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(305) Production(s) de KOB W.
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Probing a Liquid to Glass Transition in Equilibrium 
Auteur(s): Kob W. , Berthier L.
(Article) Publié:
Physical Review Letters, vol. 110 p.245702 (2013)
PMID 25165938
DOI: 10.1103/PhysRevLett.110.245702
WoS: 000320282600010
101 Citations
Résumé: We use computer simulations to investigate the static properties of a simple glass-forming fluid in which the positions of a finite fraction of the particles have been frozen. By probing the equilibrium statistics of the overlap between independent configurations of the liquid, we find strong evidence that this random pinning induces a glass transition. At low temperatures, our numerical findings are consistent with the existence of a random first-order phase transition rounded by finite size effects.
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The properties of glass-forming systems at the Kauzmann temperature
Auteur(s): Kob W.
Conférence invité: 10th Pacific Rim Conference on Ceramic and Glass Technology (, US, 2013-06-02)
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The properties of a glass-forming system at its Kauzmann temperature
Auteur(s): Kob W.
Conférence invité: 12th International Conference on the Structure of Non-Crystalline Materials (, IT, 2013-07-07)
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Probing a Liquid to Glass Transition in Equilibrium
Auteur(s): Kob W.
Conférence invité: ViCoM Workshop (Wien, AT, 2013-04-04)
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First principles simulations of borosilicate glasses: interplay structure, electronic and vibrational properties
Auteur(s): Ispas S., Pedesseau L., Kob W.
Conference: 13ᵉ Journées de la Matière Condensée - JMC 13 (Montpellier, FR, 2012-08-25)
Ref HAL: hal-00836155_v1
Exporter : BibTex | endNote
Résumé: We present a study of the structural and dynamical properties of two borosilicate glasses of compositions Na2O-B2O3-SiO2 and Na2O-CaO-B2O3-SiO2, respectively. These compositions are thus similar to the glass wool that is used in our daily life. The study was carried out using first principles molecular dynamics simulations within the DFT framework as implemented in the VASP code. The samples contained about 300 atoms, which is rather demanding for ab initio calculations, but this size is necessary to the study of the intermediate order in glasses. In particular, we have investigated how boron atoms integrate and modify the silica network, how the presence of Na and Ca atoms affects the network connectivity We also investigate the correlations between the local environments of boron and oxygen atoms, and their atomic charges extracted from electron density based population analysis methods. Furthermore we have determined the vibrational properties and identified the contributions of the different species to the density of states. We find that 3- and 4-fold coordinated boron atoms give rise to specific features in the density of states. The infrared spectra of our glassy models is also presented and directly compared to experimental data.
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Influence of the glass transition on the liquid-gas spinodal decompositio
Auteur(s): Kob W.
(Séminaires)
Department of Physics (Cambridge, GB), 2012-11-09 |
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Static and Dynamic Length Scales in Glass-forming systems
Auteur(s): Kob W.
(Séminaires)
Department of Chemistry (Cambridge, GB), 2012-11-08 |
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