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Structure, vibration, relaxations dans les systèmes désordonnés
(32) Production(s) de l'année 2021
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Connecting real glasses to mean-field models
Auteur(s): Nandi U. k., Kob W., Bhattacharyya S.m.
(Article) Publié:
The Journal Of Chemical Physics, vol. 154 p.094506 (2021)
Texte intégral en Openaccess :
Ref HAL: hal-03171939_v1
DOI: 10.1063/5.0038749
Exporter : BibTex | endNote
Résumé: We propose a novel model for a glass-forming liquid which allows to switch in a continuous manner froma standard three-dimensional liquid to a fully connected mean-field model. This is achieved by introducingk additional particle-particle interactions which thus augments the effective number of neighbors of eachparticle. Our computer simulations of this system show that the structure of the liquid does not changewith the introduction of these pseudo neighbours and by means of analytical calculations, we determine thestructural properties related to these additional neighbors. We show that the relaxation dynamics of thesystem slows down very quickly with increasing k and that the onset and the mode-coupling temperaturesincrease. The systems with high values of k follow the MCT power law behaviour for a larger temperaturerange compared to the ones with lower values of k. The dynamic susceptibility indicates that the dynamicheterogeneity decreases with increasing k whereas the non-Gaussian parameter is independent of it. Thus weconclude that with the increase in the number of pseudo neighbours the system becomes more mean-field like.By comparing our results with previous studies on mean-field like system we come to the conclusion that thedetails of how the mean-field limit is approached are important since they can lead to different dynamicalbehavior in this limit.
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Raman resonance tuning of quaterthiophene in filled carbon nanotubes at high pressures
Auteur(s): Alencar R. S., Aguiar A. L., Ferreira R. S., Chambard R., Jousselme B., Bantignies J.-L., Weigel C., Clement S., Aznar R., Machon D., Souza Filho A. G., San-Miguel A., Alvarez L.
(Article) Publié:
Carbon, vol. 173 p.163-173 (2021)
Texte intégral en Openaccess :
Ref HAL: hal-03163018_v1
DOI: 10.1016/j.carbon.2020.10.083
WoS: WOS:000613132200003
Exporter : BibTex | endNote
Résumé: Filling carbon nanotubes with molecules is a route for the development of electronically modified one-dimensional hybrid structures for which the interplay between the electronic structure of molecules and nanotubes is a key factor. Tuning these energy levels with external parameters is an interesting strategy for the engineering of new devices and materials. Here we show that the hybrid system composed by quaterthiophene (4T) molecules confined in single-walled carbon nanotubes, presents a piezo-Raman-resonance of the molecule vibrational pattern. This behavior manifests as a rapid pressure induced enhancement of the 4T Raman mode intensities compared to the tubes G-band Raman modes. Density functional theory calculations allow to explain the spectral behaviour through the pressure-enhanced quaterthiophene resonance evolution. By increasing pressure, the tube cross-section deformation leads to a reduction of the intermolecular distance, to the splitting of the molecular levels and then to an increase of resonance channels. Calculations and experiments converge to the 4T piezo-resonance scenario associated with the pressure-induced nanotube radial collapse observed at about 0.8 GPa. Our findings offer possibilities for the development of pressure transducers based on molecule-filled carbon nanotubes.
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Friction-Controlled Entropy-Stability Competition in Granular Systems
Auteur(s): Sun X., Kob W., Blumenfeld R., Tong H., Wang Y., Zhang J.
(Article) Publié:
Physical Review Letters, vol. 125 p.268005 (2021)
Texte intégral en Openaccess :
Ref HAL: hal-03117915_v1
Ref Arxiv: 2007.14145
DOI: 10.1103/PhysRevLett.125.268005
Ref. & Cit.: NASA ADS
Exporter : BibTex | endNote
Résumé: Using cyclic shear to drive a two dimensional granular system, we determine the structural char-acteristics for different inter-particle friction coefficients. These characteristics are the result of acompetition between mechanical stability and entropy, with the latter’s effect increasing with fric-tion. We show that a parameter-free maximum-entropy argument alone predicts an exponential cell order distribution, with excellent agreement with the experimental observation. We show thatfriction only tunes the mean cell order and, consequently, the exponential decay rate and the pack-ing fraction. We further show that cells, which can be very large in such systems, are short-lived,implying that our systems are liquid-like rather than glassy..
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