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By L. Yin, R. B. Haber, N. Sobh, D. A. Tortorelli, R. W. Hyland Jr.

"We optimize continuous quench process parameters to produce a desired precipitate distribution in aluminum alloy extrudates. To perform this task, an optimization problem is defined and solved using a standard nonlinear programming algorithm. Ingredients of this algorithm include a cost function, constraint functions and their sensitivities with respect to the process parameters. These functions are dependent on the temperature and precipitate size which are obtained by balancing energy to determine the temperature distribution and by using a reaction-rate theory to determine a discrete precipitate particle size distribution. Both the temperature and the precipitate models are solved via the finite element method. Since we use a discrete particle size model, there are as many as 105 degrees-of-freedom per finite element node. After we compute the temperature and precipitate size distributions, we must also compute their sensitivities. This seemingly intractable computational task is resolved by using an element-by-element discontinuous Galerkin finite element formulation and a direct differentiation sensitivity analysis which allows us to perform all of the computations on a PC.1 IntroductionThis work addresses the need for an integrated design capability that links microstructure evolution to the process parameters. It is motivated by the manufacture of lightweight aluminum-alloy extrusions for use in automotive structures. Aluminum alloys offer obvious benefits, however, care must be taken to manufacture favorable microstructures that ensure acceptable structural performance. For example, the manufacturing process for 6000-series components involves hot extrusion of cast aluminum billets followed by either an air or water quench process. The bill~t's initial grain structure is dramatically altered during extrusion by massive mechanical deformations and recrystallization processes. The microstructure continues to evolve during the quench, as complex chemical processes determine the formation of precipitates. The control of the precipit'ate size distribution is vital. Indeed, large precipitates located on grain boundaries serve as crack initiation sites which adversely effect structural crash· worthiness."

Jan 1, 2000

By Kimio Ilagaki

The distribution ratios of Ag, Pb, As, Sb and Bi for the Cu2S-FeS or Ni3S2-FeS matte I FeOx-SiOl, FeOx-Si02-CaO or FeOx-CaO slag equilibration in a MgO crucible were determined experimentally at 1523 ~1573K under controlled partial pressures of S2 and 02 at given PS02 of 10.1,50.7 and 101.3 kPa(O.I, 0.5 and I atm), and the observed dependency of distribution ratio on the matte grade, S02 pressure and slag basicity were analyzed on the basis of thermodynamics.

Jan 1, 2003

By Jari Aromaa, Olof Forsen

"Oxygen evolution by decomposition of water is the main anodic· reaction in sulphuric acid solution. Traditional anode materials have been relatively low-cost lead alloys, though the active lead dioxide layer has a high oxygen evolution overpotential. This causes a significant increase of cell voltage. To lower total energy use in metal production, electrocatalytical properties or corrosion resistance to decrease replacement costs must be improved. Addition of an catalyzing ion will decrease oxygen evolution potential. The effective area of an anode increases by calcium additions and by producing anodes with fine microstructure. Remelting and rapid quenching is possibly a method that is economically feasible and technically simple enough to be adopted.IntroductionPermanent anodes are widely used in several electrochemical processes and cathodic protection applications. The permanent or ""inert"" anodes can be either massive or coated anodes. The massive anodes are metals, like lead alloys, or non-metals, like magnetite, graphite or ferrite. The coated anodes are made of a valve metal base (titanium, niobium or tantalum) coated with an electrochemically active coating. The purpose of anodes is to supply current to the electrochemical cell. A vast number of materials and their combinations are electrical conductors and may hence be used as anode materials. However, good anode materials must survive in aggressive environments and also be able to pass high current densities. These opposite requirements restrict the amount of possible materials. Generally, an useful anode material must meet three requirements, electrical conductivity, electro catalysis and stability. Good electrical conductivity is essential for energy efficiency. Good electrocatalytical properties are essential to improve product yield. Long term stability is also an important property, because electrode wear and corrosion may cause product contamination, increasing energy consumption and material and labor costs due to need of periodical maintenance. Electrical conductivity and electrocatalytical properties are more widely studied subjects than long term stability of anodes, and a good amount of information about these two subjects can be found in the open literature. Wear and corrosion mechanisms of the anodes vary depending on the operational conditions, i.e. concentration of different species, temperature and operating current density."

Jan 1, 1997

By J. M. Rapkoch

In late October 1996, an acid plant at a major U.S. copper smelter was faced with unexpected and rapidly increasing pressure drop across the gas cooling tower in the acid plant, indicating a build-up on the packing. This threatened to halt operations if not resolved. Earlier that month, a smaller vessel in the acid plant was found to be completely plugged with lead sulfate. It was feared that a similar fate awaited the gas cooling tower unless the scale build-up was stopped. Although lead sulfate is present in most copper smelter acid plants, this accumulation was unusually severe. An investigation was launched to find the source of the lead, determine how lead is transported to the gas cooling tower, recommend operating practices to prevent such severe scaling, and seek ways to recycle the lead value in the scale covered polypropylene packing. Late in the investigation it was learned that the lead originated from an improperly executed recycling program.

Jan 1, 2000

By M. Yoshida, S. Hanada, T. Takasugi

"A study has been conducted to examine the effect of ternary alloying elements on high temperature deformation of the C15 NbCr2 based intermetallics in Nb-Cr-X (X=V, Mo and W) alloy systems, which have attractive properties as high temperature structural materials. The high temperature deformation of the C15 NbCr2 intermetallics can be improved by two alloying methods. One method is based on geometrical consideration for site occupation and atomic size factor of component elements and additive elements in the single phase C15 lattice; addition of Mo and V can promote dislocation movement without introducing significant hardening. The other method is based on microstructural modification through ternary alloying; moderate addition of these elements results in a variety of duplex microstructure consisting of the C15 phase and bee solid solution without forming any intermediate phases, and can enhance the high temperature deformability. Particularly, alloys with duplex microstructure equilibrating with Cr-rich bee solid solution is shown to exhibit superior deform ability. Also, lattice property of the additive atoms in the C15 structure and phase relation between the C15 structure and the bee solid solution are investigated by OM, XRD, TEM and ALCHEMI observations and then discussed in association with observed mechanical behavior.IntroductionLaves intermetallics with AB2 stoichiometry belong to the largest group in a large number of intermetallics with various kind of crystal structures, and have a variation of the cubic CIS, the hexagonal C14 and the dihexagonal C36 structures, depending on stacking sequence of XYZ type, each of which consists of four interpenetrating atomic layers (1-3). Some of the Laves intermetallics have good functional properties and therefore are considered to be used as, for instance, magnetic materials, magneto-optical materials, hydrogen storage materials and superconducting materials (2). Also, the Laves intermetallics are considered to be good candidate as high temperature structural materials operating at high temperatures and in severe environment because they have high melting point, low density, and potential resistance to corrosion and oxidation. However, the Laves intermetallics are very brittle at low temperatures because they consist of complex crystal structures similar to many other intermetallics."

Jan 1, 1996

By Jennifer Murphy, Brad S. Schake, Karol Holmes, John R. FitzPatrick, Mike H. West

"The separation and purification of uranium from either nitric acid or hydrochloric acid media can be accomplished by using either solvent extraction or ion-exchange. Over the past two years at Los Alamos, emerging programs are focused on recapturing the expertise required to do limited, small-quantity processing of enriched uranium. During this period of time, we have been investigating ion-exchange as a method for extraction/purification of uranium from acidic media. In addition, waste stream polishing is associated with this effort in order to achieve more complete removal of the uranium prior to recycle of the acid. Extraction chromatography has been demonstrated to further polish the uranium from both nitric and hydrochloric acid media thus allowing for a more complete recovery of the actinide material and creation of less waste during the processing steps.We will discuss contact experiments for evaluation of eleven different resins for uranium removal from nitric acid, the evaluation (again by contact experiments) of uranium elution from the ion-exchange media by various chemicals, and small-scale experiments for the removal of 235U from nitric acid. Larger-scale (1 DO-gram) flow experiments, using depleted uranium, were done after the small-scale evaluation of the selected resin. A discussion is also included concerning the shortcomings of the contact experiments and how the flow experiments were modified in order to overcome these problems. We will also discuss the application of ion-exchange for some specific process needs at Los Alamos.Contact experiments were used to evaluate some commercially available solvent-impregnated resins in addition to evaluation of several resins of this type synthesized in our laboratory. These experiments involved both nitric and hydrochloric acid media. The data from these experiments will be used to determine the column size and amount of resin required to polish the waste stream produced by the ion-exchange process described above. Small-scale flow experiments will be described and data given on the mass balances achieved using this two step process.Future work for evaluation of new ion-exchange and solvent-impregnated resins as well as the search for new eluants will be discussed. Other future experiments for both processes, including large-scale experiments, will be discussed in detail."

Jan 1, 1996

By P. A. Manohar

This paper describes an implementation of the Potts model for simulation of grain growth in 2D on a distributed-memory parallel architecture. The simulation scheme utilizes a continuous-time, asynchronous parallel version of the n-fold way algorithm. Each Processing Element (PE) carries a piece of the global simulation domain while the virtual topology of the PEs is in the form of a square grid in 2D and Torus in 3D. Different PEs have different local simulated times. Inter-processor communication is carried by the Message Passing Interface (MPI) routines. Sample results for grain growth simulation in 2D are presented for a 840 x 840 global domain size distributed over 16 PEs. The grain growth kinetics obtained in the simulation of pure, isotropic systems is in good agreement with the theory. Grain size distributions obtained in the parallel simulation are well described by the lognormal distribution, thus validating the simulation procedure. Keywords: Metropolis algorithm. n-fold way algorithm, asynchronous parallelization, grain growth

Jan 1, 2003

By Victor Stancovski, Uday Pal, Stephen C. Britten

"An in situ electrochemical technique for measuring the concentrations of easily dissociable oxides in slags at temperatures between 1200-1600°C is being developed. The technique utilizes a partially-stabilized-zirconia solid electrolyte (PSZ), which conducts oxygen ions, to separate a reference-gas compartment from the slag of interest. Three types of measurements are currently under investigation which yield different information concerning the slag phase and hence will be combined into a single amperometric device for monitoring the properties of easily dissociable slags.Type I utilizes an open-circuit-voltage measurement between the reference gas and the slag phase. Type II utilizes a potentiostat to apply a direct current potential step or sweep between the inner and outer compartments of the electrolyte, driving oxygen ions from the slag into a reference gas. With the use of open-circuit-reference electrodes, the resulting current-potential profile reveals the dissociation potential and concentration profile of dissociable oxides such as those of iron, manganese, and chromium. Information on the transport properties of the cations can also be generated from these measurements. Type III utilizes a potentiostat with reference electrodes to carefully electrolyze a known volume of slag by removing large quantities of oxygen ions from the slag to the reference gas. The coulombs of charge removed at different applied potentials can be used as a direct indication of the concentration of each dissociable oxide species present within the slag."

Jan 1, 1997

By Hang Goo Kim

A mathematical analysis based on equilibrium modeling has been developed to describe the distribution behavior of minor elements such as Pb, Zn, Bi, Sb, and As among gas, slag and recovered copper phases during the reduction of copper oxide in slag cleaning with CO gas. The results show that large fractions of the impurities transferred to slag during smelting or converting are recycled to the recovered copper metal. It is also shown that there is a limit to the recovery of copper from slag because iron oxides are also reduced to form a copper-iron alloy at low oxygen potentials. The effects of various operating parameters such as temperature, the activity of FeO, the initial amounts of the elements in the slag and CO content in process gas, on the behavior of these minor elements are discussed. The predicted results were compared with the results of a pilot plant operation in which pulverized coal was used as a reductant. Consistent trends between the two cases were obtained.

Jan 1, 1992

By L. E. Murr

Preliminary studies of bacterial attachment to MoSp (molybdenite) have indicated a low correlation between dislocation density in the (0001) basal plane and the density of attached microbes. In the present investigation, poly- crystalline thin sections of CuFeSp (chalcopyrite) have been ion-etched or carefully comminuted to electron transparency and observed in the transmission electron microscope. The thinned test sections were then immersed in a culture solution in which bacterial attachment occurred. The attached bacteria were biologically stained in a uranyl acetate solution and the entire thin CuFeSp sections or tiny particles containing thin, electron transparent edges with bacteria attached were observed in the transmission electron microscope, allowing the coincidence of bacteria and their density to be directly observed in relation to lattice dislocations and crystallographic orientations of the exposed surfaces. This technique has the advantage of exposing crystallographic orientations where dislocation lines intersect the free mineral surface, and the emergence sites of dislocations could in principle be directly investigated as a possible preferential attachment site for bacteria. Bacteria morphologies were also extensively observed in the scanning electron microscope. The implications of the results are that although a strong correlation between dislocation density and distribution and bacterial attachment, density, and distribution has not been established, systematic multiplication of dislocation densities in crystalline mineral particles to be leached could enhance leaching rates by increasing the reaction rates as well as the density of attached bacteria at crystalline, metal-rich phases. Techniques for dislocation production in mineral and ore bodies and the particular implications in chalcopyrite leaching are discussed in relation to in-situ leaching where comminution is attained by explosives and the generation of strong shock waves in an ore body. The present study demonstrates the use of microanalytical and microscopic techniques in the investigation of fundamental microstructural phenomena in hydrometallurgical processes.

Jan 1, 1976