硅和镁质量分数对Al-Si-Mg合金机械力学性能参数影响的计算分析  

Calculation and analysis of the influence of Si and Mg content on the mechanical performance parameters of Al-Si-Mg alloy

作　　者：郭柔 刘文豪 薛预超 马瑞杰 胡心平[1] GUO Rou;LIU Wenhao;XUE Yuchao;MA Ruijie;HU Xinping(Faculty of Mechanical Engineering,Qilu University of Technology(Shandong Academy of Sciences),Jinan 250353,China)

机构地区：[1]齐鲁工业大学(山东省科学院)机械工程学部,山东济南250353

出　　处：《齐鲁工业大学学报》2024年第4期30-35,共6页Journal of Qilu University of Technology

基　　金：山东省科技型中小企业创新能力提升工程(2022TSGC2411);院地产学研协同创新基金(2021CXY-10)。

摘　　要：基于第一性原理,利用CASTEP模块,通过虚拟晶体近似的方法建模,采用GGA+PBE泛函关联函数,研究了Al-Si7-Mg X(X=0.1~0.5)、Al-Si X-Mg0.3(X=6~9)合金中的Si、Mg质量分数的变化对机械力学性能参数的影响。研究表明,随着研究组元质量分数的增加,晶格常数有所减小,最大值与最小值相差约0.265%;弹性常数C_(11)、C_(12)、C_(44)满足结构稳定性条件;体积模量B、剪切模量G、杨氏模量E、泊松比u随着A356中Si、Mg质量分数变化而变化;Mg质量分数的变化对剪切模量G、杨氏模量E的影响比Si质量分数的变化更敏感。计算结果与现有实验数据对比表明,计算结果接近实验数据,第一性原理计算Al-Si-Mg合金材料参数可行。Based on the First Principles,using the CASTEP module and virtual crystal approximation model,utilizing GGA+PBE functional correlation function,the influence of composition on mechanical properties parameters in AlSi7Mg X(X=0.1~0.5)and AlSi X Mg0.3(X=6~9)alloys was studied.It is shown that the lattice constant decreases with the increase of the content of the alloy elements,and there exists a difference of approximately 0.265%between the maximum and minimum values;the elastic constants C_(11),C_(12),and C_(44) meet the structural stability conditions.The volume elastic modulus B,shear modulus G,Young s modulus E,and Poisson s ratio u vary with Si and Mg content in A356 alloy.The change of Mg content has a more sensitive effect on the shear modulus G and Young s modulus E than the change of Si content.The comparison between the calculation results and existing experimental data shows that the calculation results are close to the experimental data,and it is feasible by using the First Principles to calculate the material parameters.

关 键 词：第一性原理 Al-Si-Mg 晶格常数 弹性模量 泊松比 

分 类 号：TG146.2[一般工业技术—材料科学与工程]