Dynamic Fracture Mechanisms in Nanostructured and Amorphous Silica Glasses Million-Atom Molecular Dynamics Simulations

Abstract

Parallel molecular dynamics simulations are performed to investigate dynamic fracture in bulk and nanostructured silica glasses at room temperature and 1000 K. In bulk silica the crack front develops multiple branches and nanoscale pores open up ahead of the crack tip. Pores coalesce and then they merge with the advancing crack-front to cause cleavage fracture. The calculated fracture toughness is in good agreement with experiments. In nanostructured silica the crack-front meanders along intercluster boundaries, merging with nanoscale pores in these regions to cause intergranular fracture. The failure strain in nanostructured silica is significantly larger than in the bulk systems.

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Document Details

Document Type
Technical Report
Publication Date
Nov 01, 2001
Accession Number
ADP012189

Entities

People

  • Aiichiro Nakano
  • Cindy L. Rountree
  • Laurent Van Brutzel
  • Priya Vashishta
  • Rajiv K. Kalia

Organizations

  • Louisiana State University

Tags

Communities of Interest

  • Advanced Electronics

DTIC Thesaurus Topics

  • Computations
  • Computer Science
  • Computers
  • Crack Propagation
  • Crack Tips
  • Cracks
  • Dynamics
  • Glass
  • High Temperature
  • Hydrostatic Pressure
  • Materials
  • Materials Laboratories
  • Mechanical Properties
  • Molecular Dynamics
  • Nanocomposites
  • Physical Properties
  • Simulations

Readers

  • Electrochemical Engineering/ Fuel Cell Technologies
  • Materials Science (Mechanical Engineering).
  • Quantum Chemistry

Technology Areas

  • Microelectronics