Defects and multistability in eutectic solidification patterns

We use three-dimensional phase-field simulations to investigate the dynamics of the two-phase composite patterns formed upon during solidification of eutectic alloys. Besides the spatially periodic lamellar and rod patterns that have been widely studied, we find that there is a large number of additional steady-state patterns which exhibit stable defects. The defect density can be so high that the pattern is completely disordered, and that the distinction between lamellar and rod patterns is blurred. As a consequence, the transition from lamellae to rods is not sharp, but extends over a finite range of compositions and exhibits strong hysteresis. Our findings are in good agreement with experiments.Comment: 6 pages, 8 figure

Remarks on some open problems in phase-field modelling of solidification

International audienceThree different topics in phase-field modelling of solidification are discussed, with particular emphasis on the limitations of the currently available modelling approaches. First, thin-interface limits of two-sided phase-field models are examined, and it is shown that the antitrapping current is in general not sufficient to remove all thin-interface effects. Second, orientation-field models for polycrystalline solidification are analyzed, and it is shown that the standard relaxational equation of motion for the orientation field is incorrect in coherent polycrystalline matter. Third, it is pointed out that the standard procedure of incorporating fluctuations into the phase-field approach cannot be used in a straightforward way for a quantitative description of nucleation

Lattice Boltzmann simulations of 3D crystal growth: Numerical schemes for a phase-field model with anti-trapping current

A lattice-Boltzmann (LB) scheme, based on the Bhatnagar-Gross-Krook (BGK) collision rules is developed for a phase-field model of alloy solidification in order to simulate the growth of dendrites. The solidification of a binary alloy is considered, taking into account diffusive transport of heat and solute, as well as the anisotropy of the solid-liquid interfacial free energy. The anisotropic terms in the phase-field evolution equation, the phenomenological anti-trapping current (introduced in the solute evolution equation to avoid spurious solute trapping), and the variation of the solute diffusion coefficient between phases, make it necessary to modify the equilibrium distribution functions of the LB scheme with respect to the one used in the standard method for the solution of advection-diffusion equations. The effects of grid anisotropy are removed by using the lattices D3Q15 and D3Q19 instead of D3Q7. The method is validated by direct comparison of the simulation results with a numerical code that uses the finite-difference method. Simulations are also carried out for two different anisotropy functions in order to demonstrate the capability of the method to generate various crystal shapes

Grain coarsening in two-dimensional phase-field models with an orientation field

In the literature, contradictory results have been published regarding the form of the limiting (long-time) grain size distribution (LGSD) that characterizes the late stage grain coarsening in two-dimensional and quasi-two-dimensional polycrystalline systems. While experiments and the phase-field crystal (PFC) model (a simple dynamical density functional theory) indicate a lognormal distribution, other works including theoretical studies based on conventional phase-field simulations that rely on coarse grained fields, like the multi-phase-field (MPF) and orientation field (OF) models, yield significantly different distributions. In a recent work, we have shown that the coarse grained phase-field models (whether MPF or OF) yield very similar limiting size distributions that seem to differ from the theoretical predictions. Herein, we revisit this problem, and demonstrate in the case of OF models [by R. Kobayashi et al., Physica D 140, 141 (2000) and H. Henry et al. Phys. Rev. B 86, 054117 (2012)] that an insufficient resolution of the small angle grain boundaries leads to a lognormal distribution close to those seen in the experiments and the molecular scale PFC simulations. Our work indicates, furthermore, that the LGSD is critically sensitive to the details of the evaluation process, and raises the possibility that the differences among the LGSD results from different sources may originate from differences in the detection of small angle grain boundaries

Phase-field crystal study of grain-boundary premelting

We study the phenomenon of grain-boundary premelting for temperatures below the melting point in the phase-field crystal model of a pure material with hexagonal ordering in two dimensions. We investigate the structures of symmetric tilt boundaries as a function of misorientation for two different inclinations and compute in the grand canonical ensemble the disjoining potential V(w) that governs the fundamental interaction between crystal-melt interfaces as a function of the premelted layer width w. The results reveal qualitatively different behaviors for high-angle grain boundaries that are uniformly wetted, with w diverging logarithmically as the melting point is approached from below, and low-angle boundaries that are punctuated by liquid pools surrounding dislocations, separated by solid bridges. This qualitative difference between high and low angle boundaries is reflected in the w-dependence of the disjoining potential that is purely repulsive (V'(w)<0 for all w) above a critical misorientation, but switches from repulsive at small w to attractive at large w for low angles. In the latter case, V(w) has a minimum that corresponds to a premelted boundary of finite width at the melting point. Furthermore, we find that the standard wetting condition (the grain boundary energy is equal to twice the solid-liquid free energy) gives a much too low estimate of the critical misorientation when a low-temperature value of the grain boundary energy is used. In contrast, a reasonable estimate is obtained if the grain boundary energy is extrapolated to the melting point, taking into account both the elastic softening of the material at high temperature and local melting around dislocations.Comment: 24 pages, 13 figures, some figure files with reduced resolution because of submission size limitations. In the 2nd version, some parts (and figures) have been modified, especially in Sec. V (discussion

Unified derivation of phase-field models for alloy solidification from a grand-potential functional

In the literature, two quite different phase-field formulations for the problem of alloy solidification can be found. In the first, the material in the diffuse interfaces is assumed to be in an intermediate state between solid and liquid, with a unique local composition. In the second, the interface is seen as a mixture of two phases that each retain their macroscopic properties, and a separate concentration field for each phase is introduced. It is shown here that both types of models can be obtained by the standard variational procedure if a grand-potential functional is used as a starting point instead of a free-energy functional. The dynamical variable is then the chemical potential instead of the composition. In this framework, a complete analogy with phase-field models for the solidification of a pure substance can be established. This analogy is then exploited to formulate quantitative phase-field models for alloys with arbitrary phase diagrams. The precision of the method is illustrated by numerical simulations with varying interface thickness.Comment: 36 pages, 1 figur