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金属学报  2002 

内应力对金属薄膜生长织构的影响

, PP. 795-798

Keywords: 薄膜,织构,分子动力学

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Abstract:

基于FS型原子镶嵌势(EAM势)用分子动力学模拟了金属多晶薄膜的原子沉积生长过程,通过预设恒定应变在薄膜生长过程中引入了单轴压应力,模拟研究了应力对呈丝织构的多晶薄膜中晶粒沿丝轴旋转取向择优的影响.模拟结果表明,在固定压应变条件下,最密排方向偏离压应力轴的晶粒较为优先生长发展;在生长过程中,取向择优的晶粒从沉积表面开始逐渐扩张吞并相邻晶粒.模拟结果还显示,这种生长织构的发展随沉积膜厚增加有显著的临界特征;在织构发展过程中被吞并的晶粒局部出现孪晶,继而转换为择优生长晶粒的结构;在被吞并的晶粒最终消失处将会留下失配位错.

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