Dynamics and Structure of Monolayer Polymer Crystallites on Graphene.
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Summary
The dynamics and the structure of a single polyethylene chain on free-standing graphene is investigated by means of molecular dynamics simulations and it is anticipated that the approach will help in resolving nonequilibrium phenomena of hybrid polymeric systems over a broad range of time and length scales.
- Type
- article
- Published
- 2016-10-31
- Cited by
- 25
- References
- 46
- Access
- Open access
- OpenAlex
- https://openalex.org/W27786488
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:23679952
Keywords
Computer science
References
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- A Study of Equilibrium Melting of Polyethylene
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- Surface-Induced Frustration in Solid State Polymorphic Transition of Native Cellulose Nanocrystals.
- Understanding the Roles of Solution Chemistries and Functionalization on the Aggregation of Graphene-Based Nanomaterials Using Molecular Dynamic Simulations
- Molecular insights into the effect of graphene packing on mechanical behaviors of graphene reinforced cis-1,4-polybutadiene polymer nanocomposites.
- Molecular dynamics simulation of the folding of single alkane chains with different lengths on single-walled carbon nanotubes and graphene
- Morphology, thermal properties and molecular dynamics of syndiotactic polystyrene (s-PS) nanocomposites with aligned graphene oxide and graphene nanosheets
- Fully Atomistic Molecular Dynamics Simulations of the Isothermal Orientation of n-Decanes Confined between Graphene Sheets
- Atomistic Molecular Dynamics Simulations of Polymer/Graphene Nanostructured Systems
- Ultrafast rotational motions of supported nanoclusters probed by electron diffraction
- Functionalization of graphene layers and advancements in device applications
- Molecular dynamics simulations on the orientation of n-alkanes with different lengths on graphene
- Selective Reduction Mechanism of Graphene Oxide Driven by the Photon Mode versus the Thermal Mode.
- A review on the mechanical and thermal properties of graphene and graphene-based polymer nanocomposites: understanding of modelling and MD simulation
- Glass transition temperature of a polymer thin film: Statistical and fitting uncertainties
- Direct Evidence of Graphene‐Induced Molecular Reorientation in Polymer Films
- Bound Layer Polymer Behavior on Graphene and Graphene Oxide Nanosheets
- Interface and Interphase in Polymer Nanocomposites with Bare and Core-Shell Gold Nanoparticles
- Molecular dynamics simulation of the fold of alkyl groups with different lengths when n-hexane molecules forming ordered structure on their functionalized graphene
- Molecular Dynamics Simulations on the Chain Fold During the Isothermal Orientation of n-Alkanes on Graphene
- A review of the mechanical, thermal and tribological properties of graphene reinforced polymer nanocomposites: a molecular dynamics simulations methods
- Crystallization and melting of polymer chains on graphene and graphene oxide.
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