Coarse-grained molecular dynamics simulation of polycarbonate deformation: dependence of mechanical performance by the effect of spatial distribution and topological constraints

HIGHLIGHTS

• who: Tatchaphon Leelaprachakul and collaborators from the Department of Mechanical Engineering, Graduate School of Engineering, The University of Tokyo, Hongo, Bunkyo-ku, Tokyo, Japan have published the research work: Coarse-Grained Molecular Dynamics Simulation of Polycarbonate Deformation: Dependence of Mechanical Performance by the Effect of Spatial Distribution and Topological Constraints, in the Journal: Polymers 2023, 15, 43. of /2023/
• what: Note that, since limited bond breaking (less than 0.01 %) is observed in the fracture of polycarbonate , the model has not implemented bond breaking for simplicity. After annealing, the models were cooled to 300 K . . .
  

   

  

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