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Predicting Shear Transformation Events in Metallic Glasses.

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Predicting shear transformation events in metallic glasses is key to understanding their deformation. This study reveals stress gradients govern these events and proposes a framework to predict their occurrence, location, and structural changes.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Materials Science

Background:

  • Shear transformation is the fundamental mechanism behind the plastic deformation of metallic glasses.
  • Understanding and predicting these events is crucial for characterizing the mechanical behavior of metallic glasses.

Purpose of the Study:

  • To investigate the factors governing shear transformation events in metallic glasses.
  • To develop a predictive framework for triggering strains, locations, and structural changes of shear transformation events under various shear protocols.

Main Methods:

  • Analysis of the potential energy landscape to understand shear transformation.
  • Development of an atomistic approach to predict shear transformation events.
  • Verification using athermal quasistatic shear simulations on a model Cu64Zr36 metallic glass.

Main Results:

  • Protocol-dependent behavior of shear transformation is governed by the stress gradient along the minimum energy path.
  • The proposed framework accurately predicts triggering strains and locations.
  • Predicted structural transformations align with simulation results.

Conclusions:

  • The study provides a novel framework for predicting shear transformation events in metallic glasses.
  • This framework offers a quantitative tool for understanding the deformation processes controlling mechanical behavior.
  • The findings are vital for the design and application of metallic glasses.