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MPS Solidification Model. Volume 2: Operating guide and software documentation for the unsteady model

The operation of solidification Model 2 is described and documentation of the software associated with the model is provided. Model 2 calculates the macrosegregation in a rectangular ingot of a binary alloy as a result of unsteady horizontal axisymmetric bidirectional solidification. The solidification program allows interactive modification of calculation parameters as well as selection of graphical and tabular output. In batch mode, parameter values are input in card image form and output consists of printed tables of solidification functions. The operational aspects of Model 2 that differ substantially from Model 1 are described. The global flow diagrams and data structures of Model 2 are included. The primary program documentation is the code itself.

Maples, A. L.↗

A Numerical Study of Directional Solidification and Melting in Microgravity

A computational model is presented for the study of the solidification and melting of a pure substance and of a binary alloy. The enthalpy method has been used, and incorporated into a commercial CFD code. Three examples of the use of the model are described: the three-dimensional solidification of a pure substance (succinonitrile), the results of which are compared with experiment; an example of the solidification of a bismuth-tin alloy; and a simulation of a solidification and melting experiment done in space known as the MEPHISTO program.

Chen, P. Y. P.↗

Use of rotation to suppress thermosolutal convection in directionally solidified binary alloys

Effects of rotation on onset of convection during plane-front directional solidification of Pb-Sn and the pseudobinary system mercury cadmium telluride (Hg(1-x)Cd(x)Te), and on dendritic solidification of Pb-Sn have been studied by means of linear stability analysis. Incorporating Coriolis and centrifugal accelerations into the momentum equation of Coriell et al., we find that under realistic processing conditions, a large degree of stabilization can be achieved using modest rotation rates for both Pb-Sn and mercury cadmium telluride. At a growth velocity of 5 micron/sec and nominal liquid-side temperature gradient of 200 K/cm in Pb-Sn, rotation at 500 rpm results in a hundredfold increase in the critical Sn concentration. Large increases in the maximum allowable growth velocity at fixed melt composition are also attainable with modest rotation rates. The effect is amplified under conditions of reduced gravitational acceleration. For Hg(1-x)Cd(x)Te, we have also studied the nonrotating case. The key differences are due to the existence of a composition range for Hg(1-x)Cd(x)Te in which the melt density has a local maximum as a function of temperature. When the melt solidifies by cooling from below, the liquid density may initially increase with distance above the interface, before ultimately decreasing as the melt temperature increases above the value at which the local density maximum occurs. In contrast to the Pb-Sn case where density depends monotonically on temperature and composition, for Hg(1-x)Cd(x)Te there exists a critical value of the growth velocity above which plane-front solidification is unstable for all bulk CdTe mole fractions. Again, rotation leads to significant inhibition of onset. We identify the predicted stabilization with the Taylor-Proudman mechanism by which rotation inhibits thermal convection in a single-component fluid heated from below. In a binary liquid undergoing solidification, rotation inhibits the onset of buoyancy-driven convection, and has no effect on the short-wavelength morphological instability. At large growth velocities, the plane-front interface between liquid and solid becomes unstable with respect to a morphological instability and solidification occurs dendritically, with a mushy zone of dendrites and interdendritic fluid separating the solid from the melt. For the Pb-Sn system, rotation substantially suppresses the onset of convection in the mushy zone and in the overlying liquid, holding open the promise that rotation can suppress freckling and other macrosegregation defects.

Pearlstein, Arne J.↗

Acoustic emission from a solidifying aluminum-lithium alloy

Physical phenomena associated with the solidification of an AA2090 Al-Li alloy have been characterized by AE methods. Repeatable patterns of AE activity as a function of solidification time are recorded and explained for ultrahigh-purity (UHP) aluminum and an Al-4.7 wt pct Cu binary alloy, in addition to the AA2090 Al-Li alloy, by the complementary utilization of thermal, AE, and metallographic methods. One result shows that the solidification of UHP aluminum produces one discrete period of high AE activity as the last 10 percent of solid forms.

Henkel, D. P.↗

Solidification kinetics and metastable phase formation in binary Ti-Al

Electromagnetic levitation was used to solidify near-equiatomic alloys of Ti-Al at various bulk undercoolings. Detailed thermal histories were acquired during experiments using optical pyrometry with sampling rates as fast as 500 KHz. Solidification and other high-temperature transformation pathways were deduced from the thermal data and microstructural analysis. Recalescence rise times were employed to determine semiquantitative primary solidification kinetics for the different phases. Primary beta solidification was observed at compositions well into the equilibrium alpha regime; this is presented as part of a near-equiatomic nucleation domain diagram that shows the primary solidification phase that results for each combination of nucleation temperature and composition. Solidification kinetics are faster for primary beta than they are for primary alpha. For undercoolings less than about 150 K, the primary solidification kinetics are about an order of magnitude slower for gamma than for alpha.

Anderson, C. D.↗

Simulation of the Effect of Realistic Space Vehicle Environments on Binary Metal Alloys

Simulations that assess the effect of space vehicle acceleration environments on the solidification of Pb-Sb alloys are reported. Space microgravity missions are designed to provide a near zero-g acceleration environment for various types of scientific experiments. Realistically. these space missions cannot provide a perfect environment. Vibrations caused by crew activity, on-board experiments, support systems stems (pumps, fans, etc.), periodic orbital maneuvers, and water dumps can all cause perturbations to the microgravity environment. In addition, the drag on the space vehicle is a source of acceleration. Therefore, it is necessary to predict the impact of these vibration-perturbations and the steady-state drag acceleration on the experiments. These predictions can be used to design mission timelines. so that the experiment is run during times that the impact of the acceleration environment is acceptable for the experiment of interest. The simulations reported herein were conducted using a finite element model that includes mass, species, momentum, and energy conservation. This model predicts the existence of "channels" within the processing mushy zone and subsequently "freckles" within the fully processed solid, which are the effects of thermosolutal convection. It is necessary to mitigate thermosolutal convection during space experiments of metal alloys, in order to study and characterize diffusion-controlled transport phenomena (microsegregation) that are normally coupled with macrosegregation. The model allows simulation of steady-state and transient acceleration values ranging from no acceleration (0 g). to microgravity conditions (10(exp -6) to 10(exp -3) g), to terrestrial gravity conditions (1 g). The transient acceleration environments simulated were from the STS-89 SpaceHAB mission and from the STS-94 SpaceLAB mission. with on-orbit accelerometer data during different mission periods used as inputs for the simulation model. Periods of crew exercise, quiet (no crew activity), and nominal conditions from STS-89 were used as simulation inputs as were periods of nominal. overboard water-dump, and free-drift (no orbit maneuvering operations) from STS-94. Steady-state acceleration environments of 0.0 and 10(exp -6) to 10(exp -1) g were also simulated, to serve as a comparison to the transient data and to assess an acceptable magnitude for the steady-state vehicle drag

Westra, Douglas G.↗

The potential for bulk undercooling as an industrial process

The main focus is on solidification occurring in highly supercooled melts. Solidification rates in such melts are extremely high, an attractive feature from a commercial standpoint. Thus, the reported growth velocities for pure Ni and Co dendrites at a supercooling of 175 K are in excess of 180 km/hr. Rapidly quenched crystalline alloys produced by various atomization processes (e.g., centrifugal atomization or inert gas atomization) or melt spinning are examples of solidification processes, currently being intensively explored commercially, wherein extremely high solidification rates are achieved. Estimated dendrite tip growth rates are about 2 km/hr in a binary Al-4.5 wt % alloy, with a heat transfer coefficient of 6.4x10 sub 5 w/sq cm K or 15 cal/cu cm sK. In the limit, when the solidification rate exceeds a critical value, a glassy microstructure is obtained even in highly alloyed melts, which under normal conditions would solidity to form one or more crystalline phases. Glassy metals, also called metallic glasses, are candidate materials for distribution transformers because of their very low energy losses and are also being used in brazing and soldering applications.

Laxmanan, V.↗

Gravitational influence on eutectic solidification

The effect of gravity on eutectic solidification was investigated experimentally for Pb-Sn binary eutectic alloys. It is found that the separation of the primary crystals of the binary system from the coupled eutectic occurs over a wide range of cooling rates and gravitational fields (100-100,000 g). The separation is strongly influenced by the nucleation behavior of the particular alloy system. A mechanism for the strong phase separation is postulated on the basis of cloud convection models in atmospheric convection.

Sokolowski, Robert S.↗

Modeling the Freezing of SN in High Temperature Furnaces

Presently, crystal growth furnaces are being designed that will be used to monitor the crystal melt interface shape and the solutal and thermal fields in its vicinity during the directional freezing of dilute binary alloys, To monitor the thermal field within the solidifying materials, thermocouple arrays (AMITA) are inserted into the sample. Intrusive thermocouple monitoring devices can affect the experimental data being measured. Therefore, one objective of this work is to minimize the effect of the thermocouples on the data generated. To aid in accomplishing this objective, two models of solidification have been developed. Model A is a fully transient, one dimensional model for the freezing of a dilute binary alloy that is used to compute temperature profiles for comparison with measurements taken from the thermocouples. Model B is a fully transient two dimensional model of the solidification of a pure metal. It will be used to uncover the manner in which thermocouple placement and orientation within the ampoule breaks the longitudinal axis of symmetry of the thermal field and the crystal-melt interface. Results and conclusions are based on the comparison of the models with experimental results taken during the freezing of pure Sn.

Brush, Lucien↗

Ten past and ten future GAS/MAUS-payloads

MAUS (materials science autonomous experiments) is one out of a series of flight opportunities which the Space Program of West Germany offers to scientists from the disciplines of materials research and processing for performing materials science investigations under microgravity conditions. Up to now, ten MAUS experiments were flown which were dealing with the following scientific topics: decomposition of binary alloys with miscibility gap in the liquid state, interaction of a solidification front with dispersed particles, critical Marangoni number, investigation of the magnetic compound MnBi, shrinkage of gas bubbles in glass melts and slip casting. The ten future experiments are partly reflights with modification of the scientific objectives as well as new experiments in the fields of chemical reactions, heat transfer, glass technology and Ostwald ripening. Looking to ten flown payloads, the peculiarities of instrument technology in GAS-cans and its evolution is discussed with emphasis on structure, electronics and thermal design. A typical modern payload using 100 percent of the resource is presented.

Staniek, S.↗

Interactions Between Solidification and Compositional Convection in Alloys

This project combined theoretical and experimental ground-based studies of the interactions between convection and solidification of binary melts. Particular attention was focused on the alteration of the composition and microstructure of castings caused by convective flows through the interstices of mushy layers. Two different mechanisms causing convection were investigated. (i) Compositional, buoyancy driven convection is known to cause chimneys and freckles in directionally cast alloys on Earth. The analytical studies provide quantitative criteria for the formation of chimneys that can be used to assess the expediency of producing alloys in Space. (ii) Flow of the melt is also driven by the contraction (expansion) that typically occurs during change of phase. Such convection will occur even in the absence of gravity, and may indeed be the primary cause of macrosegregation during the production of alloys in Space. The studies will employed asymptotic methods in order to determine conditions for the stability of various states of solidifying systems. Further, simple macroscopic models of complete systems were developed and solved. These analytical studies were augmented by laboratory experiments using aqueous solutions, in which the convective flows could be easily observed and the effects of convection could be readily measured. These y experiments guided the development of the theoretical models and provided data against which the predictions of the models can be tested.

Davis, S. H.↗

Anisotropic interface kinetics and tilted cells in unidirectional solidification

A nonlinear evolution equation is derived which governs the cellular structure of a binary alloy with a small segregation coefficient, including the effects of anisotropic interface kinetics. This equation, applicable to long-wave instabilities of a planar interface, describes the spatial pattern of the growing disturbances. The presence of anisotropy causes the cells to grow at an angle to the normal of the planar front. This transition to a cellular morphology is shown to be a subcritical instability.

Young, G. W.↗

Microstructure Formations in the Two-Phase Region of the Binary Peritectic Organic System TRIS-NPG

In order to prepare for an onboard experiment on the International Space Station (ISS), systematic directional solidification experiments with transparent hypoperitectic alloys were carried out at different solidification rates around the critical velocity for morphological stability of both solid phases. The investigations were done in the peritectic region of the binary transparent organic TRIS-NPG system where the formation of layered structures is expected to occur. The transparent appearance of the liquid and solid phase enables real time observations of the dynamic of pattern formation during solidification. The investigations show that frequently occurring nucleation events govern the peritectic solidification morphology which occurs at the limit of morphological stability. As a consequence, banded structures lead to coupled growth even if the lateral growth is much faster compared to the growth in pulling direction.

Mogeritsch, Johann↗

Formation of Y(x)Nd(1-x) Ba2Cu3O(7-delta) (0 = or < x < or = 0.7) Superconductors from an Undercooled Melt Via Aero-Acoustic Levitation

Melt processing of RE123 superconductors has gained importance in recent years. While the first high temperature superconductors (HTSCs) were made using traditional ceramic press and sinter technology, recent fabrication efforts have employed alternate processing techniques including laser ablation and ion beam assisted deposition for thin film fabrication of tapes and wires and melt growth for bulk materials. To optimize these techniques and identify other potential processing strategies, phase relation studies on HTSCs have been conducted on a wide variety of superconducting compounds using numerous processing strategies. This data has enhanced the understanding of these complex systems and allowed more accurate modeling of phase interactions. All of this research has proved useful in identifying processing capabilities for HTSCs but has failed to achieve a breakthrough for wide spread application of these materials. This study examines the role of full to partial substitution of Nd in the Y123 structure under rapid solidification conditions. Aero-acoustic levitation (AAL) was used to levitate and undercool RE123 in pure oxygen binary alloys with RE = Nd an Y along a range of compositions corresponding to Y(x)Nd(1-x) Ba2Cu3O(7-delta) (0 = or < x < or = 0.7) which were melted by a CO2 laser. Higher Y content spheres could not be melted in the AAL and were excluded from this report. Solidification structures were examined using scanning electron microscopy, electron dispersive spectroscopy, and powder x-ray diffraction to characterize microstructures and identify phases.

Gustafson, D. E.↗

Channel formation in Pb-Sn, Pb-Sb, and Pb-Sn-Sb alloy ingots and comparison with the system NH4Cl-H2O

The formation of segregation channels during the unidirectional solidification of base chilled ingots has been studied as a function of composition in binary Pb-Sn and Pb-Sb and ternary Pb-Sn-Sb alloys. The patterns of channel distribution were characterized in the binary and ternary systems and are described as functions of temperature gradients, growth rates, dendrite spacings, and interdendritic permeabilities. Channels appear to nucleate at random across a dendritic front and subsequently to interact as they propagate, decreasing in density across the front. Assuming that the interdendritic spacing is the characteristic distance for a liquid perturbation, yields critical effective Rayleigh numbers which lie within a factor of x 40 for both metallic and aqueous systems. This correlation is close, considering the sensitivity to any assumed dimension and the range of material properties involved, and is taken to support a model for channel nucleation occurring close to the dendritic growth front.

Hellawell, A.↗

Containerless processing of Nb-Ge alloys in a long drop tube

The thirty-two meter drop tube at the Marshall Space Flight Center was used to study the effect of zero gravity containerless processing on the structure and properties of materials. The concept involves the suppression of heterogeneous nucleation of solid in liquid and, therefore, solidification accompanied by large degrees of undercooling. Under these conditions metastable phases can be formed or, at the very least, unique nonequilibrium microstructures (containing equilibrium phases) with unique properties can be produced. The drop tube solidification was applied to niobium base alloys with emphasis on the Nb-Ge binary system in an effort to produce metastable phases with high superconducting transition temperatures in bulk specimens. In the past, only lower Ge alloys (Nb-13 a/o, Nb-18 a/o, and Nb-22 a/o) could be undercooled. Higher Ge alloys (e.g., Nb-25 a/o Ge and Nb-27 a/o Ge) can now be undercooled on a routine basis.

Bayuzick, R. J.↗

A quantitative study of factors influencing lamellar eutectic morphology during solidification

The factors that influence the shape of the solid-liquid interface of a lamellar binary eutectic alloy are evaluated. Alloys of carbon tetrabromide and hexachloroethane which serve as a transparent analogue of lamellar metallic eutectics are used. The observed interface shapes are analyzed by computer-aided methods. The solid-liquid interfacial free energies of each of the individual phases comprising the eutectic system are measured as a function of composition using a 'grain boundary groove' technique. The solid-liquid interfacial free energy of the two phases are evaluated directly from the eutectic interface. The phase diagram for the system, the heat of fusion as a function of composition, and the density as a function of composition are measured. The shape of the eutectic interface is controlled mainly by the solid-liquid and solid-solid interfacial free energy relationships at the interface and by the temperature gradient present, rather than by interlamellar diffusion in the liquid at the interface, over the range of growth rates studied.

Kaukler, W. F. S.↗