Al-Mg-Si合金GP区的键络结构与界面能分析

来源期刊：有色金属2011年第2期

论文作者：王庆松 郑发农 王兴林 沈洋 江安

文章页码：1 - 5

关键词：金属材料； Al-Mg-Si合金； GP区； 价电子结构； 界面能

Key words：metal material； Al-Mg-Si alloy； GP zone； valence electron structure； interfacial energy

摘    要：运用固体与分子经验电子理论,计算Al-Mg-Si合金L1₀型GP区的价电子结构,运用硬球模型,对该体系的GP区(L1₀型)与基体之间的界面能进行预测。计算结果表明,GP区具有较强的共价键络,是该合金时效硬化的主要原因。GP区中Mg-Mg原子之间的结合倾向最大,是时效初期GP区形成片状的内在原因。GP区随时效温度升高而键强减弱,从而热稳定性降低。GP区与基体的共格界面能比基体晶粒间的界面能低,是GP区形成和生长的有利条件。

Abstract: The valence electron structures of the GP zone of L1₀-form in Al-Mg-Si alloy are calculated by using empirical electron theory in solid and molecules (EET).And the interfacial energy between GP zone and matrix is predicted by using of the hardball model.The results show that the strong covalence bond-net in the GP zone is the major cause of strengthening for matrix.The maximal tendency to the unite between Mg and Mg atoms in GP zone caused GP zone to develop into plate.The decline of heat-stability of the GP zone is because of the weakening of atom bonding with the increase of the aging temperature.And the lower interfacial energy between GP zone and matrix is beneficial to growth of GP zone.