Publications

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Journal Article
Contreras RJaimes, Berger N, Izard E, Douce J-F, Koltsov A, Delenne J-Y, Azéma E, Nezamabadi S, van Loo F, Pellenq RJean-Marc et al..  2017.  Cohesive strength of iron ore granules. EPJ Web of Conferences. 140(10141146):ArticleNumber08020.
Qomi M J A, Krakowiak KJ, Bauchy M, Stewart K.L., Shahsavari R, Jagannathan D., Brommer D.B., Baronnet A, Buehler MJ, Yip S et al..  2014.  Combinatorial molecular optimization of cement hydrates. Nat Commun. 5:ArticleNumber:4960.
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.
Ioannidou K, Pellenq RJean-Marc, Del Gado E.  2014.  Controlling local packing and growth in calcium-silicate-hydrate gels. Soft Matter. 10(8):1121-1133.
Berthonneau J, Hoover CG, Grauby O, Baronnet A, Pellenq RJean-Marc, Ulm F-J.  2017.  Crystal-chemistry control of the mechanical properties of 2:1 clay minerals. Applied Clay Science. 143:387-398.
Qomi M J A, Noshadravan A, Sobstyl JM, Toole J, Ferreira J, Pellenq RJean-Marc, Ulm F-J, Gonzalez MC.  2016.  Data analytics for simplifying thermal efficiency planning in cities. Journal of The Royal Society Interface. 13(117):ArticleNumber:20150971.
Laubie H, Monfared S, Radjaï F, Pellenq RJean-Marc, Ulm F-J.  2017.  Disorder-induced stiffness degradation of highly disordered porous materials. Journal of the Mechanics and Physics of Solids. 106
Youssef M, Pellenq RJean-Marc, Yildiz B.  2014.  Docking 90 Sr radionuclide in cement: An atomistic modeling study. Physics and Chemistry of the Earth, Parts A/B/C. 70–71:39–44.
Youssef M, Pellenq RJean-Marc, Yildiz B.  2014.  Docking Sr-90 radionuclide in cement: An atomistic modeling study. Physics and Chemistry of the Earth. 70-71:39-44.
Falk KI, Pellenq RJean-Marc, Ulm F-J, Coasne BA.  2015.  Effect of Chain Length and Pore Accessibility on Alkane Adsorption in Kerogen. Energy & Fuels. 29(12):7889-7896.
Taiebat M, Mutabaruka P, Pellenq RJean-Marc, Radjaï F.  2017.  Effect of particle size distribution on 3D packings of spherical particles. EPJ Web of Conferences. 140:ArticleNumber02030.
Ebrahimi D, Whittle AJ, Pellenq RJean-Marc.  2016.  Effect of Polydispersity of Clay Platelets on the Aggregation And Mechanical Properties of Clay at the Mesoscale. Clays and Clay Minerals. 64(4 Special Issue: SI):425-437.
Falk KI, Coasne BA, Pellenq RJean-Marc.  2014.  Effect of temperature on adsorption of mixtures in porous materials. Molecular Simulation. 40(1-3 Special Issue: SI):45-51.
Carrier B, Vandamme M, Pellenq RJean-Marc, Bornert M, Ferrage E, Hubert F, Van Damme H.  2016.  Effect of Water on Elastic and Creep Properties of Self-Standing Clay Films. Langmuir. 32(5):1370-1379.
Laubie H, Monfared S, Radjaï F, Pellenq RJean-Marc, Ulm F-J.  2017.  Effective Potentials and Elastic Properties in the Lattice-Element Method: Isotropy and Transverse Isotropy. Journal of Nanomechanics and Micromechanics. 7(3):ArticleNumber:UNSP04017007.
Carrier B, Vandamme M, Pellenq RJean-Marc, Van Damme H.  2014.  Elastic Properties of Swelling Clay Particles at Finite Temperature upon Hydration. Journal of Physical Chemistry C. 118(17):8933-8943.
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.
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.
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.
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.
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.
Berthonneau J, Grauby O, Abuhaikal M, Pellenq RJean-Marc, Ulm F-J, Van Damme H.  2016.  Evolution of organo-clay composites with respect to thermal maturity in type II organic-rich source rocks. Geochimica et Cosmochimica Acta. 195:68-83.
Bauchy M, Wang B, Wang M, Yu Y, Qomi M J A, Smedskjaer MM, Bichara C, Ulm F-J, Pellenq RJean-Marc.  2016.  Fracture toughness anomalies: Viewpoint of topological constraint theory. Acta Materialia. 121:234-239.
Bauchy M, Laubie H, Qomi M J A, Hoover CG, Ulm F-J, Pellenq RJean-Marc.  2015.  Fracture toughness of calcium–silicate–hydrate from molecular dynamics simulations. Journal of Non-Crystalline Solids. 419:58-64.

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