Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

Molecular dynamics simulation of polymer crystallization from an oriented amorphous state.

Akira Koyama1, Takashi Yamamoto, Koji Fukao

  • 1Graduate School of Human and Environmental Studies, Kyoto University, Kyoto 606-8501, Japan.

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|June 13, 2002
PubMed
Summary

Molecular dynamics simulations reveal polyethylene crystallization from an oriented amorphous state. Initially, hexagonal domains form, followed by stacked lamellas, detailing the fiber structure development.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Propagation of periodic director and flow patterns in a cholesteric liquid crystal under electroconvection.

Scientific reports·2024
Same author

Stage III Chorioamnionitis is Associated with Reduced Risk of Severe Retinopathy of Prematurity.

The Journal of pediatrics·2024
Same author

Morphogenesis of a chiral liquid crystalline droplet with topological reconnection and Lehmann rotation.

Scientific reports·2024
Same author

Phase transitions and dynamics in ionic liquid crystals confined in nanopores.

The Journal of chemical physics·2024
Same author

Crystallization with Nodular Aggregation near the Glass Transition Temperature for Syndiotactic Polypropylene.

ACS macro letters·2023
Same author

High dispersion and oxygen reduction reaction activity of Co<sub>3</sub>O<sub>4</sub> nanoparticles on platelet-type carbon nanofibers.

RSC advances·2022

Area of Science:

  • Polymer Science
  • Materials Science
  • Computational Chemistry

Background:

  • Understanding polymer crystallization is crucial for material properties.
  • Oriented amorphous states serve as precursors to crystalline structures.
  • Molecular dynamics simulations offer atomistic insights into complex processes.

Purpose of the Study:

  • To simulate and elucidate the molecular mechanism of polyethylene crystallization from an oriented amorphous state.
  • To observe the evolution of structural order during the crystallization process.
  • To characterize the intermediate and final crystalline structures formed.

Main Methods:

  • Realistic polyethylene model utilized for molecular dynamics (MD) simulation.
  • Creation of an oriented amorphous state via uniaxial drawing of a glassy state at 100 K.

Related Experiment Videos

  • Temperature jump to 330 K initiated crystallization, monitored by order parameters and real-space imaging with Fourier transforms.

    • Main Results:

    • Successfully reproduced the molecular crystallization process from an oriented amorphous polyethylene state.
    • Observed the initial formation of hexagonally ordered domains upon heating.
    • Documented the subsequent development of a highly ordered crystalline state with stacked lamellas.

    Conclusions:

    • The study elucidates a two-stage crystallization mechanism in oriented amorphous polyethylene.
    • MD simulations provide a powerful tool for understanding polymer structure evolution.
    • The findings contribute to the design of polyethylene materials with tailored fiber structures.