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(408) Production(s) de l'année 2015
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Ionic transport through sub-10 nm diameter hydrophobic high-aspect ratio nanopores: experiment, theory and simulation
Auteur(s): Balme Sébastien, Picaud Fabien, Manghi Manoel, Palmeri J., Bechelany Mikhael, Cabello-Aguilar Simon, Abou Chaaya Adib, Miele Philippe, Balanzat Emmanuel, Janot Jean-Marc
(Article) Publié:
Scientific Reports, vol. 5 p.10135 (2015)
Texte intégral en Openaccess :
Ref HAL: hal-01162029_v1
DOI: 10.1038/srep10135
WoS: 000355647800001
Exporter : BibTex | endNote
45 Citations
Résumé: Fundamental understanding of ionic transport at the nanoscale is essential for developing biosensors based on nanopore technology and new generation high-performance nanofiltration membranes for separation and purification applications. We study here ionic transport through single putatively neutral hydrophobic nanopores with high aspect ratio (of length L = 6 μm with diameters ranging from 1 to 10 nm) and with a well controlled cylindrical geometry. We develop a detailed hybrid mesoscopic theoretical approach for the electrolyte conductivity inside nanopores, which considers explicitly ion advection by electro-osmotic flow and possible flow slip at the pore surface. By fitting the experimental conductance data we show that for nanopore diameters greater than 4 nm a constant weak surface charge density of about 10−2 C m−2 needs to be incorporated in the model to account for conductance plateaus of a few pico-siemens at low salt concentrations. For tighter nanopores, our analysis leads to a higher surface charge density, which can be attributed to a modification of ion solvation structure close to the pore surface, as observed in the molecular dynamics simulations we performed.
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An introduction to Monte Carlo methods
Auteur(s): Walter J.-C., Barkema Gerard
(Article) Publié:
Physica A: Statistical Mechanics And Its Applications, vol. 418 p.78-87 (2015)
Texte intégral en Openaccess :
Ref HAL: hal-01052694_v1
Ref Arxiv: 1404.0209
DOI: 10.1016/j.physa.2014.06.014
WoS: 000346213300006
Ref. & Cit.: NASA ADS
Exporter : BibTex | endNote
41 Citations
Résumé: Monte Carlo simulations are methods for simulating statistical systems. The aim is to generate a representative ensemble of configurations to access thermodynamical quantities without the need to solve the system analytically or to perform an exact enumeration. The main principles of Monte Carlo simulations are ergodicity and detailed balance. The Ising model is a lattice spin system with nearest neighbor interactions that is appropriate to illustrate different examples of Monte Carlo simulations. It displays a second order phase transition between a disordered (high temperature) and ordered (low temperature) phases, leading to different strategies of simulations. The Metropolis algorithm and the Glauber dynamics are efficient at high temperature. Close to the critical temperature, where the spins display long range correlations, cluster algorithms are more efficient. We introduce the rejection free (or continuous time) algorithm and describe in details an interesting alternative representation of the Ising model using graphs instead of spins with the Worm algorithm. We conclude with an important discussion of the dynamical effects such as thermalization and correlation time.
Commentaires: 19 pages, 6 figures, to appear in Physica A
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Wall-crossing in N=2 theories: Smooth Index and Generalized Theta Series
Auteur(s): Alexandrov S.
Conférence invité: Théorie des Cordes en France (Paris, FR, 2015-05-26)
Ref HAL: hal-01160075_v1
Exporter : BibTex | endNote
Résumé: I'll present the construction of an index in 4d N=2 supersymmetric gauge theories which is smooth across walls of marginal stability and appears as a natural generalization of the CFIV index in two-dimensional theories. I'll explain its physical and geometric interpretation originating in the hyperkahler structure of the 3d theory obtained by compactification on a circle. In the end, I'll also briefly discuss the behavior under wall-crossing of certain generalized theta series which appear, in particular, in the description of NS5-brane instantons in Calabi-Yau compactifications of type II strings.
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Multiphoton and Raman microscopy of live cells: applications for mammalian cancerous cells and sensory and moto-neurons.
Auteur(s): Gergely C.
Conférence invité: Tools for nanoscale imaging in cells and biological systems: nanodiamond and beyond (Prague, CZ, 2015-04-29)
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Graphite Nanoplatelets Composite Materials: Role of the Epoxy-System in the Thermal Conductivity
Auteur(s): Diaz-Chacon L., Metz R., Dieudonne-George P., Bantignies J.-L., Tahir S., Hassanzadeh M., Sosa E, Atencio R
(Article) Publié:
Journal Of Materials Science And Chemical Engineering, vol. 3 p.75-87 (2015)
Texte intégral en Openaccess :
Ref HAL: hal-01158722_v1
DOI: 10.4236/msce.2015.35009
Exporter : BibTex | endNote
Résumé: Polymers typically have intrinsic thermal conductivity much lower than other materials. Enhancement of this property may be obtained by the addition of conductive fillers. In this research, epoxy nanocomposites with exfoliated graphite nanoplatelets are prepared and characterized. The chosen approach requires no surface treatment and no sophisticated equipments allowing one to produce composites on a pilot scale. A significant increase of the thermal conductivity with the increasing of the graphite fillers content is nevertheless observed on 4 mm thick specimens. Our results viewed in the latest scientific findings suggest that the choice of resin is an important parameter to move towards composite materials with high thermal conductivity.
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Phonon signature of the high-pressure rocksalt phase of InN
Auteur(s): Kunc Karel, Polian Alain, Demangeot François, Briot O.
(Article) Publié:
Physica Status Solidi B, vol. 252 p.2104–2110 (2015)
Texte intégral en Openaccess :
Ref HAL: hal-01158625_v1
DOI: 10.1002/pssb.201552126
WoS: 000360671200028
Exporter : BibTex | endNote
Résumé: Phonon dispersion ω(q) and phonon density of states g(ω) of the high-pressure rocksalt phase of InN are calculated ab initio, at different pressures, using the density functional perturbation theory. Born effective charge e ∗ T , LDA values of dielectric con- stant ∞ and of the electronic gap E g are obtained as well. Building on the theoretical knowledge of phonon frequencies and their evolution with pressure, we attempt to interpret the set of six bands found previously in Raman spectra of epitaxial layers and of InN-nanowires.
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