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pro vyhledávání: '"lattice fundamental measure theory"'
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Autor:
Zimmermann, Michael, Oettel, Martin
Using classical density functional theory, we study the behavior of dimers, i.e. hard rods of length $L=2$, on a two-dimensional cubic lattice. For deriving a free energy functional, we employ Levy's prescription which is based on the minimization of
Externí odkaz:
http://arxiv.org/abs/2309.14881
Autor:
Klopotek, Miriam Dagna
This thesis explores the statistical mechanics of idealized model systems of hard-core rods and “sticky” hard rods, as well as the behavior of a machine learning algorithm. Rods are constrained to square and cubic-type lattices: in monolayer conf
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______707::7bf0f4a69acdf0ceefc3befc381d5684
https://hdl.handle.net/10900/116131
https://hdl.handle.net/10900/116131
Publikováno v:
Journal of Chemical Physics; 2016, Vol. 145 Issue 7, p1-12, 12p, 3 Diagrams, 5 Graphs
Autor:
Maeritz, M., Oettel, M.
Publikováno v:
Phys. Rev. E 104, 024124 (2021)
We construct a density functional for the lattice gas / Ising model on square and cubic lattices based on lattice fundamental measure theory. In order to treat the nearest-neighbor attractions between the lattice gas particles, the model is mapped to
Externí odkaz:
http://arxiv.org/abs/2104.12723
Publikováno v:
Journal of Physics A: Mathematical & Theoretical; 8/9/2024, Vol. 57 Issue 32, p1-17, 17p
Using grand canonical Monte Carlo (GCMC) simulations, we investigate the isotropic-nematic phase transition for hard rods of size Lx1x1 on a 3D cubic lattice. We observe such a transition for L >= 6. For L = 6, the nematic state has a negative order
Externí odkaz:
http://arxiv.org/abs/1706.05185
Autor:
Martin Oettel, M. Maeritz
Publikováno v:
Physical Review E. 104
We construct a density functional for the lattice gas / Ising model on square and cubic lattices based on lattice fundamental measure theory. In order to treat the nearest-neighbor attractions between the lattice gas particles, the model is mapped to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::68b3744fab38fa8eb8172e971c9bffe5
https://doi.org/10.1103/physreve.104.024124
https://doi.org/10.1103/physreve.104.024124
Publikováno v:
Physical Review E: Statistical, Nonlinear & Soft Matter Physics. Apr2012, Vol. 85 Issue 4, p1-4. 4p.
Publikováno v:
Phys. Rev. E 72, 031405 (2005)
We consider a binary mixture of colloid and polymer particles with positions on a simple cubic lattice. Colloids exclude both colloids and polymers from nearest neighbor sites. Polymers are treated as effective particles that are mutually non-interac
Externí odkaz:
http://arxiv.org/abs/cond-mat/0504426