Molecular dynamics simulation of pull-out Halloysite nanotube from polyurethane matrix
Molecular dynamics (MD) simulation has been applied to study of pull-out of Halloysite nanotubes (HNTs) from a polyurethane (PU) matrix. First, the Machine learning (ML) particle swarm optimization (PSO) method was used to obtain force field parameters for MD from data of density functional theory (...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
SAGE Publishing
2021-09-01
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| Series: | Advances in Mechanical Engineering |
| Online Access: | https://doi.org/10.1177/16878140211044663 |