4.7 Article

Outside-in disintegration of medium-range order in nano metallic glasses during torsion deformation revealed by molecular dynamics simulations

Journal

JOURNAL OF NON-CRYSTALLINE SOLIDS
Volume 595, Issue -, Pages -

Publisher

ELSEVIER
DOI: 10.1016/j.jnoncrysol.2022.121827

Keywords

Microstructure; Medium -range order; Torsion; Nano metallic glass

Funding

  1. National Natural Science Foundation of China [52071204, 51620105012, 51801124]
  2. Natural Science Foundation of Hunan Province [2020JJ5191]
  3. Research Foundation of Education Department of Hunan province [20C0783]
  4. Changzhou Sci- ence and Technology Bureau [CJ20210065, CQ20210086]
  5. MaGIC of Shanghai Jiao Tong University
  6. cluster at Shanghai Jiao Tong University

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This study investigated the evolution of MRO structures in nano metallic glasses under torsion deformation using molecular dynamics simulations. The study found an interesting outside-in disintegration of MROs and explored the mechanism behind this disintegration.
Medium-range order (MRO) is a substantial structure unit in understanding the structural characteristics, properties, and yield mechanism of amorphous solids. In this work, the evolution of MRO structures in nano metallic glasses under torsion deformation was studied by using molecular dynamics simulations. Upon torsion deformation, an interesting outside-in disintegration of MROs was detected, with most of the reduced icosahedral clusters in MRO structures transforming into other types of clusters while few of them become disconnected and turn into isolated icosahedral clusters. In addition, the proportion of face or volume-sharing icosahedra decreases, while the proportion of vertex or edge-sharing icosahedra increases. Specially, the average number of nearest neighboring icosahedra of <0,0,12,0> clusters also decreases. It was revealed that the significantly heterogeneous distribution of local shear stress was responsible for the outside-in disintegration of MROs, with a stress threshold for degradation of about 1.9 GPa.

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