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采用分子动力学的方法研究了Al-Ag合金粉末在氧化气氛进行热处理的物相转变与扩散行为,着重对物相扩散速率、转变温度、Ag-Al2O3物相转变过程进行了研究。结果表明:O原子与Al原子的相互作用为Ag原子的扩散提供动力,Ag的析出与Al2O3致密氧化膜的形成相互冲突,在600 K氧化气氛下合金粉末中Ag的析出速率大,内部形成Ag2Al相。实验结果验证了模型设计与计算结果的合理性,表明通过控制反应温度、Al2O3致密氧化膜的形成和Ag的短路径扩散能够控制Ag在纳米尺度内。
The phase transformation and diffusion behavior of Al-Ag alloy powders during heat treatment in an oxidizing atmosphere were investigated by molecular dynamics method. The phase diffusion rate, transition temperature and phase transformation of Ag-Al2O3 were emphatically studied. The results show that the interaction between O atom and Al atom provides a driving force for the diffusion of Ag atoms. The precipitation of Ag and the formation of Al2O3 dense oxide film are in conflict with each other. The precipitation rate of Ag in the alloy powder is large at 600 K and the formation of Ag2Al phase. The experimental results verify the rationality of the model design and calculation results. It is shown that Ag can be controlled in nanoscale by controlling the reaction temperature, the formation of Al2O3 dense oxide film and the short-path diffusion of Ag.