Structure formation of a quenched single polyethylene chain with different force fields in united atom molecular dynamics simulations
The differences in the structure formations of a single polyethylene (PE) chain in united atom molecular dynamics (UAMD) simulations under quenching was investigated with varying force fields (FFs) that included torsional potential. We estimated the crystallinity of the folded structures undergoing...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2018-11-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.5063438 |