Molecular dynamics studies of the mechanical behaviors and thermal conductivity of polyisoprene with different degrees of polymerization

HIGHLIGHTS

• who: Zhiyuan Chen and colleagues from the Field Engineering College, Army Engineering University of PLA, Nanjing, China have published the article: Molecular Dynamics Studies of the Mechanical Behaviors and Thermal Conductivity of Polyisoprene with Different Degrees of Polymerization, in the Journal: Polymers 2022, 4950 of /2022/
• what: In this paper Moltemplate was used to establish polyisoprene models with different degrees of polymerization and the mechanical properties of polyisoprene under uniaxial tension were analyzed under an OPLS all-atom force field. The research content of this paper aims to provide theoretical support for improving the mechanical . . .
  

   

  

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