Atomistic Modeling of Defects in Metallic Materials

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Atomistic Modeling of Defects in Metallic
Materials

• Theodore Ford
• Advisor Dr. Douglas Spearot
• Research Experiences for Undergraduates in
• Nanomaterials and Nanomechanics
• Friday, June 1st, 2007

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Background

• Lattice structures in metals BCC, FCC, HCP
• Defects in crystal lattices Grain
  Boundaries/Porosity
• Materials by design through simulation
• Molecular statics
• Molecular dynamics

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Porosity

• Simulation geometry 1 Porosity in single
  crystal

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Grain Boundary

• Simulation geometry 2 Grain boundary under
  multiaxial state of stress

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Questions