Pressure dependence of the structure of liquid NiTi: A molecular dynamics study

Rizal Arifin*, Muhammad Malyadi, Munaji, Ghulam Asrofi Buntoro, Darminto

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)


We evaluate the structure of liquid NiTi under various pressures from 0 GPa to 40 GPa in the atomic level using molecular dynamics simulations. The structure factor and radial distribution function are used to investigate the general structural change of the system. Further identification of the local structures is examined by the bond-angle method and bond-angle distribution analysis. From our results, we found that the count of the local structure of fcc, hcp, bcc, and icosahedral short-range order monotonically increase when the pressures increase. We also observed in our results that the size of the local cluster grows as the pressure increases, and the long-range connectivity of the quasi-crystal is achieved at high pressure.

Original languageEnglish
Article number365401
JournalJournal of Physics Condensed Matter
Issue number36
Publication statusPublished - 21 Jun 2019


  • liquid NiTi
  • local structures
  • molecular dynamics simulations
  • pressure


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