Investigating heterogeneous nucleation in peritectic materials via the phase-field method

Abstract

Here we propose a phase-field approach to investigate the influence of convection on peritectic growth as well as the heterogeneous nucleation kinetics of peritectic systems. For this purpose we derive a phase-field model for peritectic growth taking into account fluid flow in the melt, which is convergent to the underlying sharp interface problem in the thin interface limit (Karma and Rappel 1996 Phys. Rev. E 53 R3017). Moreover, we employ our new phase-field model to study the heterogeneous nucleation kinetics of peritectic material systems. Our approach is based on a similar approach towards homogeneous nucleation in Gránásy et al (2003 Interface and Transport Dynamics (Springer Lecture Notes in Computational Science and Engineering vol 32) ed Emmerich et al (Berlin: Springer) p 190). We applied our model successfully to extend the nucleation rate predicted by classical nucleation theory for an additional morphological term relevant for peritectic growth. Further applications to understand the mechanisms and consequences of heterogeneous nucleation kinetics in more detail are discussed.

Variational formulation and numerical accuracy of a quantitative phase-field model for binary alloy solidification with two-sided diffusion

“…This correction was successfully realized by introducing an additional diffusion flux called the antitrapping current into the diffusion equation [10]. The quantitative model with the antitrapping current has been extended to deal with more general cases [12][13][14] and such models are increasingly utilized for investigations of solidification microstructures [15][16][17][18][19][20][21][22][23][24].…”

Solidification in a Supercomputer: From Crystal Nuclei to Dendrite Assemblages

“…Quantitative phase-field models are being increasingly utilized for quantitative simulations of solidification phenomena. 34,36,[68][69][70][71][72][73][74][75][76][77][78][79][80][81] As mentioned above, significant progress has been made in quantitative phase-field modeling for alloy solidification. The accuracy of quantitative phase-field simulations is evaluated by observing the convergence behavior of the simulation results with decreasing W. It has been demonstrated that the convergence of the results in quantitative phase-field simulations is much faster than that of the results in the conventional phase-field model, [31][32][33] which indicates that accurate results can be obtained using a large value for W in quantitative phase-field models.…”

Nucleation and successive microstructure evolution: simulation approaches for a comprehensive picture from the atomistic to the microscale

“…The model equations so far -except of the anisotropic form of W, which we apply here in the context of these equations for the first time -have been developed initially in [16] and been extended to hydrodynamics in [17]. For details see [17].…”