AZ31B/6061异种合金搅拌摩擦焊接头界面组成相与第一性原理计算
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摘要
采用基于密度泛函理论的Castep和Dmol程序软件包,计算了采用Sn作为中间夹层的AZ31B/6061异种合金搅拌摩擦焊接头界面各种金属间化合物的结构稳定性与弹性性能,利用微机控制万能试验机、XRD衍射仪检测接头性能和相组成。计算结果表明:Mg_2Sn具有最强的合金化形成能力,AlSn具有最好的结构稳定性;在298～773 K温度范围内,Mg_2Sn的Gibbs自由能始终最小,生成反应更容易进行,Mg_2Al_3、Mg_(17)Al_(12)次之,AlSn最差;Mg_(17)Al_(12)和Mg_2Sn均为脆性相, Mg_2Al_3为塑性相。实验结果表明:加入Sn后,接头拉剪强度最大达51.2 MPa,焊缝处存在的金属间化合物有Mg_(17)Al_(12)、Mg_2Al_3、Mg_2Sn。
The structural stability and elastic properties of various intermetallic compounds at the interface of friction stir welded joint of AZ31 B/6061 dissimilar alloy with Sn as intermediate interlayer were calculated by Castep and Dmol software package based on density functional theory. With the help of microcomputer control universal testing machine and XRD diffractometer, the properties and phase composition of the joint were tested. The computation results show that Mg_2Sn has the strongest alloying formation ability, and Al Sn has the best structural stability. In 298-773 K temperature ranges, Mg_2Sn's Gibbs free energy is always the least, the formation reaction is easier to carry out. The next is Mg_2Al_3, Mg_(17)Al_(12) and Al Sn is the worst.Mg_(17)Al_(12) and Mg_2Sn are all brittle phases. Mg_2Al_3 is a plastic phase. The experimental results indicate that after adding Sn, the maximum tensile shear strength of the joint reaches 51.2 MPa. Mg_(17)Al_(12), Mg_2Al_3 and Mg_2Sn intermetallic compounds exist in the weld.
The structural stability and elastic properties of various intermetallic compounds at the interface of friction stir welded joint of AZ31 B/6061 dissimilar alloy with Sn as intermediate interlayer were calculated by Castep and Dmol software package based on density functional theory. With the help of microcomputer control universal testing machine and XRD diffractometer, the properties and phase composition of the joint were tested. The computation results show that Mg_2Sn has the strongest alloying formation ability, and Al Sn has the best structural stability. In 298-773 K temperature ranges, Mg_2Sn's Gibbs free energy is always the least, the formation reaction is easier to carry out. The next is Mg_2Al_3, Mg_(17)Al_(12) and Al Sn is the worst.Mg_(17)Al_(12) and Mg_2Sn are all brittle phases. Mg_2Al_3 is a plastic phase. The experimental results indicate that after adding Sn, the maximum tensile shear strength of the joint reaches 51.2 MPa. Mg_(17)Al_(12), Mg_2Al_3 and Mg_2Sn intermetallic compounds exist in the weld.
引文
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[3]郁炎,张建欣,李士凯.国内外异种材料搅拌摩擦焊的研究现状及发展趋势[J].兵器材料科学与工程,2013,36(6):108-113.
[4]王彦辉,赵丽,邓威,等.添加Cu箔后搅拌摩擦焊镁/铝异种合金的组织与性能[J].特种铸造及有色合金,2016,36(11):1187-1190.
[5]Aonuma M,Nakata K.Aonuma M,et al.Effect of alloying elements on interface microstructure of Mg-Al-Zn magnesium alloys and titanium joint by friction stir welding[J].Materials Science&Engineering B,2009,161(1):46-49.
[6]张贵锋,赵欢,王士元.铝/钛(Al/Ti)散热器的搅拌摩擦钎焊新技术研究[J].现代焊接,2013(8):26-30.
[7]付邦龙.铝合金/镁合金异种金属搅拌摩擦焊接工艺[D].济南:山东大学,2015.
[8]Wang N,Yu W Y,Tang B Y,et al.Structural and mechanical properties of Mg17Al12and Mg24Y5from first-principles calculations[J].Journal of Physics D:Applied Physics,2008,41(19):195408.
[9]Zhang M X,Kelly P M,Qian M,et al.Crystallography of grain refinement in Mg-Al based alloys[J].Acta Materialia,2005,53(11):3261-3270.
[10]Ganeshan S,Shang S L,Zhang H,et al.Elastic constants of binary Mg compounds from first-principles calculations[J].Intermetallics,2009,17(5):313-318.
[11]陈律,彭平,李贵发,等.B2-RuAl点缺陷结构的第一原理计算[J].稀有金属材料与工程,2006,35(7):1065-1070.
[12]杨晓敏,侯华,赵宇宏,等.Mg17Al12、Al2Y及Al2Ca相稳定性与弹性性能第一原理研究[J].稀有金属材料与工程,2014,43(4):875-880.
[13]刘震磊,催祜涛,姬书得,等.6061/AZ31B异种材料FSW过程的温度场研究[J].热加工工艺,2016,45(13):206-208.
[14]Zhou D W,Liu J S,Xu S H,et al.Thermal stability and elastic properties of Mg3Sb2,and Mg3Bi2,phases from first-principles calculations[J].Physica B Condensed Matter,2010,405(13):2863-2868.
[15]Vajeeston P,Ravindran P,Hauback B C,et al.Prediction of crystal structure,lattice dynamical,and mechanical properties of Ca BH[J].International Journal of Hydrogen Energy,2011,36(16):10149-10158.