Zobrazeno 1 - 10
of 133
pro vyhledávání: '"Daoulas, Kostas Ch."'
Publikováno v:
J. Chem. Phys. 161, 144904 (2024)
A central paradigm of polymer physics states that chains in melts behave like random walks as intra- and interchain interactions effectively cancel each other out. Likewise, $\theta$-chains, i.e., chains at the transition from a swollen coil to a glo
Externí odkaz:
http://arxiv.org/abs/2411.13357
Publikováno v:
Journal of Chemical Physics; 10/14/2024, Vol. 161 Issue 14, p1-8, 8p
Akademický článek
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Autor:
Zhang, Guojie, Chazirakis, Anthony, Harmandaris, Vagelis A., Stuehn, Torsten, Daoulas, Kostas Ch., Kremer, Kurt
We demonstrate that hierarchical backmapping strategies incorporating generic blob-based models can equilibrate melts of high-molecular-weight polymers, described with chemically specific, atomistic, models. The central idea behind these strategies,
Externí odkaz:
http://arxiv.org/abs/1808.03205
Autor:
Popadić, Aleksandar, Svenšek, Daniel, Podgornik, Rudolf, Daoulas, Kostas Ch., Praprotnik, Matej
Publikováno v:
Soft Matter, 2018, 14, 5898
We establish a macroscopic description of the splay--density coupling in semiflexible main-chain nematic polymers with hairpins, using a vectorial continuity constraint for the "recovered" polar order of the chain tangents and introducing chain backf
Externí odkaz:
http://arxiv.org/abs/1802.07699
Publikováno v:
ACS Macro Lett. 3, 198 (2014)
A strategy is developed for generating equilibrated high molecular-weight polymer melts described with microscopic detail by sequentially backmapping coarse-grained (CG) configurations. The microscopic test model is generic but retains features like
Externí odkaz:
http://arxiv.org/abs/1610.07511
Publikováno v:
J. Chem. Phys. 142, 221102 (2015)
Mesoscale behavior of polymers is frequently described by universal laws. This physical property motivates us to propose a new modeling concept, grouping polymers into classes with a common long-wavelength representation. In the same class samples of
Externí odkaz:
http://arxiv.org/abs/1610.07514
Autor:
Tretyakov, Nikita, Papadopoulos, Periklis, Vollmer, Doris, Butt, Hans-Jürgen, Dünweg, Burkhard, Daoulas, Kostas Ch.
Publikováno v:
J. Chem. Phys. 145, 134703 (2016)
Classical density functional theory is applied to investigate the validity of a phenomenological force-balance description of the stability of the Cassie state of liquids on substrates with nanoscale corrugation. A bulk free-energy functional of thir
Externí odkaz:
http://arxiv.org/abs/1607.01636
A technique is presented which maps the parameters of a bead spring model, using the Flory Huggins theory, to a specific experimental system. By keeping only necessary details, for the description of these systems, the mapping procedure turns into an
Externí odkaz:
http://arxiv.org/abs/1604.05265
Akademický článek
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