高级检索

    不同拉伸方向下单晶镁的分子动力学模拟

    Molecular Dynamics Simulation of Single Crystal Magnesium in Different Tensile Directions

    • 摘要: 采用分子动力学模拟方法,在温度300 K、应变速率109 s−1条件下,从原子尺度研究了不同拉伸方向(0001和112¯0晶向)对单晶镁拉伸性能以及变形机制的影响。结果表明:单晶镁的拉伸行为表现出各向异性;沿0001晶向拉伸的弹性模量、屈服强度以及发生塑性变形需克服的势能垒较大,出现二次屈服现象,在此方向较难变形,其变形机制为第一次屈服由101¯2拉伸孪晶形核和生长主导,第二次屈服由101¯2-101¯1二次孪晶主导;沿112¯0晶向拉伸的弹性模量、屈服强度和发生塑性变形需克服的势能垒较小,只有一次屈服,在此方向较易变形,其变形机制为初始屈服由101¯1压缩孪晶形核并长大主导,随后在晶体内位错与孪晶的相互作用下出现孪晶界局部应力集中。

       

      Abstract: The effects of different tensile directions (0001 and 112¯0 crystal directions) on the tensile properties and plastic deformation mechanism of single crystal magnesium at the temperature of 300 K and strain rate of 109 s−1 were studied by molecular dynamics simulation method. The results show that the tensile behavior of single crystal magnesium showed anisotropy. The elastic modulus, yield strength and potential energy barrier that plastic deformation needed to overcome along the 0001 crystal direction were large, and twice yield occurred; deformation was difficult in this direction. The mechanism of plastic deformation along 0001 crystal direction was that the first yield was dominated by the nucleation and growth of the 101¯2 tensile twin, and the second yield was dominated by the 101¯2-101¯1 secondary twin. The elastic modulus, yield strength and potential energy barrier that plastic deformation needed to overcome along the 112¯0 crystal direction were small, and there was only one yield; deformation was easy in this direction. The tensile plastic deformation mechanism along 112¯0 crystal direction was that the initial yield was dominated by the nucleation and growth of the 101¯1 compression twin, and then the local stress concentration at twin boundaries occurred under the interaction between dislocations and twin crystal in the crystal.

       

    /

    返回文章
    返回