Zobrazeno 1 - 10
of 121
pro vyhledávání: '"Carignano M"'
Publikováno v:
Int. J. Quantum Chem. 120, e26053 (2020)
Motivated by the presence of a lattice of rotating molecular dipoles in the high temperature phase of methylammonium lead iodide, we investigate the ground state of a simple cubic lattice of dipoles interacting with each other via the dipole-dipole i
Externí odkaz:
http://arxiv.org/abs/1909.00336
Publikováno v:
J. Appl. Phys. 125, 163103 (2019)
Motivated by the recent interest in the possible ordering of the CH$_3$NH$_3$ dipoles in the material CH$_3$NH$_3$PbI$_3$, we investigate the properties of domain boundaries in a simple cubic lattice of dipoles. We perform numerical simulations in wh
Externí odkaz:
http://arxiv.org/abs/1809.06074
Publikováno v:
Soft Matter, v. 9, pp. 709-714, (2013)
We present a simulation study of colloidal particles having very short range attractions. In particular, we investigate the interplay between the effective attractive range and the viscoelastic properties of the gels that form when the temperature of
Externí odkaz:
http://arxiv.org/abs/1307.3615
Publikováno v:
Chemical Physics Letters, v. 538, pp. 35-38 (2012)
We studied by molecular dynamics simulations the relation existing between the lifetime of hydrogen bonds, the tetrahedral order and the diffusion coefficient of model water. We tested four different models: SPC/E, TIP4P-Ew, TIP5P-Ew and Six-site, th
Externí odkaz:
http://arxiv.org/abs/1307.3611
Publikováno v:
In IFAC PapersOnLine July 2017 50(1):10052-10057
Publikováno v:
Eur. Phys. J. B 3, 365-375 (1998).
We have studied both experimentally and theoretically the surface pressure isotherms of copolymers of polystyrene-polyethyleneoxide (PS-PEO) at the air-water interface. The SCMF (single chain mean-field) theory provides a very good agreement with the
Externí odkaz:
http://arxiv.org/abs/cond-mat/9706249
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America, 2000 Aug 01. 97(16), 9037-9041.
Externí odkaz:
https://www.jstor.org/stable/123125
Publikováno v:
Journal of Applied Physics; 2019, Vol. 125 Issue 16, pN.PAG-N.PAG, 8p, 2 Color Photographs, 3 Graphs
Publikováno v:
Physical Review Letters
Electron relaxation is studied in endofullerene Mg@C60, after an initial localized photoexcitation in Mg, by nonadiabtic molecular dynamics simulations. To ensure reliability, two methods are used: i) an independent particle approach with a DFT descr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d2858ef124b3c2583d47478b17c65c72
Publikováno v:
Engineering Letters. 2011, Vol. 19 Issue 1, p13-19. 7p. 1 Black and White Photograph, 3 Diagrams, 12 Graphs.