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Related Experiment Videos

Shear softening and structure in a simulated three-dimensional binary glass.

Fabio Albano1, Michael L Falk

  • 1Department of Materials Science and Engineering, University of Michigan, Ann Arbor, Michigan 48109-2136, USA.

The Journal of Chemical Physics
|June 11, 2005
PubMed
Summary

Molecular dynamics simulations reveal that the thermal and strain history of binary glasses significantly impacts their structure and mechanical properties. Glasses quenched from supercooled liquids exhibit higher strength and shear localization due to increased three-atom clusters.

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Area of Science:

  • Materials Science
  • Computational Physics
  • Glass Science

Background:

  • Understanding the relationship between the structure and mechanical properties of amorphous materials like glasses is crucial.
  • The influence of thermal history (quenching temperature) and deformation (shear) on glass structure is complex and not fully understood.

Purpose of the Study:

  • To investigate how quenching temperature and shear deformation affect the short-range and medium-range order in binary glasses.
  • To correlate structural changes with mechanical responses such as strength and shear localization.

Main Methods:

  • Utilizing molecular-dynamics simulations to model three-dimensional binary glasses.
  • Performing shear tests under constant volume and constant pressure conditions across various strain rates.

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  • Analyzing pair distribution functions and three-body correlations to quantify structural changes.

    • Main Results:

    • A systematic change in short-range order was observed, with three-body correlations being more sensitive indicators of structural evolution.
    • Glasses quenched from supercooled liquids showed a higher initial number of aligned three-atom clusters, which decreased under shear.
    • Glasses quenched from higher temperatures had fewer clusters, which either increased or remained constant under shear.
    • Supercooled-quenched glasses exhibited higher strength, pronounced shear softening, and increased shear localization.

    Conclusions:

    • The number of aligned three-atom clusters serves as a sensitive structural parameter reflecting thermal and strain history.
    • The mechanical behavior of binary glasses under shear is directly linked to their structural evolution, particularly the dynamics of these clusters.
    • Simulation results under both constant volume and constant pressure conditions consistently demonstrate these structure-property relationships.