Deformation and fracture processes of a lamellar structure in polyethylene at the molecular level by a coarse-grained molecular dynamics simulation
Y Higuchi, M Kubo - Macromolecules, 2017 - ACS Publications
Coarse-grained molecular dynamics simulations can model the deformation and fracture
processes of the lamellar structure in polyethylene on a molecular scale; however, the
simulations have not been performed due to the difficulty in building the structure and the
limitations of small-scale simulations on the order of 104 beads. Thus, we propose a
crystallization method for a large-scale lamellar structure on the order of 106 beads. The
highly oriented lamellar structure is stretched in a coarse-grained molecular dynamics …
processes of the lamellar structure in polyethylene on a molecular scale; however, the
simulations have not been performed due to the difficulty in building the structure and the
limitations of small-scale simulations on the order of 104 beads. Thus, we propose a
crystallization method for a large-scale lamellar structure on the order of 106 beads. The
highly oriented lamellar structure is stretched in a coarse-grained molecular dynamics …
[引用][C] Deformation and Fracture Processes of a Lamellar Structure in Polyethylene at the Molecular Level by a Coarse-Grained Molecular Dynamics Simulation
H Yuji, K Momoji - 2017
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