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Contraction of Entangled Polymers After Large Step Shear Deformations in Slip-Link Simulations
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| Zeitschriftentitel: | Polymers |
|---|---|
| Personen und Körperschaften: | |
| In: | Polymers, 11, 2019, 2, S. 370 |
| Format: | E-Article |
| Sprache: | Englisch |
| veröffentlicht: |
MDPI AG
|
| Schlagwörter: |
| author_facet |
Masubuchi, Yuichi Masubuchi, Yuichi |
|---|---|
| author |
Masubuchi, Yuichi |
| spellingShingle |
Masubuchi, Yuichi Polymers Contraction of Entangled Polymers After Large Step Shear Deformations in Slip-Link Simulations Polymers and Plastics General Chemistry |
| author_sort |
masubuchi, yuichi |
| spelling |
Masubuchi, Yuichi 2073-4360 MDPI AG Polymers and Plastics General Chemistry http://dx.doi.org/10.3390/polym11020370 <jats:p>Although the tube framework has achieved remarkable success to describe entangled polymer dynamics, the chain motion assumed in tube theories is still a matter of discussion. Recently, Xu et al. [ACS Macro Lett. 2018, 7, 190–195] performed a molecular dynamics simulation for entangled bead-spring chains under a step uniaxial deformation and reported that the relaxation of gyration radii cannot be reproduced by the elaborated single-chain tube model called GLaMM. On the basis of this result, they criticized the tube framework, in which it is assumed that the chain contraction occurs after the deformation before the orientational relaxation. In the present study, as a test of their argument, two different slip-link simulations developed by Doi and Takimoto and by Masubuchi et al. were performed and compared to the results of Xu et al. In spite of the modeling being based on the tube framework, the slip-link simulations excellently reproduced the bead-spring simulation result. Besides, the chain contraction was observed in the simulations as with the tube picture. The obtained results imply that the bead-spring results are within the scope of the tube framework whereas the failure of the GLaMM model is possibly due to the homogeneous assumption along the chain for the fluctuations induced by convective constraint release.</jats:p> Contraction of Entangled Polymers After Large Step Shear Deformations in Slip-Link Simulations Polymers |
| doi_str_mv |
10.3390/polym11020370 |
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Online Free |
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Chemie und Pharmazie |
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MDPI AG, 2019 |
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MDPI AG, 2019 |
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MDPI AG |
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Polymers |
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| title |
Contraction of Entangled Polymers After Large Step Shear Deformations in Slip-Link Simulations |
| title_unstemmed |
Contraction of Entangled Polymers After Large Step Shear Deformations in Slip-Link Simulations |
| title_full |
Contraction of Entangled Polymers After Large Step Shear Deformations in Slip-Link Simulations |
| title_fullStr |
Contraction of Entangled Polymers After Large Step Shear Deformations in Slip-Link Simulations |
| title_full_unstemmed |
Contraction of Entangled Polymers After Large Step Shear Deformations in Slip-Link Simulations |
| title_short |
Contraction of Entangled Polymers After Large Step Shear Deformations in Slip-Link Simulations |
| title_sort |
contraction of entangled polymers after large step shear deformations in slip-link simulations |
| topic |
Polymers and Plastics General Chemistry |
| url |
http://dx.doi.org/10.3390/polym11020370 |
| publishDate |
2019 |
| physical |
370 |
| description |
<jats:p>Although the tube framework has achieved remarkable success to describe entangled polymer dynamics, the chain motion assumed in tube theories is still a matter of discussion. Recently, Xu et al. [ACS Macro Lett. 2018, 7, 190–195] performed a molecular dynamics simulation for entangled bead-spring chains under a step uniaxial deformation and reported that the relaxation of gyration radii cannot be reproduced by the elaborated single-chain tube model called GLaMM. On the basis of this result, they criticized the tube framework, in which it is assumed that the chain contraction occurs after the deformation before the orientational relaxation. In the present study, as a test of their argument, two different slip-link simulations developed by Doi and Takimoto and by Masubuchi et al. were performed and compared to the results of Xu et al. In spite of the modeling being based on the tube framework, the slip-link simulations excellently reproduced the bead-spring simulation result. Besides, the chain contraction was observed in the simulations as with the tube picture. The obtained results imply that the bead-spring results are within the scope of the tube framework whereas the failure of the GLaMM model is possibly due to the homogeneous assumption along the chain for the fluctuations induced by convective constraint release.</jats:p> |
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| author | Masubuchi, Yuichi |
| author_facet | Masubuchi, Yuichi, Masubuchi, Yuichi |
| author_sort | masubuchi, yuichi |
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| description | <jats:p>Although the tube framework has achieved remarkable success to describe entangled polymer dynamics, the chain motion assumed in tube theories is still a matter of discussion. Recently, Xu et al. [ACS Macro Lett. 2018, 7, 190–195] performed a molecular dynamics simulation for entangled bead-spring chains under a step uniaxial deformation and reported that the relaxation of gyration radii cannot be reproduced by the elaborated single-chain tube model called GLaMM. On the basis of this result, they criticized the tube framework, in which it is assumed that the chain contraction occurs after the deformation before the orientational relaxation. In the present study, as a test of their argument, two different slip-link simulations developed by Doi and Takimoto and by Masubuchi et al. were performed and compared to the results of Xu et al. In spite of the modeling being based on the tube framework, the slip-link simulations excellently reproduced the bead-spring simulation result. Besides, the chain contraction was observed in the simulations as with the tube picture. The obtained results imply that the bead-spring results are within the scope of the tube framework whereas the failure of the GLaMM model is possibly due to the homogeneous assumption along the chain for the fluctuations induced by convective constraint release.</jats:p> |
| doi_str_mv | 10.3390/polym11020370 |
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| imprint | MDPI AG, 2019 |
| imprint_str_mv | MDPI AG, 2019 |
| institution | DE-15, DE-Pl11, DE-Rs1, DE-105, DE-14, DE-Ch1, DE-L229, DE-D275, DE-Bn3, DE-Brt1, DE-Zwi2, DE-D161, DE-Gla1, DE-Zi4 |
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| language | English |
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| physical | 370 |
| publishDate | 2019 |
| publishDateSort | 2019 |
| publisher | MDPI AG |
| record_format | ai |
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| series | Polymers |
| source_id | 49 |
| spelling | Masubuchi, Yuichi 2073-4360 MDPI AG Polymers and Plastics General Chemistry http://dx.doi.org/10.3390/polym11020370 <jats:p>Although the tube framework has achieved remarkable success to describe entangled polymer dynamics, the chain motion assumed in tube theories is still a matter of discussion. Recently, Xu et al. [ACS Macro Lett. 2018, 7, 190–195] performed a molecular dynamics simulation for entangled bead-spring chains under a step uniaxial deformation and reported that the relaxation of gyration radii cannot be reproduced by the elaborated single-chain tube model called GLaMM. On the basis of this result, they criticized the tube framework, in which it is assumed that the chain contraction occurs after the deformation before the orientational relaxation. In the present study, as a test of their argument, two different slip-link simulations developed by Doi and Takimoto and by Masubuchi et al. were performed and compared to the results of Xu et al. In spite of the modeling being based on the tube framework, the slip-link simulations excellently reproduced the bead-spring simulation result. Besides, the chain contraction was observed in the simulations as with the tube picture. The obtained results imply that the bead-spring results are within the scope of the tube framework whereas the failure of the GLaMM model is possibly due to the homogeneous assumption along the chain for the fluctuations induced by convective constraint release.</jats:p> Contraction of Entangled Polymers After Large Step Shear Deformations in Slip-Link Simulations Polymers |
| spellingShingle | Masubuchi, Yuichi, Polymers, Contraction of Entangled Polymers After Large Step Shear Deformations in Slip-Link Simulations, Polymers and Plastics, General Chemistry |
| title | Contraction of Entangled Polymers After Large Step Shear Deformations in Slip-Link Simulations |
| title_full | Contraction of Entangled Polymers After Large Step Shear Deformations in Slip-Link Simulations |
| title_fullStr | Contraction of Entangled Polymers After Large Step Shear Deformations in Slip-Link Simulations |
| title_full_unstemmed | Contraction of Entangled Polymers After Large Step Shear Deformations in Slip-Link Simulations |
| title_short | Contraction of Entangled Polymers After Large Step Shear Deformations in Slip-Link Simulations |
| title_sort | contraction of entangled polymers after large step shear deformations in slip-link simulations |
| title_unstemmed | Contraction of Entangled Polymers After Large Step Shear Deformations in Slip-Link Simulations |
| topic | Polymers and Plastics, General Chemistry |
| url | http://dx.doi.org/10.3390/polym11020370 |