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Area of Science:

  • Materials Science
  • Computational Physics

Background:

  • Understanding the mechanical behavior of amorphous solids like glasses is crucial.
  • The influence of porosity on glass properties under deformation is not fully understood.

Purpose of the Study:

  • To investigate the mechanical properties and porous structure of binary glasses under steady shear using molecular dynamics simulations.
  • To determine the relationship between porosity, shear modulus, and pore evolution during deformation.

Main Methods:

  • Utilized molecular dynamics simulations to model binary glass systems.
  • Prepared samples via thermal quench at constant volume below the glass transition temperature.
  • Analyzed pore size distribution and structural topology changes under varying shear strains.

Main Results:

  • Quiescent glasses exhibit a narrow pore size distribution, with mean pore size inversely related to density.
  • In the linear deformation regime, shear modulus strongly depends on porosity; pores slightly stretch without topological change.
  • At higher strains, shear stress plateaus, pores coalesce, and a broader pore size distribution emerges.

Conclusions:

  • Porosity is a critical factor governing the mechanical response of binary glasses under shear.
  • Deformation-induced pore coalescence and altered pore size distribution are key phenomena at large strains.
  • The study provides insights into the structure-property relationships of porous amorphous materials.