Computational Materials Science



  • Investigate critical mechanisms in material durability occurring at the micron- to nano-scale
  • Design, verify, and validate models that incorporate atomistic and multi-physics approaches to multi-functional materials design
  • Determine multi-functional properties of a variety of materials – metals, polymers, composites.
  • Develop novel composite materials such as boron nitride nanotube (BNNT) metal composites

Why It Matters

Materials Modeling enables the design and fabrication of improved light weight multi-functional materials that exhibit superior properties

Recent Accomplishments

Multi-scale modeling studies for:

  • Damage of metallic materials
  • Mechanical and electroactive properties of boron nitride nanotubes and bundles
  • Mechanical properties of polymer and metal matrix nanocomposites and laminates with carbon or boron nitride nanotube inclusions


NASA HQ, NASA Langley Research Center

Participants / Collaborators

  • National Institute of Aerospace
  • Texas A&M
  • Virginia Tech
  • George Mason University


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