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Identifying microscopic factors that influence ductility in disordered solids.

Hongyi Xiao1,2,3, Ge Zhang1,4, Entao Yang5

  • 1Department of Physics, University of Pennsylvania, Philadelphia, PA 19104.

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Summary

This study introduces structuro-elastoplastic (StEP) models to understand strain localization in disordered solids. These models link microscopic features to macroscopic behavior, offering a unified theoretical framework for material science.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Mechanics

Background:

  • Empirical strategies for controlling strain localization in disordered solids lack a unifying theoretical framework.
  • Existing methods are system-specific, limiting broader applicability and understanding.
  • A theoretical model is needed to explain the mechanisms behind strain localization tuning.

Purpose of the Study:

  • To develop a theoretical framework for understanding and predicting strain localization in disordered solids.
  • To construct structuro-elastoplastic (StEP) models applicable across different disordered systems.
  • To elucidate the microscopic origins of varying ductility in materials.

Main Methods:

  • Studied three model disordered solids: atomic glass, granular packing, and polymer glass.
  • Employed machine learning to identify 'softness' as a key descriptor for local structural stability.
  • Developed StEP models based on correlations between softness and structural rearrangements.

Main Results:

  • StEP models achieved semiquantitative agreement with stress-strain curves and softness statistics across all studied systems.
  • The models successfully predicted changes in ductility based on initial structure, rearrangement effects, and size.
  • Identified key microscopic features governing strain localization without additional parameters.

Conclusions:

  • StEP models provide a microscopic understanding of strain localization dependence on structure, plasticity, and elasticity.
  • The developed models offer a generalizable theoretical approach to disordered material behavior.
  • This work bridges the gap between empirical observations and theoretical explanations in materials science.