Medium-range orders in amorphous alloys and their role on the plasticity: A molecular dynamics viewpoint study

Chang Myeon Lee, Mirim Lee, Kwang Ryeol Lee, Kyung Han Kang, Byeong Joo Lee, Jae-chul Lee

Research output: Contribution to journalArticle

Abstract

The local structural states of amorphous alloys have been depicted previously via short-range orders (SROs). However, the concept of SROs alone is inadequate and sometimes insufficient to explain the structure-property relation of the amorphous alloys. In this study, we propose new types of medium-range building structures that affect the mechanical properties, plasticity in particular. Using a combination of molecular dynamics simulations and the Voronoi tessellation method, we demonstrate a three-dimensional configuration of icosahedral medium-range orders (I-MROs) and elucidate how these icosahedral orders evolve by the application of shear deformation. It was observed that the structural stability of the icosahedral orders relies largely on how they are linked via percolation and this linking is explained in detail.

Original languageEnglish
Pages (from-to)101-108
Number of pages8
JournalJournal of Korean Institute of Metals and Materials
Volume48
Issue number2
DOIs
Publication statusPublished - 2010 Feb 1

Fingerprint

Amorphous Alloy
Amorphous alloys
Molecular Dynamics
Plasticity
Molecular dynamics
Range of data
Shear deformation
Mechanical properties
Computer simulation
Voronoi Tessellation
Structural Stability
Shear Deformation
Molecular Dynamics Simulation
Linking
Mechanical Properties
Three-dimensional
Configuration
Demonstrate

Keywords

  • Amorphous materials
  • Computer simulation
  • Deformation
  • Short(medium)-range order

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Metals and Alloys
  • Surfaces, Coatings and Films
  • Modelling and Simulation

Cite this

Medium-range orders in amorphous alloys and their role on the plasticity : A molecular dynamics viewpoint study. / Lee, Chang Myeon; Lee, Mirim; Lee, Kwang Ryeol; Kang, Kyung Han; Lee, Byeong Joo; Lee, Jae-chul.

In: Journal of Korean Institute of Metals and Materials, Vol. 48, No. 2, 01.02.2010, p. 101-108.

Research output: Contribution to journalArticle

Lee, Chang Myeon ; Lee, Mirim ; Lee, Kwang Ryeol ; Kang, Kyung Han ; Lee, Byeong Joo ; Lee, Jae-chul. / Medium-range orders in amorphous alloys and their role on the plasticity : A molecular dynamics viewpoint study. In: Journal of Korean Institute of Metals and Materials. 2010 ; Vol. 48, No. 2. pp. 101-108.
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