An Electronic Approach to the Prediction of the Mechanical Properties of Aluminium Alloys and its Application to the Design of High Strength Alloys

预测铝合金机械性能的电子方法及其在高强度合金设计中的应用

• 批准号: 04555172
• 负责人: MORINAGA Masahiko
• 金额: $ 3.58万
• 依托单位: Toyohashi University of Technology
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Developmental Scientific Research (B)
• 财政年份: 1992
• 资助国家: 日本
• 起止时间: 1992 至 1994
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-04555172/
• 关键词: Aluminium Alloys; Mechanical Properties; Electronic Structure; Molecular Orbital Method; Alloy Design

A quantitative method for predicting the mechanical properties of aluminium alloys was proposed on the basis of the molecular orbital calculation of electronic structures. A new parameter which is the s-orbital energy level, Mk, of alloying elements in aluminium was introduced into this method. The compositional average of this parameter varied linearly with the yield strength and the tensile strength of commercially available wrought aluminium alloys with multiple components. Both the strain hardening and the precipitation hardening of the alloys were also treated well in terms of this parameter alone.Furthermore, in order to understand stress corrosion cracking (SCC), local distributions of Mg atoms were investigated experimentally in Al-Mg based alloys. There was a deficient Mg region in the vicinity of beta precipitates in the grain-boundaries of these alloys. This is probably attributable to the occurrence of SCC in them because of the very weak yield strength of this region in the SCC circumstance. In addition, it was shown from the molecular orbital calculations that there is the possibility of improving the SCC resistance by the addition of Cr, Ti and Nb into aluminium alloys. Finally, employing these results several high strength aluminium alloys were designed successfully.

提出了一种基于电子结构分子轨道计算的铝合金力学性能定量预测方法。该方法引入了一个新参数，即铝中合金元素的 s 轨道能级 Mk。该参数的成分平均值与市售多种成分的变形铝合金的屈服强度和拉伸强度呈线性变化。仅就该参数而言，合金的应变硬化和沉淀硬化也得到了很好的处理。此外，为了理解应力腐蚀开裂（SCC），对Al-Mg基合金中Mg原子的局部分布进行了实验研究。这些合金的晶界中的β析出物附近存在一个缺镁区域。这可能归因于其中发生应力腐蚀开裂（SCC），因为在应力腐蚀开裂情况下该区域的屈服强度非常弱。另外，分子轨道计算表明，在铝合金中添加Cr、Ti、Nb有可能提高抗SCC性能。最后，利用这些结果成功设计了几种高强度铝合金。

项目成果

H.Yukawa,M.Morinaga and Y.Takahashi: "Interactions between Hydrogen and Solute Atoms in Aluminium Alloys" Proc.of the 3rd IUMRS International Conference on Advanced Materials,Tokyo,Aug.3l-Sept.4(1993) 印刷中. (1994)

H. Yukawa、M. Morinaga 和 Y. Takahashi：“铝合金中氢与溶质原子的相互作用”，第三届 IUMRS 国际先进材料会议论文集，东京，8 月 3l-9 月 4 日（1993 年）。 (1994)

二宮隆二、湯川宏、森永正彦: "電子論を用いた軽合金材料の機械的性質の評価と設計" 軽金属. 44(印刷中). (1994)

Ryuji Ninomiya、Hiroshi Yukawa、Masahiko Morinaga：“利用电子理论评估和设计轻合金材料”44（出版中）。

H.Yukawa,M.Morinaga and Y.Takahashi: "Simulation of Electronic Structures for Understanding Alloying Behaviour of Aluminium" International Conference on Computer-assisted Materials Design and Process Simulation,Tokyo,ISIJ. 249-254 (1993)

H.Yukawa、M.Morinaga 和 Y.Takahashi：“模拟电子结构以了解铝的合金化行为”计算机辅助材料设计和过程模拟国际会议，东京，ISIJ。

M.Morinaga and S.Kamado: "An Electronic Approach to the Prediction for the Mechanical Properties of Aluminium Alloys" Modelling Simul.Mater.Sci.Eng.1. 151-164 (1993)

M.Morinaga 和 S.Kamado：“预测铝合金机械性能的电子方法”模拟 Simul.Mater.Sci.Eng.1。

M.Morinaga and S.Kamado: "An Electronic Approach to the Prediction for the Mechanical Properties of Aluminium Alloys" Modelling and Simulation in Materials Science and Engineering,in press. (1993)

M.Morinaga 和 S.Kamado：“预测铝合金机械性能的电子方法”材料科学与工程中的建模与仿真，已出版。