Zobrazeno 1 - 10
of 103
pro vyhledávání: '"Rémi Jullien"'
Publikováno v:
Journal of Physics: Condensed Matter
Journal of Physics: Condensed Matter, IOP Publishing, 2003, 15, pp.L431-L437
Journal of Physics: Condensed Matter, IOP Publishing, 2003, 15, pp.L431-L437
To find the origin of the diffusion channels observed in sodium-silicate glasses, we have performed classical molecular dynamics simulations of Na$_2$O--4SiO$_2$ during which the mass of the Si and O atoms has been multiplied by a tuning coefficient.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8a45c66805d928417c14f8b5d8c3d017
https://doi.org/10.1088/0953-8984/15/26/102
https://doi.org/10.1088/0953-8984/15/26/102
Publikováno v:
The European Physical Journal B - Condensed Matter. 33:355-363
An extension of the Voronoi tessellation, the Laguerre polyhedral decomposition, is introduced and applied to the analysis of the packing geometry of amino-acids in folded proteins. This method considers an ensemble of points with different weights a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b932ccb9eba334cf580da1232b2550d8
https://doi.org/10.1140/epjb/e2003-00176-5
https://doi.org/10.1140/epjb/e2003-00176-5
Publikováno v:
Journal of Physics: Condensed Matter. 15:S1659-S1671
We use classical molecular dynamics simulations to study the motion of sodium atoms in amorphous Na2O – 4SiO2 over a wide range of temperatures below and above the glass transition temperature Tg. We find that the region of space most visited by th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ef33be4852387d62b4a4a0e06c026862
https://doi.org/10.1088/0953-8984/15/16/313
https://doi.org/10.1088/0953-8984/15/16/313
Publikováno v:
Journal of Non-Crystalline Solids. :946-955
The structural properties of glassy and liquid sodium tetrasilicate Na2Si4O9 are studied by Car–Parrinello molecular dynamics simulations. The results are compared to those obtained for the same samples by classical molecular dynamics simulations u
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5d282582415183b46faf05ac3f6a623c
https://doi.org/10.1016/s0022-3093(02)01549-1
https://doi.org/10.1016/s0022-3093(02)01549-1
Publikováno v:
Journal of Non-Crystalline Solids. :939-945
We study the dynamics of the sodium atoms in amorphous Na2O–4SiO2 using classical molecular-dynamics simulations. We find that the sodium trajectories form a well connected network of pockets and pathways intimately related to the location of the n
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::07570a3e1521efc10bbc9b0ddcc1e5db
https://doi.org/10.1016/s0022-3093(02)01548-x
https://doi.org/10.1016/s0022-3093(02)01548-x
Publikováno v:
Philosophical Magazine B. 82:597-606
We study the dynamics of the Na atoms in amorphous Na2O-4SiO2 by means of molecular dynamics computer simulations. We find that at low temperatures the preferential pathways of these atoms form a well-connected network of pockets and channels that is
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::36adfe76fc5d3045e002d7024d93d0de
https://doi.org/10.1080/13642810208223148
https://doi.org/10.1080/13642810208223148
Publikováno v:
Journal of Non-Crystalline Solids. 287:201-209
We propose a phase space approach to understanding non-exponential relaxation above the glass temperature in complex physical systems. Relaxation of a system consisting of many interacting elements (atoms, molecules, spins, etc.) at a given temperatu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ef311ba8b237cfdcd0427d516641429f
https://doi.org/10.1016/s0022-3093(01)00628-7
https://doi.org/10.1016/s0022-3093(01)00628-7
Publikováno v:
Journal of Non-Crystalline Solids. 285:216-221
Aerogel is a highly compliant material, whose elastic modulus scales with its relative density with an exponent between 3 and 4; however, the underlying physics is not understood. The diffusion-limited cluster–cluster aggregation (DLCA) was combine
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::876aee01a008f95f35f190692fbf5fda
https://doi.org/10.1016/s0022-3093(01)00456-2
https://doi.org/10.1016/s0022-3093(01)00456-2
Publikováno v:
Journal of Physics: Condensed Matter. 13:5413-5426
We have developed a realistic model for silica aerogels based on a diffusion-limited cluster-cluster aggregation model in three dimensions with a primary particle represented by a sample of vitreous silica given by molecular dynamics simulations. Usi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::df433c70d30da8d1af9df863a6ed4966
https://doi.org/10.1088/0953-8984/13/23/302
https://doi.org/10.1088/0953-8984/13/23/302
Publikováno v:
Journal of Non-Crystalline Solids. 277:127-141
The elastic moduli (E) of high-porosity materials (such as aerogels) exhibit power-law scaling with their relative densities (rho), E proportional to rho (m)(,) where 3 less than or equal to m less than or equal to 4, but the physics responsible for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1f874aeecfef03677ab2db105a5d0ec7
https://doi.org/10.1016/s0022-3093(00)00288-x
https://doi.org/10.1016/s0022-3093(00)00288-x