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Cross-linking of molecular epoxy models

Page history last edited by Hadley 9 years, 2 months ago


Cross-Linking of Molecular Epoxy Models

 

Background

Advanced composite materials are becoming the material of choice for construction as is seen in the Boeing 787. Composites are typically made of polymers like epoxy. The reason for this stems from how the polymer forms an intricate network of cross-links.  Molecular modeling is typically used to characterize material performance and identify trends towards how to optimize performance like minimizing weight or improving material strength.  The problem with cross-linked systems is identifying where cross-links should occur in the model to best describe system and accurately match what is seen experimentally.

 

Project Details

The student researcher will develop models to polymerize an example epoxy system in a number of different ways, including a clustering algorithm to identify where cross-links form. For each method applied, the student will measure and compare a number of properties including total energy, heat capacity, thermal expansion coefficient, and glass transition temperature. The student will duplicate the results from work of another research team to familiarize themselves with the techniques. Afterwards, the student will independently apply the clustering algorithm to improve upon cross-linking procedures.

 

 

Skills Development

  • Programming
  • Algorithm development
  • Modeling polymerization of cross-linked systems
  • Polymer property measurement from models

 

Research Duties

  • Adapt older polymerization codes to new cross-linking strategies
  • Run simulations to obtain thermodynamic and structural properties of epoxies
  • Compare modeling results to experimental results 
  • Summarize data into reports
  • Track other comparisons like simulation time and difficulty of programming

 

Impact of Research

With an accurate epoxy model, we can begin to explore how epoxies and other cross-linking polymers interact with themselves and within composite materials. With that, we can optimize performance, lower cost, and design new materials.

 

Research Team

You will be working with both Dr. Hadley and Dr. Winter.

 

Dr. Hadley has expertise in modeling polymeric materials and coding clustering algorithms. This person will serve as the lead on the project.

 

Dr. Winter has experience in polymer physics, composite technology, and epoxy systems.  He will provide confirmation of the model's accuracy and insight on its applications.

 

 

For more details on this project, contact the lead investigator:

kevin.hadley@sdsmt.edu

 

 

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