A Molecular Dynamics Study on Amorphous Formation and Crystallization of Ag-Cu Eutectic Alloys

作者: 黄 维 , 梁工英 :西安交通大学理学院材料物理系,西安;

关键词: 分子动力学模拟晶化转变组织形貌公共近邻分析(CNA) Molecular Dynamics Simulation Crystallization Morphology Common Neighbor Analysis (CNA)



Abstract: The crystallization of Ag-Cu alloys was studied by molecular dynamics method (MD) with embedded atom potential (EAM). The structural developments of Ag-Cu alloys were analyzed based on the variations of internal energy, common neighbor analysis (CNA), and atomic visualization technique. The simulation results showed that with the increase in Cu composition, the critical cooling rate of amorphous formation decreased and the glass-transition temperature of amorphous increased under the same heating rate. The results of CNA showed that the amorphous structure is main, and a few crystal clusters (bcc and fcc) are in it. Among the amorphous bond pairs, the pairs 1551 increases with the increase in Cu composition, which is the character of regular icosahedrons cluster. Meanwhile, the pairs 1541 and 1431, which are the character of defect icosahedrons clusters, reduce correspondingly. These show that the stability of amorphous increases. With the increase in Cu composition, the pairs 1441, 1661 and 1421 are all reduced, the 1441 and 1661 decrease little and the 1421 decreases great, which implies that the nuclei reduce during the crystallization of amorphous and the glass-transition temperature increases. After crystallization, the fcc structure is dominant but there are a few defect icosahedrons clusters between the eutectic boundaries. Moreover, the eutectic structure of Ag-Cu alloys can be transformed from solid solution, net-like into the lamellar morphologies with composition during the solidification and crystallization.

文章引用: 黄 维 , 梁工英 (2013) Ag-Cu共晶合金非晶转变及晶化的分子动力学模拟。 应用物理, 3, 149-154. doi: 10.12677/APP.2013.38028


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