Posted 4/8/2024, 4:50:33 PM
Machine Learning and Simulations Explore Tailoring Graphene Materials
- Introduces boron and nitrogen doped graphene nanosheets and their potential for tailored thermomechanical properties
- Discusses using molecular dynamics (MD) simulations to study mechanical and thermal properties of materials like doped graphene at the atomic level
- Reviews previous MD simulation research on mechanical and thermal properties of boron and nitrogen doped graphene
- Proposes using machine learning with MD simulations to better predict properties and design doped graphene structures
- Compares machine learning models for predicting thermal conductivity and mechanical properties of boron/nitrogen co-doped graphene sheets