The effect of enthalpy of mixing on the atomic level structure and plasticity of amorphous alloys: A molecular dynamics simulation study in a binary model system

Y. S. Yun, B. J. Kim, J. H. Na, H. S. Nam, P. R. Cha, W. T. Kim, D. H. Kim

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

Molecular dynamics simulations were performed to investigate the effect of the enthalpy of mixing on the atomic level structure and plasticity of binary metallic glasses by using an ideal model potential. Whereas some model alloys with a strong positive enthalpy of mixing solidified into mixtures of microcrystalline domains of face-centered cubic or hexagonal close-packed crystal structures, the other alloys solidified into amorphous structures. Various structural properties of the amorphous alloys were analyzed as a function of the enthalpy of mixing interaction parameter. The deformation behavior of the amorphous samples was discussed in terms of atomic-level structural features such as the fraction of icosahedral clusters, the degree of short-range ordering and potential energies of atomic clusters in order to find a clue on the relationship between the mechanical properties and atomic structure of the amorphous alloys.

Original languageEnglish
Pages (from-to)25-35
Number of pages11
JournalIntermetallics
Volume92
DOIs
Publication statusPublished - 2018 Jan

Bibliographical note

Funding Information:
This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Ministry of Science and ICT ( 2016R1A2B2013838 , 2017R1A2B4012871 ). Y.S. Yun acknowledges the support from the six times Stage of Brain Korea 21 Project in 2011. H.-S. Nam and P.-R. Cha acknowledge the support from the Priority Research Centers Program ( 2009-0093814 ) and the support from the National Research Foundation of Korea (NRF) funded by the Ministry of Science and ICT ( 2015R1A2A2A01007430 and 2016M3D1A1027665 ). W.T. Kim acknowledges the support from Cheongju University through 2017 sabbatical leave program.

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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