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Effect of spatial heterogeneity on level of rejuvenation in Ni80P20 metallic glass
Authors:Tzu-Chia Chen  Mahyuddin KM Nasution  Abdullah Hasan Jabbar  Sarah Jawad Shoja  Waluyo Adi Siswanto  Sigiet Haryo Pranoto  Dmitry Bokov  Rustem Magizov  Yasser Fakri Mustafa  A. Surendar  Rustem Zalilov  Alexandr Sviderskiy  Alla Vorobeva  Dmitry Vorobyev  Ahmed Alkhayyat
Abstract:Understanding the relation between spatial heterogeneity and structural rejuvenation is one of the hottest topics in the field of metallic glasses (MGs). In this work, molecular dynamics (MD) simulation is implemented to discover the effects of initial spatial heterogeneity on the level of rejuvenation in the Ni$_{80}$P$_{20 }$MGs. For this purpose, the samples are prepared with cooling rates of $10^{10}$ K/s-$10^{12}$ K/s to make glassy alloys with different atomic configurations. Firstly, it is found that the increase in the cooling rate leads the Gaussian-type shear modulus distribution to widen, indicating the aggregations in both elastically soft and hard regions. After the primary evaluations, the elastostatic loading is also used to transform structural rejuvenation into the atomic configurations. The results indicate that the sample with intermediate structural heterogeneity prepared with 10$^{11}$ K/s exhibits the maximum structural rejuvenation which is due to the fact that the atomic configuration in an intermediate structure contains more potential sites for generating the maximum atomic rearrangement and loosely packed regions under an external excitation. The features of atomic rearrangement and structural changes under the rejuvenation process are discussed in detail.
Keywords:metallic glasses  mechanical properties  molecular dynamics simulation  disordered solids  
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