Papers by Keyword: Phase Field Simulation

Abstract: The recent progress in theoretical, experimental, and computational studies of phase coarsening is briefly reported in this paper. The study of phase coarsening in materials processing is important to ensuring future improvements in a variety of industrial materials applications. The first successful theoretical description of diffusion-controlled phase coarsening in three-dimensional systems was proposed by Lifshitz and Slyozov in 1961, and independently, a theory for interface-reaction-controlled phase coarsening was developed by Wagner in 1961. In order to consider the effects of non-zero volume fraction on phase coarsening, recently, the author developed diffusion screening theory for the kinetics of phase coarsening. In the case of ultra-high volume fractions, the author’s diffusion layer theory was published in 2023. There are several advanced experimental methods developed to investigate and quantify the late-stage phase coarsening, including microgravity experiment on Space Shuttle and the International Space Station (ISS). Recently, phase field simulations for the study of phase coarsening have been performed for systems with different volume fractions.

Abstract: Coarse columnar dendrite greatly reduced the mechanical performance of GH3039 nickel-based alloy in the additive manufactured parts, which limited its application in the engineering fields. This study provides a comparison of overgrowth behaviors at diverging grain boundaries through two-dimensional phase field simulation, and the effect of dendrite orientation on overgrowth behavior was analyzed. Moreover, our results show that the primary spacing becomes larger as the increasing of dendrite orientation. The columnar dendrites branch new dendrites near grain boundaries to refine the primary arm spacing in the process of wire and laser additive manufacturing (WLAM).

Abstract: The effect of restored energy items in recrystallization simulation of AZ31 Mg alloy was studied with multi-order phase field model, and the impact factors during the recrystallization were discussed by changing the parameters of the restored energy item. The simulation results showed that the greater the restored energy, the greater the number of the recrystallized grains.

Abstract: MoSi₂/Mo₅Si₃ eutectic composites have been considered as one of the promising candidates for ultra-high temperature structural applications owing to their high melting point, good oxidation resistance, and low mass density. Their mechanical properties can be improved by controlling the eutectic structure (i.e. script lamellar structure) in directional solidification. It is important to elucidate the dominant factors underlining the unique pattern formation. We conducted a comprehensive phase field study to examine the influence of various factors on the MoSi₂/Mo₅Si₃ eutectic microstructure with complicated morphology. First, the inclined lamellae have been attributed to the minimization of elastic strain energy due to the lattice mismatch between MoSi₂ and Mo₅Si₃, which are partially relaxed by forming semi-coherent phase boundaries. Second, the maze-like pattern on the horizontal cross-section appeared when a two-fold anisotropy of interfacial energy is superimposed on the MoSi₂/Mo₅Si₃ boundary. Third, the random and intersected lamellae have been obtained by assuming the instability of the solid-liquid interface and introducing successive nucleation of Mo₅Si₃ phase. These findings provide guidance for manipulating the eutectic structure and act as footsteps for further theoretical investigation.

Abstract: In this paper, the effect of grain boundary energy in AZ31 Mg alloy with multi-order parameters phenomenological phase field model has been discussed during the progress of recrystallization. The average grain size of the recrystallization grain at a certain temperature and a certain restored energy but various grain boundary energies have been studied, and the simulated results show that the larger the grain boundary energy is, the larger the average grain size will be, and the speed of grain growth will increase with the increase of grain boundary energy. Additionally, temperature will also increase the grain growth rate.

Abstract: Unless corrected by so called anti-trapping currents, phase field models of solidification display a dependence upon the diffuse interface width, δ, used in the simulation. This is most commonly manifest as a reduction in solute partitioning, which is both growth velocity and interface width dependent, resulting in a serious impediment to quantitative simulation. However, such anti-trapping currents are often restricted to very simple materials thermodynamics, appropriate only to dilute ideal solutions. Here we propose a form of the anti-trapping current which can be implemented for arbitrary thermodynamics, including both Redlich-Kister solution phases and sub-lattice models for intermetallic growth. The effect of the new anti-trapping current is illustrated with respect to Pb dendrites growing from a Pb-Sn melt containing either 25% or 30% Sn. The new anti-trapping current is shown to render the solutions independent of the diffuse interface width both with regard to solute partitioning and other growth metrics such as solidification velocity and dendrite tip radius.

Abstract: Graded sintering is the fundamental process of fabricating functionally gradient cemented carbide (FGCC). The diffusion-induced mass transport in cemented carbide can result in the formation of gradient microstructure and thusly lead to gradual changes in micro property. So far, several types of FGCC have been developed, and the factors that can influence the gradient formation are complex. Section 2 introduces the process of forming diffusion-controlled near-surface layer in WC-Ti (C,N)-Co hardmetal as well as the kinetic modeling work that reveals the key factors for the layer formation. Section 3 reviews the dual properties carbide produced under carburization atmosphere, for which the carbon content is a main factor of the gradient thickness. There are two models describing this process, representing different mass-transport mechanism of the so-called liquid phase migration (LPM) process. In section 4, previous and new results of modeling LPM in different dimensions and scales are presented, and the diffusion-controlled nature of LPM are discussed.

Abstract: In this paper, we review our results from phase field simulations of tilted dendritic growth dynamics and dendrite to seaweed transition in directional solidification of a dilute alloy. We focus on growth direction selection, stability range and primary spacing selection, and degenerate seaweed-to-tilted dendrite transition in directional solidification of non-axially orientated crystals. For growth direction selection, the DGP law (Phys. Rev. E, 78 (2008) 011605) was modified through take the anisotropic strength and pulling velocity into account. We confirm that the DGP law is only validated in lower pulling velocity. For the stability range and primary spacing selection, we found that the lower limit of primary spacing is irrelative to the misorientation angle but the upper limit is nonlinear with respect to the misorientation angle. Moreover, predicted results confirm that the power law relationship with the orientation correction by Gandin et al. (Metall. Mater. Trans. A. 27A (1996) 2727-2739) should be a universal scaling law for primary spacing selection. For the seaweed-to-dendrite transition, we found that the tip-splitting instability in degenerate seaweed growth dynamics is related to the M-S instability dynamics, and this transition originates from the compromise in competition between two dominant mechanisms, i.e., the macroscopic thermal field and the microscopic interfacial energy anisotropy.

Abstract: The aim of the present study is to identify the ternary eutectic Mo-Si-B composition to produce directionally solidified materials, which are expected to have excellent high-temperature properties due to the well-defined microstructure. Different alloy compositions in the respective primary solidification areas of the phases were chosen to investigate the microstructural evolution. The results were compared to thermodynamic calculations of the liquidus projection and isopleth phase diagrams using the software FactSageTM. By carrying out these experiments the eutectic point was found to have a nominal composition of Mo-17.5Si-8B (at.%). In the next step, the eutectic alloy was directionally solidified by a zone melting (ZM) process. The evolution of a typical eutectic microstructure due to the growth of lamella-like structures is shown by microstructural investigations. Furthermore, we present a eutectic phase field model for the eutectic Mo-Si-B alloy. The equilibrium interface geometries and interface mobility were calculated using an isotropic model. The results are shown to be in an adequate conformity with the experimental observations.

Abstract: In order to investigate the effect of annealing temperature on oxygen clusters’ evolution in silicon wafer during low temperature annealing, a phase-field model and it’s algorithm were established, and the changes of the oxygen clusters’ structure, amount (concentration) and sizes were simulated at different annealing temperature. The results show that when the temperature varies from 923 to 1023K, the oxygen clusters with reasonable amount and average size can be gained; when the temperature is too higher or lower, the suitable oxygen clusters cannot be found; it is verified that the established model and its algorithm have credible thermodynamics and experimental basis.