Optimal design of solidification processes

An optimal design algorithm is presented for the analysis of general solidification processes, and is demonstrated for the growth of GaAs crystals in a Bridgman furnace. The system is optimal in the sense that the prespecified temperature distribution in the solidifying materials is obtained to maximize product quality. The optimization uses traditional numerical programming techniques which require the evaluation of cost and constraint functions and their sensitivities. The finite element method is incorporated to analyze the crystal solidification problem, evaluate the cost and constraint functions, and compute the sensitivities. These techniques are demonstrated in the crystal growth application by determining an optimal furnace wall temperature distribution to obtain the desired temperature profile in the crystal, and hence to maximize the crystal's quality. Several numerical optimization algorithms are studied to determine the proper convergence criteria, effective 1-D search strategies, appropriate forms of the cost and constraint functions, etc. In particular, we incorporate the conjugate gradient and quasi-Newton methods for unconstrained problems. The efficiency and effectiveness of each algorithm is presented in the example problem

Emergence of foams from the breakdown of the phase field crystal model

The phase field crystal (PFC) model captures the elastic and topological properties of crystals with a single scalar field at small undercooling. At large undercooling, new foam-like behavior emerges. We characterize this foam phase of the PFC equation and propose a modified PFC equation that may be used for the simulation of foam dynamics. This minimal model reproduces von Neumann's rule for two-dimensional dry foams, and Lifshitz-Slyozov coarsening for wet foams. We also measure the coordination number distribution and find that its second moment is larger than previously-reported experimental and theoretical studies of soap froths, a finding that we attribute to the wetness of the foam increasing with time.Comment: 4 pages, 4 figure

Adaptive-Grid Methods for Phase Field Models of Microstructure Development

In this work the authors show how the phase field model can be solved in a computationally efficient manner that opens a new large-scale simulational window on solidification physics. Our method uses a finite element, adaptive-grid formulation, and exploits the fact that the phase and temperature fields vary significantly only near the interface. We illustrate how our method allows efficient simulation of phase-field models in very large systems, and verify the predictions of solvability theory at intermediate undercooling. We then present new results at low undercoolings that suggest that solvability theory may not give the correct tip speed in that regime. We model solidification using the phase-field model used by Karma and Rappel

Rapidly solidified titanium alloys by melt overflow

A pilot plant scale furnace was designed and constructed for casting titanium alloy strips. The furnace combines plasma arc skull melting techniques with melt overflow rapid solidification technology. A mathematical model of the melting and casting process was developed. The furnace cast strip of a suitable length and width for use with honeycomb structures. Titanium alloys Ti-6Al-4V and Ti-14Al-21 Nb were successfully cast into strips. The strips were evaluated by optical metallography, microhardness measurements, chemical analysis, and cold rolling

Phase-field modeling of the dendrite orientation transition in Al-Zn alloys

With a few exceptions, phase-field simulations of dendritic growth in cubic materials have been modeled using simple expressions for the interfacial energy anisotropy and with strong anisotropy. However, recent experimental results show that the Dendrite Orientation Transition (DOT) observed in Al-Zn alloys by Gonzales and Rappaz [Met. Mat. Trans. A37 (2006) 2797] occurs at weak anisotropy, and modeling these results requires at least two anisotropy parameters. In the present work, we solve the corresponding phase-field model on an adaptive grid, after measuring and compensating for the grid anisotropy. A systematic scan of equiaxed growth simulations was performed in the range of the anisotropy parameter space where the transition is expected. We find separate domains of existence of and dendrites, similar to those previously reported by Haxhimali et al. [Nat. Mat. 5 (2006) 660] for pure materials. In the so-called hyperbranched regime, lying between the and regions, we observe a competition between and growth directions, but no seaweed structures. Directional solidification simulations showed the stabilizing effect of the thermal gradient on the twofold splitting of dendrites, and the importance of the choice of anisotropy parameters. We also found a strong dependence between the orientation of the crystal axes with respect to the thermal gradient and the actual growth direction. Finally, 3-dimensional seaweed microstructures were modeled for the first time, demonstrating that this pattern is a result of not only the values of anisotropy parameters, but also a consequence of directional solidification

A mesoscale granular model for the mechanical behavior of alloys during solidification

We present a two-dimensional granular model for the mechanical behavior of an ensemble of globular grains during solidification. The grain structure is produced by a Voronoi tessellation based on an array of predefined nuclei. We consider the fluid flow caused by grain movement and solidification shrinkage in the network of channels that is formed by the faces of the grains in the tessellation. We develop the governing equations for the flow rate and pressure drop across each channel when the grains are allowed to move, and we then assemble the equations into a global expression that conserves mass and force in the system. We show that the formulation is consistent with dissipative formulations of non-equilibrium thermodynamics. Several example problems are presented to illustrate the effect of tensile strains and the availability of liquid to feed the deforming microstructure. For solid fractions below g(s) = 0.97, we find that the fluid is able to feed the deformation at low strain, even if external feeding is not permitted. For solid fractions above g(s) = 0.97, clusters of grains with "dry" boundaries form and fluid flow becomes highly localized. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved