Atomic bonding and mechanical properties of Al-Li-Zr alloy

摘要：

The atomic bonding of Al-Li alloy with minor Zr is calculated according to the “Empirical Electronic Theory in Solid(EET).The result shows that the stronger interaction between Al and Zr atoms, which leads to form the Al-Zr segregation regions, promotes the precipitation of Al3Zr particles and produces a remarkable refinement for Al3Li grain in alloy. Because there are the strongest covalent Al-Zr bond in Al3Zr and Al3(Zr, Li) particles, which is not easily sheared by dislocations, these covalent bonds can make a great resistant for dislocation moving, and is favorable to strengthen the alloy. On the other hand, with precipitating the Al3(Zr, Li) particles, it causes the coherent interphase boundary energy of Al/Al3Li to decrease, and atomic bonding is well united in between the interface of two phases. In this case, the intensity of atomic covalent bonding network in the whole alloy is much stronger than that in pure Al metal, and it gets the higher modulus.

关键词： Al-Li-Zr alloys Atomic bonding Mechanical property Simulation

作者: Ying-jun Gao Li-na Zhang Chen Hua-ning Chuang-gao Huang Qi-feng Mo

作者单位: School of Physics Science and Engineering, Guangxi University, Nanning 530004, China;Central of Inte School of Physics Science and Engineering, Guangxi University, Nanning 530004, China

会议类型: 国际会议

会议名称: The Fifth International Conference on Physical and Numerical Simulation of Materials Processing(第五届材料与热加工物理模拟及数值模拟国际会议)

会议地点: 郑州

会议语种:英文

在线出版日期: 2007-10-23（万方平台首次上网日期，不代表论文的发表时间）