Networked interpenetrating connections of icosahedra: Effects on shear transformations in metallic glass

Mirim Lee, Chang Myeon Lee, Kwang Ryeol Lee, Evan Ma, Jae Chul Lee

Research output: Contribution to journalArticlepeer-review

197 Citations (Scopus)


The local structures of metallic glasses have been analyzed previously in term of various types of short-range order (SRO). However, the SRO alone, neglecting the interconnection of neighboring icosahedra to medium range and beyond, is insufficient to account for the structure-property relationship in metallic glasses. In this study, we use molecular dynamics (MD) simulations of Cu-Zr binary metallic glasses to examine the effects of the next level of structural hierarchy: the interpenetrating connection of icosahedra (ICOI) and the linkage of the medium-range ICOI patches to form networks of icosahedra over extended range. The mechanical properties of these metallic glasses, especially the shear transformations that mediate plasticity, are found to be dependent on the degree of ICOI and development of the ICOI network. The evolution of the ICOI network during shear deformation, as well as the composition dependence, has been monitored and discussed.

Original languageEnglish
Pages (from-to)159-170
Number of pages12
JournalActa Materialia
Issue number1
Publication statusPublished - 2011 Jan

Bibliographical note

Funding Information:
JC acknowledges the support of the National Research Foundation of Korea under Award of 2009-0081023. EM is supported at JHU by US-NSF-DMR-0904188. A major part of the present computation was carried out using the Grand Cluster Supercomputer at KIST.


  • Amorphous alloy
  • Metallic glass
  • Molecular dynamics
  • Plasticity
  • Short-(medium-)range order

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Polymers and Plastics
  • Metals and Alloys


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