Kinetic cross coupling between non-conserved and conserved fields in phase field models

We present a phase field model for isothermal transformations of two component alloys that includes Onsager kinetic cross coupling between the non-conserved phase field and the conserved concentration field. We also provide the reduction of the phase field model to the corresponding macroscopic description of the free boundary problem. The reduction is given in a general form. Additionally we use an explicit example of a phase field model and check that the reduced macroscopic description, in the range of its applicability, is in excellent agreement with direct phase field simulations. The relevance of the newly introduced terms to solute trapping is also discussed

Universal Dynamics of Phase-Field Models for Dendritic Growth

We compare time-dependent solutions of different phase-field models for dendritic solidification in two dimensions, including a thermodynamically consistent model and several ad hoc models. The results are identical when the phase-field equations are operating in their appropriate sharp interface limit. The long time steady state results are all in agreement with solvability theory. No computational advantage accrues from using a thermodynamically consistent phase-field model.Comment: 4 pages, 3 postscript figures, in latex, (revtex

Phase-Field Formulation for Quantitative Modeling of Alloy Solidification

A phase-field formulation is introduced to simulate quantitatively microstructural pattern formation in alloys. The thin-interface limit of this formulation yields a much less stringent restriction on the choice of interface thickness than previous formulations and permits to eliminate non-equilibrium effects at the interface. Dendrite growth simulations with vanishing solid diffusivity show that both the interface evolution and the solute profile in the solid are well resolved

Crossover Scaling in Dendritic Evolution at Low Undercooling

We examine scaling in two-dimensional simulations of dendritic growth at low undercooling, as well as in three-dimensional pivalic acid dendrites grown on NASA's USMP-4 Isothermal Dendritic Growth Experiment. We report new results on self-similar evolution in both the experiments and simulations. We find that the time dependent scaling of our low undercooling simulations displays a cross-over scaling from a regime different than that characterizing Laplacian growth to steady-state growth

Dynamics of driven interfaces near isotropic percolation transition

We consider the dynamics and kinetic roughening of interfaces embedded in uniformly random media near percolation treshold. In particular, we study simple discrete ``forest fire'' lattice models through Monte Carlo simulations in two and three spatial dimensions. An interface generated in the models is found to display complex behavior. Away from the percolation transition, the interface is self-affine with asymptotic dynamics consistent with the Kardar-Parisi-Zhang universality class. However, in the vicinity of the percolation transition, there is a different behavior at earlier times. By scaling arguments we show that the global scaling exponents associated with the kinetic roughening of the interface can be obtained from the properties of the underlying percolation cluster. Our numerical results are in good agreement with theory. However, we demonstrate that at the depinning transition, the interface as defined in the models is no longer self-affine. Finally, we compare these results to those obtained from a more realistic reaction-diffusion model of slow combustion.Comment: 7 pages, 9 figures, to appear in Phys. Rev. E (1998

Flame propagation in random media

We introduce a phase-field model to describe the dynamics of a self-sustaining propagating combustion front within a medium of randomly distributed reactants. Numerical simulations of this model show that a flame front exists for reactant concentration $c > c^* > 0$, while its vanishing at $c^*$ is consistent with mean-field percolation theory. For $c > c^*$, we find that the interface associated with the diffuse combustion zone exhibits kinetic roughening characteristic of the Kardar-Parisi-Zhang equation.Comment: 4, LR541

Efficient Computation of Dendritic Microstructures using Adaptive Mesh Refinement

We study dendritic microstructure evolution using an adaptive grid, finite element method applied to a phase-field model. The computational complexity of our algorithm, per unit time, scales linearly with system size, rather than the quadratic variation given by standard uniform mesh schemes. Time-dependent calculations in two dimensions are in good agreement with the predictions of solvability theory, and can be extended to three dimensions and small undercoolingsComment: typo in a parameter of Fig. 1; 4 pages, 4 postscript figures, in LateX, (revtex

Controlling crystal symmetries in phase-field crystal models

We investigate the possibility to control the symmetry of ordered states in phase-field crystal models by tuning nonlinear resonances. In two dimensions, we find that a state of square symmetry as well as coexistence between squares and hexagons can be easily obtained. In contrast, it is delicate to obtain coexistence of squares and liquid. We develop a general method for constructing free energy functionals that exhibit solid-liquid coexistence with desired crystal symmetries. As an example, we develop a free energy functional for square-liquid coexistence in two dimensions. A systematic analysis for determining the parameters of the necessary nonlinear terms is provided. The implications of our findings for simulations of materials with simple cubic symmetry are discussed.Comment: 19 pages, 6 figure

Sharp interface limits of phase-field models

The use of continuum phase-field models to describe the motion of well-defined interfaces is discussed for a class of phenomena, that includes order/disorder transitions, spinodal decomposition and Ostwald ripening, dendritic growth, and the solidification of eutectic alloys. The projection operator method is used to extract the ``sharp interface limit'' from phase field models which have interfaces that are diffuse on a length scale $\xi$. In particular,phase-field equations are mapped onto sharp interface equations in the limits $\xi \kappa \ll 1$ and $\xi v/D \ll 1$, where $\kappa$ and $v$ are respectively the interface curvature and velocity and $D$ is the diffusion constant in the bulk. The calculations provide one general set of sharp interface equations that incorporate the Gibbs-Thomson condition, the Allen-Cahn equation and the Kardar-Parisi-Zhang equation.Comment: 17 pages, 9 figure

Phase-field approach to polycrystalline solidification including heterogeneous and homogeneous nucleation

Advanced phase-field techniques have been applied to address various aspects of polycrystalline solidification including different modes of crystal nucleation. The height of the nucleation barrier has been determined by solving the appropriate Euler-Lagrange equations. The examples shown include the comparison of various models of homogeneous crystal nucleation with atomistic simulations for the single component hard-sphere fluid. Extending previous work for pure systems (Gránásy L, Pusztai T, Saylor D and Warren J A 2007 Phys. Rev. Lett. 98 art no 035703), heterogeneous nucleation in unary and binary systems is described via introducing boundary conditions that realize the desired contact angle. A quaternion representation of crystallographic orientation of the individual particles (outlined in Pusztai T, Bortel G and Gránásy L 2005 Europhys. Lett. 71 131) has been applied for modeling a broad variety of polycrystalline structures including crystal sheaves, spherulites and those built of crystals with dendritic, cubic, rhombododecahedral, truncated octahedral growth morphologies. Finally, we present illustrative results for dendritic polycrystalline solidification obtained using an atomistic phase-field model