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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

By D. Lambert

Process modeling for large deformation metal forming processes has been developed into a very successful tool in commercial applications during the last two decades. DEFOR.MTM is a well-known metal forming process simulation program used by many industrial and research institutions. Recent developments include the ability to model multiple deforming body behavior during multi-pass pack rolling and microstructure prediction during multi-pass shape rolling. This paper summarizes how DEFOR.MTM can be applied to a number of rolling processes and briefly describes preliminary work carried out using the ALE technique. Keywords: Simulation, Rolling, Pack, Shape, Microstructure, FEM, ALE, Tantalum

Jan 1, 2003

By James W. Evans, Dong Xu, Jr. Jones

A physical (water) model based on particle image velocimetry (PIV) has been constructed at UC Berkeley. The PIV technique enables the use of water modeling to quantitatively characterize the fluid flow behavior in the mold during the continuous casting of steel, in a whole field sense, i.e., section by section. A method to obtain e\e time-averagevelocity (TA V) vector maps was developed by averaging 40 instant aneous vectc -r plots revealing the time average features of the flow. Another benefit of TAV vector maps is the ability to compare with present mathematical models, which are mostly based on the time-average technique. Bifurcated submerged entry nozzles (SEN) with ports inclined at various angles to the horizontal were used in the modeling to study their effects on the flow inside the caster. Argon was also introduced into the model to simulate the influence of argon injection on the metal delivery from the tundish into the caster. The bubble sizes and distribution (in specific sections) of argon were characterized, at the same time, by the imaging system of the PIV. This will allow for validation of current mathematical models that were developed to simulate argon injection in casters. Comparison with results calculated by the commercial finite element package FIDAP is also presented.

Jan 1, 1998

By Rodney J. Ishak

The reduction of Mn3O4 to MnO has been investigated in a thermobalance apparatus, The charge was composed of manganese ore (decomposed by heating/calcination or pre-reduction to mainly Mn3O4) and coke. The material was charged to a crucible, which was suspended in the balance. CO-gas was distributed through a grid in the bottom of the crucible. Two sizes of ores were used; 2.4-4.8 mm and 6,7-9.5 mm. Coke particles were in the size range 4.8-6.7 mm. Experiments were conducted in the 900-1100°C temperature range. The composition of the product gas was monitored continuously. External mass transport between bulk gas and particle surface does not seem to limit the rate of reduction. Assuming that both diffusion through product layer and chemical reaction at the interface between MnO and Mn)04 are rate controlling, the data was tried both in a shrinking core model and in a grain model using regression. The grain model gives the best physical description of the process, because the reactant is in fact a porous medium. With this model the effective diffusivity was calculated to be in the 1.5-6.10.5 m2/s range. The pore size was mainly between 0.1 and 10 um,

Jan 1, 2003

By Wayne Bell, Matthew Andriese, Shuqian Xie, Jiann-Yang Hwang, Zhiwei Peng

"Pyrolyzed carbons are generally known as good microwave absorbers and their dielectric properties still remain to be fully explored. In the present study the dielectric properties and dielectric polarization-relaxation phenomenon of a typical activated carbon was investigated. The experimental results indicate the complex permittivity is highly dependent on temperature and frequency. The decrease of permittivity with increasing temperature from room temperature to ~100 °C is probably ascribed to the release of the water vapor adsorbed on the surface of activated carbon, and the variations of permittivity with temperatures between 100 °C and 450 °C in the frequency range of 300 MHz to 3000 MHz are mainly attributed to the decreased relaxation time of dielectric polarization.IntroductionPyrolyzed carbons have been identified as excellent microwave absorbers owing to their high dielectric and electrical loss under microwave irradiations. Among them, activated carbon continues to attract more and more attention from researchers. Due to its special physical properties, the production, modification and regeneration of activated carbon with the assistance of microwave have been widely studied over the last few decades [1-6]. However, only few attempts have been applied to explore the dielectric properties of such materials due to the complexity and variability of their organic precursors and activation processes [7,8]. In order to shed a light on this problem, a typical sample, Norit® A Supra USP powdered activated carbon, was adopted to perform dielectric characterization, which may provide useful information for its wide application in the fields of purification, energy (hydrogen) storage and so on."

Jan 1, 2011

By Tom W. Gonzales

Magma Metals Company commissioned a 3000 tpd Outokumpu flash smelting furnace in July 1988. Through September 1992 the PSP has smelted a first campaign record 4.1 million tons of concentrate. This paper discusses modifications made to the original process equipment to overcome design flaws as well as future design changes currently under consideration.

Jan 1, 1993

A study was undertaken to remove the Se from waste solutions using a raw form of the biomass called Iota Chips derived from the seaweed, Eucheuma spinosum. Removal of Se from solutions was investigated as a function of time, pH, conc. of Se in solution (0.1 to 100 ppm) and lota Chips to liquid ratios of 10-2 to 10-5. For solutions containing initial conc. of 0.1 ppm Se, with the addition of Iota Chips at a solid to liquid ratio of 10-3, the Se conc. decreased to 0.03 ppm in about 3 hours. Iota Chips absorption capacity to the Se and its application to the treatment of the metallurgical processing effluents are discussed.

Jan 1, 1992

By D. J. Chaiko

Certain radionuclide ions (e.g., TcO4) exhibit unusually strong Affinities toward the polymer-rich phase in aqueous biphase systems generated by combinations of salt solutions with polymers such as poly(ethylene glycol) (PEG) and poly(propylene glycol) (PPG). Thus, aqueous. polymer ,phases could potentially be used to selectively extract these ions during pretreatment of radioactive tank wastes at Hanford. To help develop a fundamental understanding of the interactions between various ions and polymers in aqueous solution, interaction enthalpies between sodium -perrhenate and a random copolymer of PEG and PPG (UCON-50) were measured by microcalorimetric titration. An entropy compensation effect was observed in this system in which changes in enthalpic interactions were balanced by entropy changes such that the interaction free energy remained constant and approximately equal to zero.

Jan 1, 1999

By Susanne Pignolet-Brandom

QEM*SEM is an automated scanning electron microscope/computer system that characterizes samples with regard to mineral modal abundances, mineral grain and particle sizes, mineral associations, and particle surface areas. Additional information, based on the classification of particles according to the area percentage of a mineral of interest, can be obtained for samples of particulates. QEM*SEM is capable of analyzing a wide variety of materials although it was originally developed for applications to the minerals industry.

Jan 1, 1988

By S. Shrivastava

A structure based model has been developed for the prediction of viscosities of K20-B20, melts. These melts exhibit an anomalous behavior of viscosity with continuous variation in B203 content. A maximum and a minimum are observed at low temperatures, which disappear on raising the temperature above the softening range. The addition of K20 to the borate melts causes two opposing phenomena: (1) depolymerization effects and the related breakdown of network structure resulting in the formation of singly bonded oxygens, which weakens the structure and hence causes a decreases in viscosity, and (2) the formation of four coordinated borons (BO4 tetrahedra) which strengthen the structure leading to an increase in the viscosity. The structural changes taking place in these melts on varying the temperature and the alkali content have been reviewed and are incorporated in developing this model. The predicted values are in excellent agreement with the experimental values over the whole temperature and composition range.

Jan 1, 1992

By S. Illendula, B. Q. Li, R. A. Mirshams

"An integrated mathematical model is developed to represent the thermomechanical behavior of the materials and microstructure evolution during metal forging. The model development is based on the finite element solution of the thermoviscoplastic deformation of metals coupled with the internal state variable model describing the microstructure evolution involving work hardening, recovery, recrystallization and grain size distribution. The procedures for the integration of the microstructure model into the macro finite element model are described. Computed results for both macro and micro phenomena during metal forging, such thermomechanical deformation such as velocity field and effective strain rate and materials characteristics such as distribution of grain size and recrystallization volume fraction, are presented.1. IntroductionThermomechanical behavior and material microstructural evolution are two critical, interrelated aspects associated with metal workpiece undergoing large plastic deformations such as encountered in forging processes. In much of the modeling work up to date, these two aspects have been addressed separately. Die designs and forging processes are investigated using finite element based thermomechanical models while material dynamics during forging is studied, more often than not, as a separate subject. For many industrial applications, especially those involving novel, light and high strength materials, it is critical to combine these two aspects into a single, integrated model so that materials dynamics and thermomechanical deformation during forging processes can be considered simultaneously [1], thereby providing required information for intelligent process design and optimal process control."

Jan 1, 1998

By J. L. Jambor

Previous crystal-structure determination of magnesian annabergite (Ni,MgMAsO4)2 8H2O indicated that ordering of Ni and Mg occurs in non-equivalent octahedral sites; such ordering supports the possibility of miscibility gaps on the Ni3(AsO4)2 8H2O -MgiAs04)2 8H2O. (annabergite-hornesite) join. In a predecessor study based on analyses of natural specimens, it was proposed that solid solution is incomplete both for annabergite-hornesite and annabergite-erythrite [Co, (AsO4)2 8H2O]. In the current study, syntheses by use of a slow-addition technique and aging of the precipitates indicated that the annabergite-erythrite solid solution is complete, and that no miscibility gap is present on the annabergite-hornesite join to at least 58 mol % Mg. Thus, interpretation of the compositions of these phases in oxidized mill-tailings impoundments can be done with the normal precautions for homogeneity, and without the added concern of the possible presence of miscibility gaps in the ternary system.

Jan 1, 1995

By R. F. Hammen

Heavy metal contamination of water is a problem of immense national and international proportions. However, effective cleanup is complicated both by the toxicity and the low concentrations of metals in wastewater streams. Using high performance chelation chromatography, the solid phase extraction and purification of extremely dilute metals from water was highly effective. The process is based on selective displacement of metals from a chromatographic column containing a chelating resin. The resin is characterized by extremely efficient adsorption kinetics which allow rapid and complete removal of the metals.

Jan 1, 1993

By Yuanbo Zhang, Zhaokun Tang, Mingjun Rao, Guanghui Li

The ballability of hematite ore with addition of a certain amount of pulverized anthracite and the induration features of anthracite–containing hematite pellets were studied. The results indicate that adding a certain proportion of anthracite can improve the quality of green pellets as well as the roasting performance of roasted pellets. The suitable mass dosage of anthracite is 1.0%–1.5%. Under the conditions of roasting temperature 1280 oC–1350 oC and roasting time 15 min–20 min, the compressive strength of roasted pellets is found to be more than 2500 N/P. Compared with hematite pellets in the absence of anthracite, the proper induration temperature is diminished by 20 oC, whereas optimal induration temperature range expands by 50 oC, and induration time is shortened by 5 min–10 min. Adding anthracite is an effective measure to improve the pelletization of hematite.

Jan 1, 2015

By S. Viswanathan, A. S. Sabau

"Dimensional changes between a pattern die and its corresponding investment casting part occur as a result of complex phenomena such as thermal expansion/contraction and hot deformation (elastic, plastic, and creep) during the processing of the pattern material (wax), mold material (shell) and solidifying alloy. Determining the pattern tooling dimensions is crucial to the dimensional control of the investment casting process. To date, computational methodologies have not been applied to the prediction of dimensional changes in investment castings.This paper deals with the evaluation of wax pattern dimensions, which is one important factor in determining pattern tooling dimensions in investment casting. Cerita 29-51, an industrial wax, is considered in this study. The wax pattern dimensions are determined by considering its thermo physical and thermomechanical properties, restraint of geometrical features by the metal die, and process parameters such as dwell time, platen temperature, injection pressure, and injection temperature.IntroductionThe investment casting process involves making a disposable wax pattern by injecting wax into a metal mold, building a ceramic shell mold around the wax pattern by the application of a series of ceramic coatings to the wax pattern, dewaxing the ceramic shell mold, and casting the alloy into the shell mold. Dimensional changes between the pattern tooling and its corresponding cast part occur as a result of thermal expansion, shrinkage, hot deformation, and creep of the pattern .material (wax), mold material (shell), and solidifying alloy during the processing [1]."

Jan 1, 2001

By Kazuki Morita

A new route to produce solar grade silicon (SOG-Si 6N) from metallurgical grade (MG-Si 98%) has been developed in Japan, which may satisfy the increasing demand for solar cells in the near future. Since some elements such as P and B have very large segregation coefficients, solidification refining is not effective for their removal and costly processes, such as electron beam vacuum melting and oxidation plasma refining, are required. According to our previous results which showed the effectiveness of leaching procedure with Ca addition for Fe and Ti removal, possibility of P and B removal by acid leaching was focused expecting that their affinities for Ca in molten silicon might be considerable. Hence, the effects of Ca addition on the thennodynamic properties of P and B in molten silicon alloys have been investigated for overall control and optimization of the SOG-Si production process in the present study. The interaction parameters between Ca and P, and Ca and B were determined by chemical equilibration techniques at 1723 K. Although the interaction parameter between Ca and B was slightly negative, that between Ca and P showed a large negative value. Also, the results for the leaching test with various amount of Ca addition revealed that the removal fractions of both elements, especially P, drastically increased with increase in the Ca content, which showed very good agreement with the prediction from the interaction parameters derived in the present work. The present results suggest that the preliminary leaching procedure can reduce the processing time and energy for SOG-Si refining. Keywords: Silicon, Solar Cell, Refining, Acid Leaching, Thennodynamics. Interaction, Phosphorus, Boron, Calcium

Jan 1, 2003

By Nourreddine Menad

Plastic materials have been associated with electric and electronic applications since the early days of the electrical industry. Plastics can amount to 30 percents of the scrap mass. Generally, they are treated with flame retardants such as halogenated ones and they can result in different toxic chemical compounds. These plastics can be used as combustibles in the recovery of copper and precious metals. However, during their combustion, halogenated flame retardants can produce dibenzo-p-dioxins and dibenzo-furans. The estimated thermodynamic data of several organic compounds resulting from combustion of electric and electronic scrap, have been used in conjunction with the program HSC to calculate the conditions for dioxin and furan formation. The results show that the formation of the dioxins is dependent on the quantities of carbon, hydrogen, chlorine and oxygen reacting in a given system, as well as on parameters such as temperature and pressure.

Jan 1, 1998

By Alexey T. Kovalev, Irina A. Khabarova, Valentine A. Chanturiya, Igor Zh. Bunin, Elizaveta V. Koporulina

"The paper presents new theoretical and experimental results about mechanisms of disintegration of mineral complexes and structural transformations of the sulfide surface under high-power nanosecond electromagnetic pulses (HPEMP). The heated gas outflow from nanosecond breakdown channels of sulfide minerals under HPEMP is considered. It is shown that the gas outflow from channels can be an additional destructive factor in the processes of the electric pulse discharge disintegration of mineral complexes. It is shown that the effect of HPEMP changes chemical surface composition and, respectively, technological properties of pyrrhotite and pentlandite. Morphology and elementary composition of new micro- and nanoformations on mineral surface of pentlandite and pyrrhotite have been investigated using up-to-date methods of SEM/EDX and Scanning Probe Microscopy. Preliminary electropulse effect on mineral products before flotation allows producing optimal conditions for flotation separation of pentlandite and pyrrhotite owing to forming the new nanophases and defects on the surface of sulfides.IntroductionThe effectiveness of High-Power Nanosecond Pulses in the disintegration and liberation of fine disseminated mineral complexes and the recovery of micro- and nanoparticles of precious metals from refractory ores was demonstrated in [1, 2]. Possible mechanisms of selective disintegration were considered in [1-3]. It has been shown both theoretically and experimentally that electric breakdowns can play an important role in the nanosecond pulsed treatment of milled minerals (e.g., semiconductor sulfides and quartz with particle sizes of 100 µm to 2-3 mm) that are carriers of finely disseminated gold and other valuable components. Electric discharges in such minerals are accompanied by a destruction of integrity in the form of breakdown channels and the formation of a system of cracks around these channels [3]. The development of the domains of induced cracks around the channels is determined by the pressure of evaporated material in the breakdown channel. Upon an instantaneous energy release in a channel (nanosecond discharges), the change in its transverse size and in the gas density and pressure in the channel is determined by (i) the radial motion of the evaporation wave, (ii) the radial expansion of the channel, and (iii) the heated gas outflow from the channel. The evaporation wave moves with a speed on the same order of magnitude as the speed of sound (or greater) and travels a distance of around the initial channel radius, i.e., a much smaller distance than the breakdown channel length."

Jan 1, 2011

By lonkion M. Font

Due to the known disadvantages of the use of iron silicate slag in the nickel converting stage, i.e., high metal losses, high magnetite content, and low fixation of impurities in the slag, the development of the new proposed "ferrous calcium silicate slag" for smelting and converting processes of nickel is very promising. Hence, considering the successful experimental results of using CaO base slag for the nickel smelting process, a study based on a detailed comparison for the phase equilibrium, and the minor elements distribution between the NilS2-FeS matte with either FeOx-CaO or FeOx-Si02 base slag was investigated. The main results are summarized as: no difference in the nickel losses between both slags was found at high nickel content in the matte, and the fractional distribution analysis for arsenic and antimony pointed out their preferential fixation in the calcium ferrite slag rather than in the iron silicate slag. Considering the energy and pollution issues, the technical feasibility of using calcium ferrite slag in a converting process of the Bessemer matte will have a prominent future for the nickel industry.

Jan 1, 2003

By Anne Kvithydl

Printed circuited boards contain considerable quantities of valuable metal, while also containing many environmental pollutants making them unsuitable for landfill. In this study the decomposition of common plastics used in printed circuit boards were studied. Polytetrafluoroethylene (PTFE), polyvinyl chloride (PVC) and polyethylene (PE) were heated in both CO, and argon atmospheres using a thermo-gravimetric furnace (TG) coupled to a mass spectrometer (MS). Soda ash Na,C03 and baking soda NaHC03 were used as reactants. The degradation temperatures and evolved gases are presented for single plastics and mixtures. Mixed plastics are shown to behave as a sum of the individual plastics. The mass loss temperature is the same in CO, and argon. However, less residue is formed when heated in CO,.

Jan 1, 2008