Program
Wednesday, December 7, 2016
| Time |
Event |
|
|
09:00 - 09:15
|
Welcome address - Pierre Levitz and Roland Pellenq |
|
|
09:15 - 10:45
|
Introductory lectures |
|
| 09:15 - 09:45 |
› From statistical physics of complex materials to cement hydrates - Emanuela Del Gado, Georgetown University |
|
| 09:45 - 10:15 |
› Materials advances for better Li(Na)-ion batteries: can theory help ? - Jean-Marie Tarascon, Chimie du Solide-Energie, UMR 3680, Collège de France, Réseau sur le stockage électrochimique de l'énergie |
|
| 10:15 - 10:45 |
› Advances in high-resolution imaging of materials using x-ray synchrotron radiation - Paulo Monteiro, University of California at Berkeley |
|
|
10:45 - 11:20
|
Coffee break |
|
|
11:20 - 12:30
|
Nano-micro poromechanics (Part I) |
|
| 11:20 - 11:50 |
› Microstructure and macroscopic mechanical properties: polarization techniques to the rescue - Sébastien Brisard, Laboratoire Navier |
|
| 11:50 - 12:10 |
› Effects of surfaces on the mechanical properties of nanoscale materials - Gyorgy Hantal, Laboratoire des Fluides Complexes et leurs Réservoirs - Gilles Pijaudier-Cabot, Laboratoire des Fluides Complexes et leurs Réservoirs |
|
| 12:10 - 12:30 |
› Numerical Assessment of Kerogen's Flexibility at the Atomistic Scale - Pierre-Louis Valdenaire, Massachusetts Institute of Technology (MIT), Multi-Scale Materials Science for Energy and Environment |
|
|
12:30 - 14:00
|
Lunch (Buffet) + Posters |
|
|
14:00 - 16:00
|
Multiscale materials for batteries and supercapacitors |
|
| 14:00 - 14:30 |
› Ion adsorption and transport in porous carbons electrodes: application to Electrochemical Capacitors - Patrice Simon, Université Paul Sabatier Toulouse III,, FR CNRS 5085 |
|
| 14:30 - 15:00 |
› NMR study of charge storage mechanisms and ion dynamics in supercapacitors - Céline Merlet, Department of Chemistry (Cambridge, UK) |
|
| 15:00 - 15:20 |
› Multi-Scale Dynamics of free and confined ionic liquids - Dominique Petit, Laboratoire Charles Coulomb |
|
| 15:20 - 15:40 |
› COMPUTATIONAL STUDY OF GRAPHENE-BASED SUPERCAPACITORS - Trinidad Méndez Morales, Maison de la Simulation - CEA |
|
| 15:40 - 16:00 |
› Marcus free energies for the Fe3+/Fe2+ couple in ionic liquids - Zhujie LI, Maison de la Simulation |
|
|
16:00 - 16:30
|
Coffee break |
|
|
16:30 - 17:50
|
Nano-micro poromechanics (Part II) |
|
| 16:30 - 16:50 |
› Characterisation of the confinement state of a fluid in a nanometric split pore by density functional theory in the context of adsorption-induced swelling in microporous media - David Grégoire, Laboratoire des Fluides Complexes et leurs Réservoirs |
|
| 16:50 - 17:10 |
› A possible nano-scale origin of the surprising thermal expansion of clays - Laurent Brochard, Laboratoire Navier |
|
| 17:10 - 17:30 |
› Experimental study of stresses induced in model cement-based materials by in-pore crystallization - Matthieu Vandamme, Universite Paris-Est, Laboratoire Navier (UMR 8205), CNRS, ENPC, IFSTTAR, F-77455 |
|
| 17:30 - 17:50 |
› Molecular-to-continuum poroelasticity upscaling of hydrating cement pastes, considering progressive C-S-H gel densification - Christian Hellmich, Institute for Mechanics of Materials and Structures, Vienna University of Technology, TU Wien - Vienna University of Technology |
|
Thursday, December 8, 2016
| Time |
Event |
|
|
09:00 - 10:30
|
Dynamics and thermodynamics of confined fluids (Part I) |
|
| 09:00 - 09:30 |
› Mesoscale modelling of cement hydrates: application to freeze-thaw damage - Katerina Ioannidou, Massachusets Institute of Technology |
|
| 09:30 - 10:00 |
› A multiscale investigation of structure and dynamics of water confined in swelling clay porous media - Eric Ferrage, INSTITUT DE CHIMIE DES MILIEUX ET MATERIAUX DE POITIERS |
|
| 10:00 - 10:30 |
› Intermolecular forces between C-S-H Layers - Mohammad Javad Abdolhosseini Qomi, University of California - Irvine |
|
|
10:30 - 11:00
|
Coffee break |
|
|
11:00 - 12:40
|
Dynamics and thermodynamics of confined fluids (Part II) |
|
| 11:00 - 11:20 |
› NICKEL-CARBON NANOPARTICLES: SIZE DEPENDENT PHASE DIAGRAMS AND INTERACTION WITH GRAPHENIC LAYERS - Yann Magnin, Centre Interdisciplinaire de Nanoscience de Marseille, Aix-Marseille University and CNRS |
|
| 11:20 - 11:40 |
› Transport of Hydrocarbons Mixtures in Disordered Nanoporous Materials - Obliger Amael, Massachusetts Institute of Technology (MIT), Multi-Scale Materials Science for Energy and Environment |
|
| 11:40 - 12:00 |
› Permeation of supercritical fluids through nanoporous constrictions : theory and simulations - Fouad Oulebsir, LFC-R, Université de Pau et des Pays de l'Adour |
|
| 12:00 - 12:20 |
› Non-equilibrium simulations of flow in clay nanopores using a wall thermostat - Pauline Simonnin, Université Pierre et Marie Curie - Paris 6, IFP Energies Nouvelles |
|
| 12:20 - 12:40 |
› Probing saturation, dynamics and wettability of oil and water in Shale Oils - Jean-Pierre Korb, Sorbonne Université, UPMC Univ. Paris 06, Laboratoire Physicochimie des Electrolytes, Nanosystèmes Interfaciaux |
|
|
12:40 - 14:00
|
Lunch (Buffet) + Posters |
|
|
14:00 - 15:40
|
New synthetic approaches to multiscale porous materials (Part I) |
|
| 14:00 - 14:30 |
› Coupling soft chemistry and processing for designing hierarchical functional materials. - Cédric Boissière, Laboratoire de Chimie de la Matière Condensée de Paris (site Collège de France) |
|
| 14:30 - 15:00 |
› Looking for nano in nano: heterostructures within nanomaterials - David Portehault, Lab. Chimie de la Matière Condensée de Paris |
|
| 15:00 - 15:20 |
› Radiolytic hydrogren emissions: from hydrates to cement pastes - Adeline Dannoux-Papin, CEA - Jérémy Haas, CEA |
|
| 15:20 - 15:40 |
› DEGRADATION OF ORGANIC MATTER UNDER GEOLOGICAL CONDITIONS: A ROUTE TOWARDS THERMODYNAMIC SOLID/FLUID EQUILIBRIUM USING REPLICA EXCHANGE MOLECULAR DYNAMICS SIMULATIONS - Léa Atmani, CINAM and UMI-CNRS-MIT |
|
|
15:40 - 16:20
|
Coffee break |
|
|
16:20 - 18:10
|
New synthetic approaches to multiscale porous materials (Part II) |
|
| 16:20 - 16:50 |
› Irradiation-Induced Damage in Concrete: The Enthalpy Landscape Viewpoint - Mathieu Bauchy, Physics of AmoRphous and Inorganic Solids Laboratory |
|
| 16:50 - 17:10 |
› Modeling soft-particle materials: shear behavior and effect of porosity - Saeid Nezamabadi, Laboratoire de Mécanique et Génie Civil (LMGC), Université de Montpellier, CNRS, Montpellier, France |
|
| 17:10 - 17:30 |
› Atomic-scale modeling of the Alkali-Silica Reaction - Alice Dufresne, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology (MIT), 77 Massachusetts Avenue, Cambridge, 02139, MA, USA, Multi-Scale Materials Science for Energy and Environment 2, the joint MIT-CNRS laboratory, MIT, 77 Massachusetts Avenue, Cambridge, 02139, MA, USA |
|
| 17:30 - 17:50 |
› Effect of hydration temperature on the pore structure of cement paste - SARA BAHAFID, Ecole des Ponts ParisTech/ Laboratoire Navier/ CERMES |
|
| 17:50 - 18:10 |
› Hydrophobization of Silica Nanoparticles in Water: Resulting Porous Nanostructure and Response to Drying Stress - Jean-Baptiste d'Espinose de Lacaillerie, Sciences et Ingénierie de la Matière Molle |
|
|
19:30 - 22:00
|
Conference Dinner |
|
| Time |
Event |
|
|
09:00 - 10:30
|
Multiscale materials of our cultural heritage: challenges and perspectives |
|
| 09:00 - 09:30 |
› A few challenges posed by multiscale ancient materials - Loïc Bertrand, Institut photonique d'analyse non-destructive européen des matériaux anciens, Synchrotron SOLEIL |
|
| 09:30 - 10:00 |
› Multiscale approaches to characterize historical oil paintings - Laurence de Viguerie, Laboratoire d'Archéologie Moléculaire et Structurale |
|
| 10:00 - 10:30 |
› Neutron imaging investigation of fossil woods: non-destructive characterization of microstructure and detection of in-situ changes. - Laurent Michot, Phenix CNRS Sorbonne Université UPMC |
|
|
10:30 - 11:00
|
Coffee break |
|
|
11:00 - 12:40
|
New developments in imaging multiscale porous materials |
|
| 11:00 - 11:30 |
› In situ multi-scale tomographic imaging of topological changes in phase-separated glasses - Emmanuelle Gouillart, Unité mixte CNRS/Saint-Gobain Surface du Verre et Interfaces |
|
| 11:30 - 12:00 |
› Experimental characterization of the organic pore network of source rocks at the nano-scale - Jeremie Berthonneau, Massachusets Institute of Technology |
|
| 12:00 - 12:20 |
› Morphological characterization of ceramic membranes from 3D X-ray computed tomography - Jonathan Perrin, CINAM, Université Aix-Marseille |
|
| 12:20 - 12:40 |
› STRUCTURE AND PROPERTY ALTERATIONS IN GRAPHITE UNDER HIGH ELECTRON DOSE: A COMBINED TEM/MD INVESTIGATION - Jean-Marc Leyssale, Laboratoire des Composites ThermoStructuraux |
|
|
12:40 - 12:45
|
Closing words - Pierre Levitz and Roland Pellenq |
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