Composition-Driven Atomic Ordering and Glass-Forming Ability of Fe₈₅Zr₁₀Ni₅ and Fe₈₈Zr₁₀Ni₂ Metallic Glasses: Insights from Molecular Dynamics Simulations

@article{1720194,
      author = {Anik Shrivastava},
      title = {Composition-Driven Atomic Ordering and Glass-Forming Ability of Fe₈₅Zr₁₀Ni₅ and Fe₈₈Zr₁₀Ni₂ Metallic Glasses: Insights from Molecular Dynamics Simulations},
      journal = {Iconic Research And Engineering Journals},
      year = {2023},
      volume = {7},
      number = {4},
      pages = {799-805},
      issn = {2456-8880},
      url = {https://www.irejournals.com/formatedpaper/1720194.pdf},
      abstract = {Molecular dynamics simulations are used to investigate the glass forming ability (GFA) and atomic ordering of Fe85Zr10Ni5 and Fe88Zr10Ni2 metallic glass alloys. Structural evolution during fast quenching was studied by means of radial distribution functions and Voronoi tessellation. Both alloys exhibited amorphous features with a strong short range order characterized by distorted icosahedral and Kasper-type polyhedral and reduced glass transition temperature (Trg). Fe85Zr10Ni5 showed higher glass transition temperature Tg = 773K, Trg = 0.571 than Fe88Zr10Ni2 Tg = 752 K, Trg = 0.553, indicating better glass forming ability. The results show that the increase of Ni content improves the local atomic ordering and packing efficiency, thus leading to the improvement of the glass stability. These results provide atomistic insights into the composition-dependent glass formation of Fe-Zr-Ni metallic glasses},
      keywords = {molecular dynamics, radial distribution function, metallic glass, kasper-type polyhedral},
      month = {October},
  }