粉末冶金Al-1.1Sc和Al-2SC合金晶体结构的实验和第一性原理研究(英文)

• 作 者: Hamza Yasar OCAK Ercan UGUN Rahmi NAL
• 机 构: Department of Physics, Faculty of Arts and Sciences, Dumlupinar University,Mechanical Engineering De
• 出 处: Transactions of Nonferrous Metals Society of China
• 发表日期: 2013年10期
• 关键词: 合金 Al-Sc合金 晶格常数 弹性性能 从头计算 力学性能 第一性原理 气体雾化 合金颗粒 合金样品

采用气体雾化合金颗粒制备Al-1.1%Sc和Al-2%Sc合金。采用X射线衍射分析合金样品以确定样品的晶格参数。利用这些晶格参数,分别通过WIEN2K和EMTO程序对该合金的力学性能进行理论计算。将实验得到的合金的弹性模量和理论计算结果进行比较。讨论了计算得到的Al3Sc相和Al-Sc合金的力学性能以确定Al-Sc合金中最佳的Sc含量。结果表明,最高的Sc含量约为1.0%,更多的Sc不能提高合金的力学性能。

Al-1.1% Sc and Al-2% Sc alloys were prepared using gas atomized alloy particles. The alloy samples were analyzed by X-ray diffraction to determine the lattice parameters of the samples. Using these lattice parameters, the mechanical properties of the alloy were theoretically calculated by WIEN2K and EMTO programs respectively. The experimental results of the alloy elastic modulus and theoretical calculations were compared. The calculated mechanical properties of Al3Sc and Al-Sc alloys were discussed to determine the best Sc content in Al-Sc alloy. The results show that the highest Sc content is about 1.0%, and more Sc can not improve the mechanical properties of the alloy.