A second order numerical scheme for the annealing of metal–intermetallic laminate composite: A ternary reaction system
A second order numerical scheme for the annealing of metal–intermetallic laminate composite: A ternary reaction system
复制标题
金属-金属间层状复合材料退火的二阶数值方案：三元反应系统
DOI：
10.1016/j.jcp.2018.07.040
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发表时间：
2018
影响因子：
4.1
通讯作者：
Cheng Wang
中科院分区：
文献类型：
--
作者：
Shenggao Zhou;Yu Wang;Xingye Yue;Cheng Wang
金属-金属间化合物层压板(MIL)复合材料是一种层合结构，它通过优化组成成分的独特优点来制造具有吸引力的物理和力学特性，如高强度、高刚度和高韧性。MIL复合材料的合成过程涉及多种金属元素在高温下的退火反应。在这项工作中，我们提出、分析并实现了一个三元金属反应系统的二阶半隐式退火格式。通过各种数值实验和预期精度测试，证明了这种数值格式的稳健性。在理论层面上，我们给出了详细的收敛分析，证实了在时间和空间离散上的二阶精度。并用该数值格式研究了Al-Fe-Ni三元系的退火过程。计算再现了富Al层和富Ni层在退火过程中的形成过程。计算结果以扩散路径的形式出现在三元相图中，与实验数据吻合较好。通过计算反应的速率常数和动力学指数，研究了两层膜的生长动力学。并对不同层间的界面形态进行了深入的研究。计算结果表明，该数值格式是预测三元反应体系退火过程中微观组织演变的有效工具。
Metal–Intermetallic Laminate (MIL) composites are laminate structures that are fabricated by optimizing unique benefits of constituent components to have attractive physical and mechanical features, such as high strength, stiffness, and toughness. The synthesis of MIL composites involves annealing reaction of multiple metallic elements at high temperatures. In this work, we propose, analyze, and implement a second-order semi-implicit scheme for the annealing of a ternary metallic reaction system. The robustness of such a numerical scheme is demonstrated by various numerical experiments, as well as the expected accuracy tests. At the theoretical level, we provide a detailed convergence analysis, which confirms the second-order accuracy in both the temporal and spatial discretization. Moreover, this numerical scheme is used to study the annealing process of the Al–Fe–Ni ternary system. The computation reproduces the formation of the Al-rich and Ni-rich layers in the annealing process. We present the computational results as diffusion paths in a ternary phase diagram, with a nice agreement with that of experimental data. We also study the growth kinetics of the two layers by calculating the rate constant and kinetic exponent of the reaction. The morphology of interfaces between different layers is thoroughly investigated as well. The computational results indicate that the numerical scheme is an effective, useful tool for predicting the microstructure evolution in the annealing process of a ternary reaction system.