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November 12, 2025PolymersOpen Access

In Silico Polymerisation and Characterisation of Auxetic Liquid Crystalline Elastomers Using Atomistic Molecular Dynamics Simulations

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Authors

RMRichard MandleTRThomas RaistrickDMDevesh Mistry

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Overview

Atomistic molecular dynamics simulations reveal network formation in liquid crystalline elastomers, highlighting their unique properties under strain.

Key Points

  • Network formation occurs through polymerisation, showing significant promise for material design.
  • The simulation matches experimental measurements of glass transition temperatures and orientational order.
  • Using atomistic molecular dynamics simulations, complex behaviors of liquid crystalline elastomers are analyzed.
  • Findings suggest potential advancements in designing high-molecular-weight liquid crystals for various applications.

Cite This Study

Mandle et al. (2025) studied this question.

synapsesocial.com/papers/69252e8bc0ce034ddc355d11https://doi.org/10.3390/polym17223011
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