Reaction characteristics and iron aluminides products analysis of planar interfacial Al/α-Fe₂O₃ nanolaminate

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• 作者：Li-Zhu Lin^a ; Xin-Lu Cheng^a ; ^b ; ^{chengxl@scu.edu.cn} ; Bo Ma^a ; ^c
• 关键词：Nanothermite reaction ; Reaxff MD ; Activation energy ; Iron aluminides
• 刊名：Computational Materials Science
• 出版年：2017
• 出版时间：1 February 2017
• 年：2017
• 卷：127
• 期：Complete
• 页码：29-41
• 全文大小：6596 K
• 卷排序：127

文摘

Reaction will start when the initial distance among participating reactants is shorter than the minimum initial distance of reaction that initiates reaction initialization through excellent physical interfacial contact. 2D distribution binning in the xy plane and the average bond length analysis based on ReaxFF MD trajectories reveal reaction characteristics and iron aluminides products.