Publications

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Filters: Author is Roland Jean-Marc Pellenq  [Clear All Filters]
2010
Shahsavari R, Pellenq RJean-Marc, Ulm F-J.  2010.  Empirical force fields for complex hydrated calcio-silicate layered materials. Phys. Chem. Chem. Phys.. 13(3):1002-1011.
2011
Brochard L, Vandamme M, Pellenq RJean-Marc, Fen-Chong T.  2011.  Adsorption-induced deformation of microporous materials: coal swelling induced by co2–ch4 competitive adsorption. Langmuir. 28:2659–2670.
Jelea A, Colbert M., Ribeiro F., Tréglia G., Pellenq RJean-Marc.  2011.  An atomistic modelling of the porosity impact on UO2 matrix macroscopic properties. Journal of Nuclear Materials. 415(2):210-216.
Ho LNgoc, Pellitero JPerez, Porcheron F, Pellenq RJean-Marc.  2011.  Enhanced CO2 Solubility in Hybrid MCM-41: Molecular Simulations and Experiments. Langmuir. 27(13):8187-8197.
Youssef M, Pellenq RJean-Marc, Yildiz B.  2011.  Glassy Nature of Water in an Ultraconfining Disordered Material: The Case of Calcium−Silicate−Hydrate. Journal of the American Chemical Society. 133(8):2499-2510.
Manzano H, Durgun E, Qomi M J A, Ulm F-J, Pellenq RJean-Marc, Grossman JC.  2011.  Impact of Chemical Impurities on the Crystalline Cement Clinker Phases Determined by Atomistic Simulations. Crystal Growth & Design. 11(7):2964-2972.
Los J.H, Pellenq RJean-Marc.  2011.  Reply to “Comment on ‘Determination of the bulk melting temperature of nickel using Monte Carlo simulations: Inaccuracy of extrapolation from cluster melting temperatures' ”. Physical Review B. 84(9):ArticleNumber:096103.
Pellenq RJean-Marc, Whittle AJ, Ebrahimi D.  2011.  Springer Series in Geomechanics and Geoengineering Multiscale and Multiphysics Processes in Geomechanics SIMULATION OF HYDRATION AND ELASTIC PROPERTIES OF MONTMORILLONITE USING MOLECULAR DYNAMICS. International Workshop on Multiscale and Multiphysics Processes in Geomechanics. Springer Series in Geomechanics and Geoengineering:105-108.
Los J.H, Bichara C, Pellenq RJean-Marc.  2011.  Tight binding within the fourth moment approximation: Efficient implementation and application to liquid Ni droplet diffusion on graphene. Physical Review B. 84(8):ArticleNumber:085455.
2012
Ji Q, Pellenq RJean-Marc, Van Vliet KJ.  2012.  Comparison of computational water models for simulation of calcium-silicate-hydrate. Computational Materials Science. 53(1):234-240.
Manzano H, Moeini S, Marinelli F, Van Duin ACT, Ulm F-J, Pellenq RJean-Marc.  2012.  Confined water dissociation in microporous defective silicates: Mechanism, dipole distribution, and impact on substrate properties. Journal of the American Chemical Society. 134(4):2208–2215.
Ho LNgoc, Perez-Pellitero J, Porcheron F, Pellenq RJean-Marc.  2012.  Enhanced CO2 solubility in hybrid adsorbents: optimization of solid support and solvent properties for CO2 capture. The Journal of Physical Chemistry C. 116(5):3600–3607.
Qomi M J A, Ulm F-J, Pellenq RJean-Marc.  2012.  Evidence on the Dual Nature of Aluminum in the Calcium-Silicate-Hydrates Based on Atomistic Simulations. Journal of the American Ceramic Society. 95(3):1128–1137.
Manzano H, Pellenq RJean-Marc, Ulm F-J, Buehler MJ, Van Duin ACT.  2012.  Hydration of calcium oxide surface predicted by reactive force field molecular dynamics. Langmuir. 28(9):4187–4197.
Ebrahimi D, Pellenq RJean-Marc, Whittle AJ.  2012.  Nanoscale Elastic Properties of Montmorillonite upon Water Adsorption. Langmuir. 28(49):16855–16863.
Masoero E, Del Gado E, Pellenq RJean-Marc, Ulm F-J, Yip S.  2012.  Nanostructure and nanomechanics of cement: polydisperse colloidal packing. Physical review letters. 109(15):ArticleNumber:155503.
Brochard L, Vandamme M, Pellenq RJean-Marc.  2012.  Poromechanics of microporous media. Journal of the Mechanics and Physics of Solids. 60(4):606–622.
Van Vliet KJ, Pellenq RJean-Marc, Buehler MJ, Grossman JC, Jennings HM, Ulm F-J, Yip S.  2012.  Set in stone? A perspective on the concrete sustainability challenge MRS bulletin. 37(4):395–402.
Bonnaud PA, Coasne BA, Pellenq RJean-Marc.  2012.  Solvated calcium ions in charged silica nanopores. The Journal of Chemical Physics. 137(6):ArticleNumber:064706.
Bichara C, Marsal P, Mottet C, Pellenq RJean-Marc, Ribeiro F., Saùl A, Tréglia G., Weissker H–C.  2012.  Structure and properties of nanoscale materials: theory and atomistic computer simulation. International Journal of Nanotechnology. 9(3-7):576–604.
Bonnaud PA, Ji Q, Coasne BA, Pellenq RJean-Marc, Van Vliet KJ.  2012.  Thermodynamics of Water Confined in Porous Calcium-Silicate-Hydrates. Langmuir. 28(31):11422-11432.
Durgun E, Manzano H, Pellenq RJean-Marc, Grossman JC.  2012.  Understanding and Controlling the Reactivity of the Calcium Silicate phases from First Principles. Chemistry of Materials. 24(7):1262–1267.
2013
Coasne BA, Galarneau A, Pellenq RJean-Marc, Di Renzo F.  2013.  Adsorption, intrusion and freezing in porous silica: the view from the nanoscale. Chemical Society Reviews. 42(9):4141-4171.
Carrier B, Wang L, Vandamme M, Pellenq RJean-Marc, Bornert M, Tanguy A, Van Damme H.  2013.  ESEM Study of the Humidity-Induced Swelling of Clay Film. Langmuir. 29(41):12823–12833.
Levitz PE, Bonnaud PA, Cazade P-A, Pellenq RJean-Marc, Coasne BA.  2013.  Molecular intermittent dynamics of interfacial water: probing adsorption and bulk confinement. Soft Matter. 9(36):8654-8663.

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