蒋淑英,李世春

• 1:中国石油大学(华东)机电工程学院

摘要(Abstract)：

应用固体与分子经验电子理论,计算了Al-Cu系各相的价电子结构、键能、结合能、形成焓和有效生成热,并应用计算结果对Al/Cu固相界面的扩散反应进行了预测。结果表明,在Al/Cu固相界面扩散反应的初始阶段,Cu为限制元素,根据初生相有效生成热判据,Al2Cu相在Al/Cu界面最先生成;随界面缺陷消失和Al2Cu相层形成,界面有效元素浓度不断提高,热力学驱动力将超过动力学限制,在保温时间足够长情况下,后续相将按照热力学驱动力的大小依次生成Al4Cu9、AlCu、Al3Cu4、Al2Cu3,界面反应生成相预测结果与实验结果吻合。

关键词(KeyWords)： 经验电子理论;价电子结构;结合能;形成焓;有效生成热;界面反应预测

Abstract:

Keywords:

基金项目(Foundation): 山东省自然科学基金(ZR2011EL023);; 中央高校基本科研业务费专项资金(12CX04057A)

作者(Author): 蒋淑英,李世春

DOI: 10.13289/j.issn.1009-6264.2014.08.037

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