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129 Documents classés par : 
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Slow diffusional dynamics of water in cement nanopores: Multiscale challenges for atomistic modeling (topic leader)
Kalinichev A. G., Kirkpatrick R. J.
International US-Poland Workshop "Multiscale Computational Modeling of Cementitious Materials", Pologne (2012) [in2p3-00769185 - version 1]
Mineral-fluid interactions on the molecular scale: Computational atomistic modeling of clay-related materials for geochemical and environmental applications
Kalinichev A. G.
Invited seminar at the Institute of Geological Sciences, Polish Academy of Sciences, Pologne (2012) [in2p3-00769160 - version 1]
Molecular Modeling of the Swelling Properties and Interlayer Structure of Cs, and K-Montmorillonites: Effects of Charge Distribution in the Clay Layers
Ngouana Wakou B. F., Kalinichev A. G.
XIIIe journées nationale de radiochimie et de chimie nucléaire, France (2012) [in2p3-00769157 - version 1]
Molecular Dynamics Simuation of Cs+ on the Hydrated Muscovite Surface: Local Structural Environment and Dynamics
Narasimhan L., Kalinichev A. G.
XIIIe journées nationale de radiochimie et de chimie nucléaire, France (2012) [in2p3-00769158 - version 1]
An off-line method to characterize the fission product release from uranium carbide-target prototypes developed for SPIRAL2 project
Hy B., Barré-Boscher N., Roussiere B., Tusseau-Nenez S., Lau C. et al
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 288 (2012) 34-41 [hal-00816939 - version 1]
Computational molecular modeling of mineral-water interfaces for geochemical and environmental applications (invited lecture)
Kalinichev A. G.
VIII International School of Earth's Sciences I.S.E.S., Ukraine (2012) [in2p3-00769187 - version 1]
fulltext access Influence of mesostructuration on the reactivity of bioactive glasses in biological medium: a PIXE-RBS study
Soulié J., Lao J., Jallot E., Nedelec J.-M.
Journal of Materials Chemistry 22, 38 (2012) 20680 - 20688 [hal-00731072 - version 1]
(87)Sr solid-state NMR as a structurally sensitive tool for the investigation of materials: antiosteoporotic pharmaceuticals and bioactive glasses.
Bonhomme C., Gervais C., Folliet N., Pourpoint F. Pourpoin@ccr.Jussieu.Fr, Coelho Diogo C. et al
Journal of the American Chemical Society 134, 30 (2012) 12611-12628 [hal-00726394 - version 1]
Structure and Energetics of Smectite Interlayer Hydration: Molecular Dynamics Investigations of Na- and Ca Hectorite
Morrow C. P., Yazaydin A. O., Bowers G. M., Kalinichev A. G., Kirkpatrick R. J.
Symposium 8g: Structure and dynamics of ions and water at mineral-water interfaces: insights from experimental and computational studies, 2012 Goldschmidt Conference, Canada (2012) [in2p3-00769208 - version 1]
Molecular structure and dynamics of nano-confined aqueous solutions: Computer simulations of clay, cement, and polymer membranes
Kalinichev A. G.
NATO Advanced Research Workshop on the Physical Chemistry of Capillary and Bound/Confined Liquids, Israel (2012) [in2p3-00769209 - version 1]