adequately with the stored data to get the result, the name of the examined mineral. The system works in a simple, friendly way - asking questions, understanding answers - so that no special computer knowledge is necessary to use it, only the answers should be typed in. The main advantage of the system is that only relatively simple and fast measure-ments are required. Based on these measurements a fast, reliable identification is processed on a cheap com-puter running a sophisticated program-system. The MINTEST system handles even those cases when the tested mineral cannot be determined based on the given input data.

Jan 1, 1985

By Daniel Hajduk

Efficiency of back up rolls depends mostly on two parameters – length of campaign and dressing amount after the campaign. The longer the campaign (in terms of rolled tones) is, the higher the dressing amount. To solve this task properly it is necessary to know the distribution of accumulated damage in the working layer of the roll caused by previous campaigns and by loads (separating force and bending) during present campaign respecting changing conditions of material properties (hardness) through radius of the roll. To find an optimum dressing amount an algorithm has been developed and specialized computer program will be presented, that takes real measured loads during the backup roll campaign, calculates fatigue damage in the roll and suggests relevant dressing amount. This can help to prolong service life of rolls, minimize the risk of spalls and reach maximum efficiency in terms of rolled tones/km per roll.

Jul 30, 2018

By B. M. Das, V. J. Hucka, J. H. Tu

Subsidence can cause serious damage to surface installations such as railroads, highways, pipelines, buildings and other facilities over a period of many years. Although total elimination of the effects of subsidence is difficult, the damage can be minimized through a systematic analysis. An example of such a study for reducing the effects of subsidence on pipelines is presented in this paper. Subsidence-induced stresses on a pipeline over some coal mining properties in Utah have been analyzed using a computer with graphics capabilities. The results are useful in predicting the extent of damages due to mining subsidence. In view of the gradual replacement of room-and-pillar mining by longwall with caving, this sort of analysis will become more and more important. In the next phase of this study the predicted results will be compared with the permissible stress levels on pipelines over actual subsided areas in an actual case.

Jan 1, 1989

By Neil T. Davie, Thomas K. Blanchat, Thomas C. Togami, Joe R. Weatherby, Dale S. Preece, Robert A. Benham, James J. Calderone

"Geotechnical structures ,such as underground bunkers, tunnels, and building foundations aresubjected to stress fields produced by..the gravity load on the structure and/or any overlyingstrata. These stress fields may be.. reproduced on a scaled model of the structure byproportionally increasing the gravity field through the use of a centrifuge. This technology canthen be used to assess the vulnerability of various geotechnical structures to explosive loading.Applications of this technology include assessing the effectiveness of earth penetrating weapons,evaluating the vulnerability of various structures, counter-terrorism, and model validation. Thisdocument describes the development of expertise in scale model explosive testing ongeotechnical structures using Sandia’s large scale centrifuge facility. This study focused onburied structures such as hardened storage bunkers or tunnels. Data from this study was used toevaluate the predictive capabilities oft existing hydrocodes and structural dynamics codesdeveloped at Sandia National Laboratories (such as Pronto/SPH, Pronto/CTH, and ALEGRA)."

Jan 1, 1998

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 Rogerio Castejón

The evolution on the computer in the last 10 years have caused a big change on the way the mining companies are doing exploration. The following factors have contributed to that change: the downgrade of computers and software cost associated with the “usability” (easy of use) of the present systems (remember the old DOS and UNIX systems). New systems are more focused on the users rather than on the experts in applications, meaning that the geologist must understand geology and not operational system, programming, etc. Market conditions requires exploration to be faster and more intelligent than in the “old” times, and companies are always demanding quicker answers from their geologist group as well as lower exploration budgets. Exploration teams must be more effective and efficient. In this sense, the only way to achieve those requirements is to use the proper techniques, methods and tools on the diverse stages of exploration. Its necessary to consider that the costs of data acquisition increase, almost exponentially, through the stages of exploration, from grass roots to advanced stage.

Aug 25, 2002