相异相似元素对Zr-Cu非晶合金熔体凝固过程影响

本文通过分子动力学模拟,使用平均五次对称、平均团簇尺寸、平均团簇寿命、自扩散系数、剪切黏度等方法表征相异及相似元素对Zr-Cu体系非晶合金熔体凝固过程中原子结构和动力学的影响.相异元素替换导致Zr-Cu非晶合金熔体凝固过程中的原子排列结构和动力学过程都发生明显改变,进而使其非晶形成能力得到提高;而显著提高非晶形成能力的相似元素替换对Zr-Cu体系非晶合金熔体凝固过程中原子排列结构没有显著影响,但导致动力学过程变慢,这表明动力学显著影响合金体系的非晶形成能力.

Effect of dissimilar and similar element substitution on solidification of Zr-Cu metallic glass liquid

The effects of dissimilar and similar element substitution on atomic structure and dynamics of Zr-Cu metallic glass liquid were studied by molecular dynamics simulation.The five-fold local symmetry,average of cluster size,average of cluster time,self-diffusion coefficient and shear viscosity were used to character the atomic structure and dynamics.With the dissimilar element substitution,the local structure and dynamics obviously change,resulting in the improvement of glassforming ability.The change of atomic structure is small after the similar element substitution.Therefore,the outstanding variation of dynamics enhances the glass-forming ability induced by similar element substitution.