Modeling of Nanoindentation in Ni-Graphene Nanocomposites: A Molecular Dynamics Sensitivity Study

Authors Vardan Hoviki Vardanyan, Herbert M. Urbassek

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Vardan Hoviki Vardanyan
  • Physics Department and Research Center OPTIMAS, Technische Universität Kaiserslautern, Germany
Herbert M. Urbassek
  • Physics Department and Research Center OPTIMAS, Technische Universität Kaiserslautern, Germany


Simulations were performed at the High Performance Cluster Elwetritsch (RHRK, TU Kaiserslautern, Germany).

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Vardan Hoviki Vardanyan and Herbert M. Urbassek. Modeling of Nanoindentation in Ni-Graphene Nanocomposites: A Molecular Dynamics Sensitivity Study. In 2nd International Conference of the DFG International Research Training Group 2057 – Physical Modeling for Virtual Manufacturing (iPMVM 2020). Open Access Series in Informatics (OASIcs), Volume 89, pp. 12:1-12:13, Schloss Dagstuhl – Leibniz-Zentrum für Informatik (2021)


Using molecular dynamics simulation, we perform nanoindentation simulations on a Ni-graphene model system, in which a graphene flake coats the grain boundary of a Ni bi-crystal. Material strengthening or weakening by inclusion of graphene is discussed with the help of the force needed to indent to a specified depth. By varying the depth of the graphene flake with respect to the indentation depth we identify the distance up to which graphene influences the indentation behavior. In addition, we vary the details of the modeling of the graphene flake in the matrix metal and determine their influence on the performance of the nanocomposite. Our results indicate that the modeling results are robust against variations in the modeling of the graphene flake.

Subject Classification

ACM Subject Classification
  • Applied computing → Physical sciences and engineering
  • molecular dynamics
  • nickel-graphene composites
  • dislocations
  • nanoindentation


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