A phase-field method coupled with CALPHAD for the simulation of ordered -carbide precipitates in both disordered and phases in low density steel

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• 作者：Aireza Rahnama ; ^{a.rahnama@warwick.ac.uk" class="auth_mail" title="E-mail the corresponding author} ; ^{alirezarahnama@ymail.com" class="auth_mail" title="E-mail the corresponding author} ; Richard Dashwood ; Seetharaman Sridhar
• 关键词：00-01 ; 99-00
• 刊名：Computational Materials Science
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：126
• 期：Complete
• 页码：152-159
• 全文大小：1044 K

文摘

In order to simulate multi-component diffusion controlled precipitation of ordered phases in low density steels using the phase-field method, the Gibbs free energy of the a4db" title="Click to view the MathML source">γ,α$\gamma \text{,}\alpha$ and e6ec706a0f2f0321bf707a1a723806" title="Click to view the MathML source">κ$\kappa$ phases in the quaternary Fe-Mn-Al-C system was linked to the CALPHAD method using a three-sublattice model which is based on the accumulation of considerable thermodynamic data in multi-component systems and the assurance of continuous variation of the interface area. This model includes the coherent precipitation of e6ec706a0f2f0321bf707a1a723806" title="Click to view the MathML source">κ$\kappa$ phase from a disordered FCC e543a398efb4cfe505856" title="Click to view the MathML source">γ$\gamma$ phase and semi-coherent precipitation of the same e6ec706a0f2f0321bf707a1a723806" title="Click to view the MathML source">κ$\kappa$ phase from a disordered BCC e7abbff49bdb50d1c21966436" title="Click to view the MathML source">α$\alpha$ structure. The microstructure evolution of e6ec706a0f2f0321bf707a1a723806" title="Click to view the MathML source">κ$\kappa$-carbide was simulated with three-dimensional phase-field model. The simulation was first performed for a single particle in both e543a398efb4cfe505856" title="Click to view the MathML source">γ$\gamma$ and e7abbff49bdb50d1c21966436" title="Click to view the MathML source">α$\alpha$ phases to investigate the evolution of interfacial and elastic strain energy during the precipitation process. The simulation results show that e6ec706a0f2f0321bf707a1a723806" title="Click to view the MathML source">κ$\kappa$ has a cuboidal morphology in e543a398efb4cfe505856" title="Click to view the MathML source">γ$\gamma$ and elongated plate-like morphology in e7abbff49bdb50d1c21966436" title="Click to view the MathML source">α$\alpha$ which is in agreement with the morphologies reported in the literature. The multi-particle simulations were also performed for the precipitation of e6ec706a0f2f0321bf707a1a723806" title="Click to view the MathML source">κ$\kappa$ phase from both disordered e543a398efb4cfe505856" title="Click to view the MathML source">γ$\gamma$ and e7abbff49bdb50d1c21966436" title="Click to view the MathML source">α$\alpha$. The results also demonstrate that the size of e6ec706a0f2f0321bf707a1a723806" title="Click to view the MathML source">κ$\kappa$ precipitates in e543a398efb4cfe505856" title="Click to view the MathML source">γ$\gamma$ is remarkably smaller than that in e7abbff49bdb50d1c21966436" title="Click to view the MathML source">α$\alpha$ phase.