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Using Molecular Dynamics to Simulate Fiber Reinforcement Effects on Tensile Properties in Silicon Carbide

Cameron Hilliard
Department of Materials Science & Engineering, University of Tennessee

This page shows visualizations of tensile testing in SiC via LAMMPS MD simulation.

The use of Silicon Carbide (SiC) in ceramic matrix nuclear fuel is largely dependent on the materials ability to handle stresses from swelling during irradiation. Traditional methods of determining material properties such as ultimate tensile strength, young's modulus, or toughness require the construction and machining of physical specimens that can be costly and time consuming. Using molecular dynamics to build and test different possible fuel constructs without the need to physically do so could prove useful in predetermining effective fuel designs while lowering overall research costs. A possible effective fuel design is the inclusion of reinforcement fibers in the ceramic matrix which directly influences material properties of interest. This experiment's goal was to successfully implement molecular dynamics simulations in building and testing SiC structures.1

Interactive Structures

Color Legend:

  • grey = Carbon
  • tan = Silicon


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posted: May 2022.
updated: May 2022.