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中文摘要：
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。
英文摘要：
In order to investigate the diffusion and transition mechanism for Ag in Ag-Al supersaturated solid under oxygen atmosphere,the diffusion rate,temperature and process for Ag-Al-O phase transition were calculated by the molecular dynamics simulation.The calculated results show that there are conflict between precipitation of Ag and formation of compact alumina film during oxidation process,Ag precipitates quickly at 600 K in oxygen atmosphere,associated with the formation of the Ag2Al phase in Al-Ag solution.The model and calculation result were proved to be reasonable through experiment,Ag in nano scale could be controlled through the short path diffusion of Ag and formation of compact alumina film under reaction temperature.
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