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In Chaps. 5 and 6 , different configurations of graphene were designed and characterized for fracture strength and impact strength, respectively, by using the molecular dynamics (MD) simulation-driven ML model. MD simulations have become an essential tool for studying nanoscale materials such as graphene.

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Interatomic Potential Parametrization for Graphene

  • 章节

  • 发表日期：

    2025年

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  • Kritesh Kumar Gupta,
  • Sudip Dey,
  • Tanmoy Mukhopadhyay

摘要

In Chaps. 5 and 6 , different configurations of graphene were designed and characterized for fracture strength and impact strength, respectively, by using the molecular dynamics (MD) simulation-driven ML model. MD simulations have become an essential tool for studying nanoscale materials such as graphene.