Molecular dynamics simulation of the capillary leveling of a glass-forming liquid
| hal.structure.identifier | Gulliver (UMR 7083) | |
| dc.contributor.author | TANIS, Ioannis | |
| dc.contributor.author | KARATASOS, Kostas | |
| hal.structure.identifier | Laboratoire Ondes et Matière d'Aquitaine [LOMA] | |
| dc.contributor.author | SALEZ, Thomas | |
| dc.date.created | 2019 | |
| dc.date.issued | 2019 | |
| dc.identifier.issn | 1520-6106 | |
| dc.description.abstractEn | Motivated by recent experimental studies probing i) the existence of a mobile layer at the free surface of glasses, and ii) the capillary leveling of polymer nanofilms, we study the evolution of square-wave patterns at the free surface of a generic glass-forming binary Lennard-Jones mixture over a wide temperature range, by means of molecular dynamics simulations. The pattern’s amplitude is monitored and the associated decay rate is extracted. The evolution of the latter as a function of temperature exhibits a crossover between two distinct behaviours, over a temperature range typically bounded by the glass-transition temperature and the mode-coupling critical temperature. Layer-resolved analysis of the film particles’ mean-squared displacements further shows that diffusion at the surface is considerably faster than in the bulk, below the glass-transition temperature. The diffusion coefficient of the surface particles is larger than its bulk counterpart by a factor that reaches 105 at the lowest temperature studied. This factor decreases upon heating, in agreement with recent experimental studies. | |
| dc.language.iso | en | |
| dc.publisher | American Chemical Society | |
| dc.title.en | Molecular dynamics simulation of the capillary leveling of a glass-forming liquid | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1021/acs.jpcb.9b05909 | |
| dc.subject.hal | Physique [physics]/Matière Condensée [cond-mat]/Matière Molle [cond-mat.soft] | |
| dc.subject.hal | Physique [physics]/Matière Condensée [cond-mat]/Science des matériaux [cond-mat.mtrl-sci] | |
| dc.subject.hal | Physique [physics]/Matière Condensée [cond-mat]/Systèmes désordonnés et réseaux de neurones [cond-mat.dis-nn] | |
| dc.subject.hal | Physique [physics]/Matière Condensée [cond-mat]/Mécanique statistique [cond-mat.stat-mech] | |
| dc.subject.hal | Physique [physics]/Mécanique [physics]/Mécanique des matériaux [physics.class-ph] | |
| dc.identifier.arxiv | 1810.13179 | |
| bordeaux.journal | Journal of Physical Chemistry B | |
| bordeaux.page | 8543 | |
| bordeaux.volume | 123 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-01909064 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-01909064v1 | |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Journal%20of%20Physical%20Chemistry%20B&rft.date=2019&rft.volume=123&rft.spage=8543&rft.epage=8543&rft.eissn=1520-6106&rft.issn=1520-6106&rft.au=TANIS,%20Ioannis&KARATASOS,%20Kostas&SALEZ,%20Thomas&rft.genre=article |
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