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MECH_ENG 417: Multiscale Modeling and Simulation in Solid Mechanics


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Description

  1. Understand the underlying principles of molecular dynamics (equations of motion for atoms, atomic interactions). 
  2. Gain proficiency in designing molecular dynamics simulations using available software (LAMMPS). 
  3. Understand the connection between information available on small (atomistic) and large (continuum) scales. 
  4. Be able to use molecular dynamic simulation (MD) data in a finite element simulation (ABAQUS), and be able to explain the results. 

Applications

a. Nanostructure materials: Nanowires: single crystal Si; Nano Carbons: nanotube, graphite, and nano-diamond. 
b. Polymer nano-composite: polymer mechanics, polymer and polymer-fillers modeling, Multi-scale modeling (MD, Continuum)

Course Syllabus