Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Pablo Miguel Ramos"'
Autor:
Pablo Miguel Ramos, Miguel Herranz, Katerina Foteinopoulou, Nikos Ch. Karayiannis, Manuel Laso
Publikováno v:
Crystals, Vol 10, Iss 11, p 1008 (2020)
In the present work, we revise and extend the Characteristic Crystallographic Element (CCE) norm, an algorithm used to simultaneously detect radial and orientational similarity of computer-generated structures with respect to specific reference cryst
Externí odkaz:
https://doaj.org/article/6f78a08fdaa34fd59621f1532d727042
Autor:
Pablo Miguel Ramos, Miguel Herranz, Daniel Martínez-Fernández, Katerina Foteinopoulou, Manuel Laso, Nikos Ch. Karayiannis
Publikováno v:
The Journal of Physical Chemistry B. 126:5931-5947
We present results from extensive Monte Carlo simulations on the crystallization of athermal polymers under full confinement. Polymers are represented as freely jointed chains of tangent hard spheres of uniform size. Confinement is applied through th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3def993cc56d2257029d6dadc022f0e4
https://doi.org/10.1021/acs.jpcb.2c03424
https://doi.org/10.1021/acs.jpcb.2c03424
Autor:
Katerina Foteinopoulou, Miguel Herranz, Manuel Laso, Nikos Ch. Karayiannis, Pablo Miguel Ramos
Publikováno v:
Proceedings of Entropy 2021: The Scientific Tool of the 21st Century.
We present results from extensive off-lattice simulations on packings of flexible linear chains of hard spheres in the bulk and under confinement. We employ a Monte Carlo scheme, built around advanced, chain-connectivity-altering moves, for the short
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::537a0631ed80399df11366d163aa9789
https://doi.org/10.3390/entropy2021-09820
https://doi.org/10.3390/entropy2021-09820
Autor:
Nikos Ch. Karayiannis, Pablo Miguel Ramos, Miguel Herranz, Manuel Laso, Javier Benito, Oscar Parreño
Publikováno v:
Proceedings of Entropy 2021: The Scientific Tool of the 21st Century.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1978d735d0fb4f36ec4009e94d5bc512
https://doi.org/10.3390/entropy2021-09744
https://doi.org/10.3390/entropy2021-09744
Autor:
Miguel Herranz, Manuel Laso, Pablo Miguel Ramos, Nikos Ch. Karayiannis, Katerina Foteinopoulou
Publikováno v:
Crystals, Vol 10, Iss 1008, p 1008 (2020)
Crystals
Volume 10
Issue 11
Crystals
Volume 10
Issue 11
In the present work, we revise and extend the Characteristic Crystallographic Element (CCE) norm, an algorithm used to simultaneously detect radial and orientational similarity of computer-generated structures with respect to specific reference cryst
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3ca97d3da282e0c2a9b28e77e5d431c3
Publikováno v:
Polymers, Vol 12, Iss 799, p 799 (2020)
Polymers
Volume 12
Issue 4
Polymers
Volume 12
Issue 4
Monte Carlo (MC) simulations, built around chain-connectivity-altering moves and a wall-displacement algorithm, allow us to simulate freely-jointed chains of tangent hard spheres of uniform size under extreme confinement. The latter is realized throu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ff3828c83756f721beb53e521345701f
https://www.mdpi.com/2073-4360/12/4/799
https://www.mdpi.com/2073-4360/12/4/799
Publikováno v:
Journal of Computational Physics. 375:918-934
A new algorithmic approach is presented for the generation and successive equilibration of polymer configurations under conditions of extreme confinement where the inter-wall distance, in at least one dimension, approaches the diameter of the spheric
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8950fce9671159ba0d048b6b84b14200
https://doi.org/10.1016/j.jcp.2018.08.052
https://doi.org/10.1016/j.jcp.2018.08.052
Autor:
Nikos Ch. Karayiannis, Pablo Miguel Ramos, Miguel Herranz, Manuel Laso, Katerina Foteinopoulou
Publikováno v:
Polymers
Volume 13
Issue 9
Polymers, Vol 13, Iss 1352, p 1352 (2021)
Volume 13
Issue 9
Polymers, Vol 13, Iss 1352, p 1352 (2021)
We investigate, through Monte Carlo simulations, the heterogeneous crystallization of linear chains of tangent hard spheres under confinement in one dimension. Confinement is realized through flat, impenetrable, and parallel walls. A wide range of sy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::43a3d86c72807ce10b08a85967207b96
https://doi.org/10.3390/polym13091352
https://doi.org/10.3390/polym13091352
Publikováno v:
The First International Conference on Symmetry.
We present results from extensive Monte Carlo simulations on dense and nearly-jammed packings of chains of hard spheres of uniform size [...]
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c6b0c6a7bfa476b456c786765a7bd8d3
https://doi.org/10.3390/proceedings2010063
https://doi.org/10.3390/proceedings2010063