Roland J.-M. Pellenq

Tingtao Zhou, Katerina Ioannidou, Enrico Masoero, Mohammad Mirzadeh, Roland J.-M. Pellenq, et al.. Capillary Stress and Structural Relaxation in Moist Granular Materials. Langmuir, American Chemical Society, 2019, ⟨10.1021/acs.langmuir.8b03400⟩. ⟨hal-02068337⟩

Tingtao Zhou, Katerina Ioannidou, Franz-Josef Ulm, Martin Bazant, R. J.-M. Pellenq. Multiscale poromechanics of wet cement paste. Proceedings of the National Academy of Sciences of the United States of America , National Academy of Sciences, 2019, 116 (22), pp.10652-10657. ⟨10.1073/pnas.1901160116⟩. ⟨hal-02160283⟩

Amaël Obliger, Franz-Josef Ulm, Roland Pellenq. Impact of Nanoporosity on Hydrocarbon Transport in Shales’ Organic Matter. Nano Letters, American Chemical Society, 2018, 18 (2), pp.832-837. ⟨10.1021/acs.nanolett.7b04079⟩. ⟨hal-01957745⟩

Siavash Monfared, Hadrien Laubie, Farhang Radjai, Mija Hubler, Roland Pellenq, et al.. A methodology to calibrate and to validate effective solid potentials of heterogeneous porous media from computed tomography scans and laboratory-measured nanoindentation data. Acta Geotechnica, Springer Verlag, 2018, 13 (6), pp.1369-1394. ⟨10.1007/s11440-018-0687-9⟩. ⟨hal-01958690⟩

Amaël Obliger, Pierre-Louis Valdenaire, Nicolas Capit, Franz Ulm, Roland J.-M. Pellenq, et al.. Poroelasticity of Methane-Loaded Mature and Immature Kerogen from Molecular Simulations. Langmuir, American Chemical Society, 2018, 34 (45), pp.13766-13780. ⟨10.1021/acs.langmuir.8b02534⟩. ⟨hal-01958679⟩

Alice Dufresne, Jack Arayro, Tingtao Zhou, Katerina Ioannidou, Franz-Josef Ulm, et al.. Atomistic and mesoscale simulation of sodium and potassium adsorption in cement paste. Journal of Chemical Physics, American Institute of Physics, 2018, 149 (7), pp.074705. ⟨10.1063/1.5042755⟩. ⟨hal-01958598⟩

Jack Arayro, Alice Dufresne, Tingtao Zhou, Katerina Ioannidou, Josef-Franz Ulm, et al.. Thermodynamics, kinetics, and mechanics of cesium sorption in cement paste: A multiscale assessment. Physical Review Materials, American Physical Society, 2018, 2 (5), ⟨10.1103/PhysRevMaterials.2.053608⟩. ⟨hal-01957918⟩

Jérémie Berthonneau, Amaël Obliger, Pierre-Louis Valdenaire, Olivier Grauby, Daniel Ferry, et al.. Mesoscale structure, mechanics, and transport properties of source rocks’ organic pore networks. Proceedings of the National Academy of Sciences of the United States of America , National Academy of Sciences, 2018, 115 (49), pp.12365-12370. ⟨10.1073/pnas.1808402115⟩. ⟨hal-02004400⟩

Muhannad Abuhaikal, Katerina Ioannidou, Thomas Petersen, Roland J.-M. Pellenq, Franz-Josef Ulm. Le Châtelier’s conjecture: Measurement of colloidal eigenstresses in chemically reactive materials. Journal of the Mechanics and Physics of Solids, Elsevier, 2018, 112, pp.334-344. ⟨10.1016/j.jmps.2017.12.012⟩. ⟨hal-02068328⟩

Thanh-Trung Vo, Patrick Mutabaruka, Saeid Nezamabadi, Jean-Yves Delenne, Edouard Izard, et al.. Mechanical strength of wet particle agglomerates. Mechanics Research Communications, Elsevier, 2018, 92, pp.1-7. ⟨10.1016/j.mechrescom.2018.07.003⟩. ⟨hal-01863416⟩

Hadrien Laubie, Siavash Monfared, Farhang Radjai, Roland Pellenq, Franz-Josef Ulm. Effective Potentials and Elastic Properties in the Lattice-Element Method: Isotropy and Transverse Isotropy. Journal of Nanomechanics and Micromechanics, American Society of Civil Engineers, 2017, 7 (3), pp.04017007. ⟨10.1061/(ASCE)NM.2153-5477.0000125⟩. ⟨hal-02095033⟩

Siavash Monfared, Hadrien Laubie, Farhang Radjai, Roland Pellenq, Franz-Josef Ulm. Mesoscale Poroelasticity of Heterogeneous Media. Journal of Nanomechanics and Micromechanics, American Society of Civil Engineers, 2017, 7 (4), pp.04017016. ⟨10.1061/(ASCE)NM.2153-5477.0000136⟩. ⟨hal-02095006⟩

Katerina Ioannidou, Emanuela del Gado, Franz-Josef Ulm, Roland J.-M. Pellenq. Inhomogeneity in Cement Hydrates: Linking Local Packing to Local Pressure. Journal of Nanomechanics and Micromechanics, American Society of Civil Engineers, 2017, 7 (2), pp.04017003. ⟨10.1061/(ASCE)NM.2153-5477.0000120⟩. ⟨hal-02068334⟩

Y. Oumellal, Y. Magnin, A. Martínez de Yuso, J.M. Aguiar Hualde, H. Amara, et al.. Magnetism as indirect tool for carbon content assessment in nickel nanoparticles. Journal of Applied Physics, American Institute of Physics, 2017, 122 (21), ⟨10.1063/1.5006138⟩. ⟨hal-01720303⟩

Surendra Kumar Jain, Roland J.-M. Pellenq, Keith Gubbins, Xuan Peng. Molecular Modeling and Adsorption Properties of Ordered Silica-Templated CMK Mesoporous Carbons. Langmuir, American Chemical Society, 2017, 33 (9), pp.2109 - 2121. ⟨10.1021/acs.langmuir.6b04169⟩. ⟨hal-01783437⟩

György Hantal, Laurent Brochard, Roland J.-M. Pellenq, Franz-Joseph Ulm, Benoit Coasne. Role of Interfaces in Elasticity and Failure of Clay–Organic Nanocomposites: Toughening upon Interface Weakening?. Langmuir, American Chemical Society, 2017, 33 (42), pp.11457 - 11466. ⟨10.1021/acs.langmuir.7b01071⟩. ⟨hal-01686205⟩

Philippe Weck, Eunja Kim, Yifeng Wang, Jessica Kruichak, Melissa Mills, et al.. Model representations of kerogen structures: An insight from density functional theory calculations and spectroscopic measurements. Scientific Reports, Nature Publishing Group, 2017, 7 (1), ⟨10.1038/s41598-017-07310-9⟩. ⟨hal-01720437⟩

Jérémie Berthonneau, Christian G. Hoover, O. Grauby, Alain Baronnet, Roland J.-M. Pellenq, et al.. Crystal-chemistry control of the mechanical properties of 2:1 clay minerals. Applied Clay Science, Elsevier, 2017, 143, pp.387 - 398. ⟨10.1016/J.clay.2017.04.010⟩. ⟨hal-01672820⟩

Ratan Mishra, Aslam Kunhi Mohamed, David Geissbühler, Hegoi Manzano, Tariq Jamil, et al.. cemff : A force field database for cementitious materials including validations, applications and opportunities. Cement and Concrete Research, Elsevier, 2017, 102, pp.68 - 89. ⟨10.1016/j.cemconres.2017.09.003⟩. ⟨in2p3-01633100⟩

Sophie Le Caër, Lucile Dezerald, Khaoula Boukari, Maxime Lainé, Sébastien Taupin, et al.. Production of H2 by water radiolysis in cement paste under electron irradiation: A joint experimental and theoretical study. Cement and Concrete Research, Elsevier, 2017, 100, pp.110 - 118. ⟨http://www.sciencedirect.com/science/article/pii/S0008884617302065⟩. ⟨10.1016/j.cemconres.2017.05.022⟩. ⟨cea-01543011⟩

Hadrien Laubie, Farhang Radjai, Roland Pellenq, Franz-Josef Ulm. A potential-of-mean-force approach for fracture mechanics of heterogeneous materials using the lattice element method. Journal of the Mechanics and Physics of Solids, Elsevier, 2017, 105, pp.116 - 130. ⟨10.1016/j.jmps.2017.05.006⟩. ⟨hal-01720479⟩

Hadrien Laubie, Siavash Monfared, Farhang Radjai, Roland Pellenq, Franz-Josef Ulm. Disorder-induced stiffness degradation of highly disordered porous materials. Journal of the Mechanics and Physics of Solids, Elsevier, 2017, 106, pp.207 - 228. ⟨10.1016/j.jmps.2017.05.008⟩. ⟨hal-01720439⟩

Lea Atmani, Christophe Bichara, Roland J.-M. Pellenq, Henri van Damme, Adri van Duin, et al.. From cellulose to kerogen: molecular simulation of a geological process. Chemical Science , The Royal Society of Chemistry, 2017, 8 (12), pp.8325 - 8335. ⟨10.1039/C7SC03466K⟩. ⟨hal-01724050⟩

Katerina Ioannidou, Franz-Josef Ulm, Pierre Levitz, Emanuela del Gado, Roland J.-M. Pellenq. Nano-granular texture of cement hydrates. EPJ Web of Conferences, EDP Sciences, 2017, 140, pp.15027. ⟨10.1051/epjconf/201714015027⟩. ⟨hal-02068350⟩

Katerina Ioannidou, Benoît Carrier, Matthieu Vandamme, Roland Pellenq. The Potential of Mean Force concept for bridging (length and time) scales in the modeling of complex porous materials. EPJ Web of Conferences, EDP Sciences, 2017, 140, pp.01009. ⟨10.1051/epjconf/201714001009⟩. ⟨hal-02068342⟩

Mathieu Bauchy, Mengyi Wang, Yingtian Yu, Bu Wang, N. m. Anoop Krishnan, et al.. Topological Control on the Structural Relaxation of Atomic Networks under Stress. Physical Review Letters, American Physical Society, 2017, 119 (3), ⟨10.1103/PhysRevLett.119.035502⟩. ⟨hal-01782950⟩

Hadrien Laubie, Farhang Radjai, Roland Pellenq, Franz-Josef Ulm. Stress Transmission and Failure in Disordered Porous Media. Physical Review Letters, American Physical Society, 2017, 119 (7), pp.075501. ⟨10.1103/PhysRevLett.119.075501⟩. ⟨hal-01720432⟩

Colin Bousige, Camélia Matei Ghimbeu, Cathie Vix-Guterl, Andrew E. Pomerantz, Assiya Suleimenova, et al.. Realistic molecular model of kerogen’s nanostructure. Nature Materials, Nature Publishing Group, 2016, 15 (5), pp.576 - 582. ⟨10.1038/NMAT4541⟩. ⟨hal-01611970⟩

Colin Bousige, Camelia Matei Ghimbeu, Cathie Vix-Guterl, Andrew E. Pomerantz, Assiya Suleimenova, et al.. Realistic molecular model of kerogen's nanostructure. Nature Materials, Nature Publishing Group, 2016, 15 (5), pp.576+. ⟨10.1038/NMAT4541⟩. ⟨hal-01455009⟩

Mathieu Bauchy, Bu Wang, Mengyi Wang, Yingtian Yu, Mohammad Javad Abdolhosseini Qomi, et al.. Fracture toughness anomalies: Viewpoint of topological constraint theory. Acta Materialia, Elsevier, 2016, 121, pp.234-239. ⟨10.1016/j.actamat.2016.09.004⟩. ⟨hal-01454996⟩

Benoît Carrier, Matthieu Vandamme, Roland J.-M. Pellenq, Michel Bornert, Eric Ferrage, et al.. Effect of Water on Elastic and Creep Properties of Self-Standing Clay Films. Langmuir, American Chemical Society, 2016, 32 (5), pp.1370-1379. ⟨10.1021/acs.langmuir.5b03431⟩. ⟨hal-01975527⟩

Benoît Carrier, Matthieu Vandamme, Roland J.-M. Pellenq, Michel Bornert, Henri van Damme, et al.. Experimental evidence of the contrasting reactivity of external vs. interlayer adsorption sites on swelling clay minerals: The case of Sr 2+ -for-Ca 2+ exchange in vermiculite. Applied Clay Science, Elsevier, 2016, 132-133 (1), pp.205 - 215. ⟨10.1016/j.clay.2016.06.007⟩. ⟨hal-01917631⟩

Amaël Obliger, Roland Pellenq, Franz-Josef Ulm, Benoit Coasne. Free Volume Theory of Hydrocarbon Mixture Transport in Nanoporous Materials. Journal of Physical Chemistry Letters, American Chemical Society, 2016, 7 (19), pp.3712-3717. ⟨10.1021/acs.jpclett.6b01684⟩. ⟨hal-01454993⟩

Katerina Ioannidou, Konrad J. Krakowiak, Mathieu Bauchy, Christian G. Hoover, Enrico Masoero, et al.. Mesoscale texture of cement hydrates. Proceedings of the National Academy of Sciences of the United States of America , National Academy of Sciences, 2016, 113 (8), pp.2029-2034. ⟨10.1073/pnas.1520487113⟩. ⟨hal-01455017⟩

Davoud Ebrahimi, Roland J. -M. Pellenq, Andrew J. Whittle. Mesoscale simulation of clay aggregate formation and mechanical properties. Granular Matter, Springer Verlag, 2016, 18 (3), pp.49. ⟨10.1007/s10035-016-0655-8⟩. ⟨hal-01455004⟩

Jérémie Berthonneau, O. Grauby, Muhannad Abuhaikal, Roland J.-M. Pellenq, Franz J. Ulm, et al.. Evolution of organo-clay composites with respect to thermal maturity in type II organic-rich source rocks. Geochimica et Cosmochimica Acta, Elsevier, 2016, 195, pp.68 - 83. ⟨10.1016/j.gca.2016.09.008⟩. ⟨hal-01672823⟩

Colin Bousige, Alexandru Boţan, Franz-Josef Ulm, Roland J.-M. Pellenq, Benoit Coasne. Optimized molecular reconstruction procedure combining hybrid reverse Monte Carlo and molecular dynamics. Journal of Chemical Physics, American Institute of Physics, 2015, 142 (11), ⟨10.1063/1.4914921⟩. ⟨hal-01611964⟩

Colin Bousige, Alexandru Boan, Franz-Josef Ulm, J.-M Pellenq, Benoît Coasne. Optimized molecular reconstruction procedure combining hybrid reverse Monte Carlo and molecular dynamics. Journal of Chemical Physics, American Institute of Physics, 2015, 142 (11), pp.560-576. ⟨10.1063/1.4914921⟩. ⟨hal-01610751⟩

C. Bousige, A. Botan, F-.J. Ulm, R.J. M. Pellenq, B. Coasne. Optimized molecular reconstruction procedure combining hybrid reverse Monte Carlo and molecular dynamics. Journal of Chemical Physics, American Institute of Physics, 2015, 142 (11), pp.14112-14112. ⟨hal-01142596⟩

Marie-Laure Bocquet, Benoit Coasne, Roland Pellenq, Franz-Joseph Ulm. Organic–Clay Interfacial Chemical Bonds Probed by ab Initio Calculations. Journal of Physical Chemistry C, American Chemical Society, 2015, 119 (12), pp.6511 - 6517. ⟨10.1021/jp510885f⟩. ⟨hal-01896353⟩

Kerstin Falk, Roland Pellenq, Franz Josef Ulm, Benoit Coasne. Effect of Chain Length and Pore Accessibility on Alkane Adsorption in Kerogen. Energy and Fuels, American Chemical Society, 2015, 29 (12), pp.7889-7896. ⟨hal-02015076⟩

Alexandru Boţan, Franz-Josef Ulm, Roland J.-M. Pellenq, Benoit Coasne. Bottom-up model of adsorption and transport in multiscale porous media. Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, American Physical Society, 2015, 91 (3). ⟨hal-02015074⟩

Kerstin Falk, Benoit Coasne, Roland Pellenq, Franz-Josef Ulm, Lydéric Bocquet. Subcontinuum mass transport of condensed hydrocarbons in nanoporous media. Nature Communications, Nature Publishing Group, 2015, 6 (1). ⟨hal-02015075⟩

Laurent Brochard, György Hantal, Hadrien Laubie, Franz-Joseph Ulm, Roland Pellenq. Capturing material toughness by molecular simulation: accounting for large yielding effects and limits. International Journal of Fracture, Springer Verlag, 2015, ⟨10.1007/s10704-015-0045-y⟩. ⟨hal-01274102⟩

M. Bauchy, M.J.A. Qomi, C. Bichara, F.J. Ulm, R.J-M. Pellenq. Rigidity Transition in Materials: Hardness is Driven by Weak Atomic Constraints. Physical Review Letters, American Physical Society, 2015, 114, pp.125502. ⟨hal-01228667⟩

E. del Gado, K. Ioannidou, E. Masoero, A. Baronnet, R.J.-M. Pellenq, et al.. A soft matter in construction – Statistical physics approach to formation and mechanics of C–S–H gels in cement. European Physical Journal - Special Topics, EDP Sciences, 2014, 223 (11), pp.2285-2295. ⟨10.1140/epjst/e2014-02264-1⟩. ⟨hal-02068330⟩

G. Hantal, Laurent Brochard, H. Laubie, E. Ebrahimi, R-J-M. Pellenq, et al.. Atomic-scale modelling of elastic and failure properties of clays. Molecular Physics, Taylor & Francis, 2014, 112 (9-10), pp.1294-1305. ⟨hal-01021110⟩

Kerstyn I. Falk, Roland J.-M. Pellenq, Benoit Coasne. Effect of temperature on adsorption of mixtures in porous materials. Molecular Simulation, Taylor & Francis, 2014, 40 (1-3), pp.4-51. ⟨10.1080/08927022.2013.852192⟩. ⟨hal-00941944⟩

E. Masoero, E. Delgado, R.J.M. Pellenq, S. Yip, F.J. Ulm. Nano-scale mechanics of colloidal C-S-H gels. Soft Matter, Royal Society of Chemistry, 2014, 10 (3), pp.491-499. ⟨hal-00975053⟩

G. Hantal, Laurent Brochard, M.N.D.S. Cordeiro, F.J. Ulm, R.J.M. Pellenq. Surface Chemistry and Atomic-Scale Reconstruction of Kerogen-Silica Composites. Journal of Physical Chemistry C, American Chemical Society, 2014, 118 (5), pp.2429-2438. ⟨hal-00975156⟩

Benoît Carrier, Matthieu Vandamme, Roland J.-M. Pellenq, Henri van Damme. Elastic properties of swelling clay particles at finite temperature upon hydration. Journal of Physical Chemistry C, American Chemical Society, 2014, 118, pp.8933-8943. ⟨10.1021/jp412160e⟩. ⟨hal-01118565⟩

Katerina Ioannidou, Roland J.-M. Pellenq, Emanuela del Gado. Controlling local packing and growth in calcium–silicate–hydrate gels. Soft Matter, Royal Society of Chemistry, 2014, 10 (8), pp.1121-1133. ⟨10.1039/C3SM52232F⟩. ⟨hal-02068332⟩

Pierre Levitz, P.A. Bonnaud, P. A. Cazade, Roland Pellenq, Benoit Coasne. Molecular intermittent dynamics of interfacial water: probing adsorption and bulk confinement. Soft Matter, Royal Society of Chemistry, 2013, 9 (36), pp.8654. ⟨10.1039/c3sm51940f⟩. ⟨hal-01485584⟩

P. Levitz, P. A. Bonnaud, P. A. Cazade, R.J.M. Pellenq, B. Coasne. Molecular intermittent dynamics of interfacial water: probing adsorption and bulk confinement. Soft Matter, Royal Society of Chemistry, 2013, 9 (36), pp.8654-8663. ⟨10.1039/c3sm51940f⟩. ⟨hal-00870195⟩

Alexandru Botan, Romain Vermorel, Franz-Josef Ulm, Roland J.-M. Pellenq. Molecular Simulations of Supercritical Fluid Permeation through Disordered Microporous Carbons. Langmuir, American Chemical Society, 2013, 29 (32), pp.9985-9990. ⟨10.1021/la402087r⟩. ⟨hal-00856240⟩

Benoît Carrier, L. Wang, Matthieu Vandamme, R.J.-M. Pellenq, Michel Bornert, et al.. ESEM study of the humidity-induced swelling of clay film. Langmuir, American Chemical Society, 2013, 29 (41), pp.12823-12833. ⟨10.1021/la402781p⟩. ⟨hal-00946090⟩

Benoit Coasne, Anne Galarneau, Roland J. M. Pellenq, Francesco Di Renzo. Adsorption, intrusion and freezing in porous silica: the view from the nanoscale. Chemical Society Reviews, Royal Society of Chemistry, 2013, 42, pp.4141-4171. ⟨10.1039/c2cs35384a⟩. ⟨hal-00790061⟩

Laurent Brochard, Matthieu Vandamme, Roland Pellenq, Teddy Fen-Chong. Adsorption-induced deformation of microporous materials: coal swelling induced by CO2-CH4 competitive adsorption. Langmuir, American Chemical Society, 2012, 28 (5), pp.2659-2670. ⟨hal-00691799⟩

P. A. Bonnaud, Q. Ji, B. Coasne, R. J.-M. Pellenq, K. J. van Vliet. Thermodynamics of Water Confined in Porous Calcium-Silicate-Hydrates. Langmuir, American Chemical Society, 2012, 28 (31), pp.11422-11432. ⟨10.1021/la301738p⟩. ⟨hal-00746067⟩

Patrick Bonnaud, Benoit Coasne, Roland Pellenq. Solvated calcium ions in charged silica nanopores. Journal of Chemical Physics, American Institute of Physics, 2012, 137 (6), pp.064706. ⟨10.1063/1.4742854⟩. ⟨hal-00746062⟩

C. Bichara, P. Marsal, C. Mottet, R. Pellenq, F. Ribeiro, et al.. Structure and properties of nanoscale materials: theory and atomistic computer simulation. International Journal of Nanotechnology, Inderscience, 2012, 9 (3-7), pp.576-604. ⟨hal-00697530⟩

K. van Vliet, R. Pellenq, M.J. Buehler, J.C. Grossman, H. Jennings, et al.. Set in stone? A perspective on the concrete sustainability challenge. MRS Bulletin, Cambridge University Press (CUP), 2012, 37 (4), pp.395. ⟨hal-00724323⟩

Laurent Brochard, Matthieu Vandamme, Roland Pellenq. Poromechanics of microporous media. Journal of the Mechanics and Physics of Solids, Elsevier, 2012, 60 (4), pp.606-622. ⟨hal-00691798⟩

E. Masoero, E. del Gado, R.J.M. Pellenq, F.J. Ulm, S. Yip. Nanostructure and Nanomechanics of Cement: Polydisperse Colloidal Packing. Physical Review Letters, American Physical Society, 2012, 109 (15), pp.155503. ⟨hal-00773481⟩

A. Jelea, M. Colbert, F. Ribeiro, G. Tréglia, R.J.M. Pellenq. An atomistic modelling of the porosity impact on UO(2) matrix macroscopic properties. Journal of Nuclear Materials, Elsevier, 2011, 415 (2), pp.210-216. ⟨hal-00696841⟩

J.H. Los, C. Bichara, R.-J.-M. Pellenq. Tight binding within the fourth moment approximation: Efficient implementation and application to liquid Ni droplet diffusion on graphene. Physical Review B : Condensed matter and materials physics, American Physical Society, 2011, 84 (8), pp.085455. ⟨hal-00695996⟩

Benoit Coasne, Anne Galarneau, Francesco Di Renzo, Roland Pellenq. Molecular Simulation of Nitrogen Adsorption in Nanoporous Silica. Langmuir, American Chemical Society, 2010, 26 (13), pp.10872-10881. ⟨10.1021/la100757b⟩. ⟨hal-00515102⟩

P. A. Bonnaud, B. Coasne, R. J. M. Pellenq. Molecular simulation of water confined in nanoporous silica. Journal of Physics: Condensed Matter, IOP Publishing, 2010, 22 (28), pp.284110. ⟨10.1088/0953-8984/22/28/284110⟩. ⟨hal-00526002⟩

J.H. Los, R.J.-M. Pellenq. Determination of the bulk melting temperature of nickel using Monte Carlo simulations : inaccuracy of extrapolation from cluster melting temperatures. Physical Review B : Condensed matter and materials physics, American Physical Society, 2010, 81 (6), pp.064112. ⟨hal-00476533⟩

Roland J.-M. Pellenq, Benoit Coasne, Renaud O. Denoyel, Olivier Coussy. Simple Phenomenological Model for Phase Transitions in Confined Geometry. 2. Capillary Condensation/Evaporation in Cylindrical Mesopores. Langmuir, American Chemical Society, 2009, 25 (3), pp.1393-1402. ⟨10.1021/la8020244⟩. ⟨hal-00362362⟩

R.J.-M. Pellenq, B. Coasne, R.O. Denoyel, O. Coussy. Simple phenomenological model for phase transitions in confined geometry.2.Capillary condensation/Evaporation in cylindrical mesopores. Langmuir, American Chemical Society, 2009, 25 (3), pp.1393-1402. ⟨hal-00386928⟩

T. Roussel, C. Bichara, K.E. Gubbins, R.J.M. Pellenq. Hydrogen storage enhanced in Li-doped carbon replica of zeolites : a possible route to achieve fuel cell demand. Journal of Chemical Physics, American Institute of Physics, 2009, 130 (17), pp.174717. ⟨hal-00413543⟩

B. Coasne, A. Galarneau, F. Di Renzo, R.J-M. Pellenq. Intrusion and retraction of fluids in nanopores : effect of morphological heterogeneity. Journal of Physical Chemistry C, American Chemical Society, 2009, 113 (5), pp.1953-1962. ⟨hal-00447708⟩

Benoit Coasne, Anne Galarneau, Francesco Di Renzo, Roland Pellenq. Intrusion and Retraction of Fluids in Nanopores: Effect of Morphological Heterogeneity. Journal of Physical Chemistry C, American Chemical Society, 2009, 113 (5), pp.1953-1962. ⟨10.1021/jp807828a⟩. ⟨hal-00358633⟩

Benoit Coasne, Aude Mezy, R. J. M. Pellenq, D. Ravot, Jean-Claude Tedenac. Zinc Oxide Nanostructures Confined in Porous Silicas. Journal of the American Chemical Society, American Chemical Society, 2009, 131 (6), pp.2185-2198. ⟨10.1021/ja806666n⟩. ⟨hal-00362369⟩

R. Shahsavari, M.J. Buehler, R.J.-M. Pellenq, F.J. Ulm. First-principles study of elastic constants and interlayer interactions of complex hydrated oxides : case study of Tobermorite and Jennite. Journal of the American Ceramic Society, Wiley, 2009, 92 (10), pp.2323-2330. ⟨hal-00447709⟩

R.J.-M. Pellenq, A. Kushima, R. Shahsavari, K.J. van Vliet, M.J. Buehler, et al.. A realistic molecular model of cement hydrates. Proceedings of the National Academy of Sciences of the United States of America , National Academy of Sciences, 2009, 106 (38), pp.16102-16107. ⟨10.1073/pnas.0902180106 ⟩. ⟨hal-00447710⟩

Benoit Coasne, Anne Galarneau, Francesco Di Renzo, Roland Pellenq. Molecular simulation of adsorption and intrusion in nanopores. Adsorption - Journal of the International Adsorption Society, Springer Verlag, 2008, 14, pp.215-221. ⟨10.1007/s10450-008-9104-2⟩. ⟨hal-00277306⟩

B. Coasne, A. Galarneau, F. Di Renzo, R.J-M. Pellenq. Molecular simulation of adsorption and intrusion in nanopores. Adsorption - Journal of the International Adsorption Society, Springer Verlag, 2008, 14 (2-3), pp.215-221. ⟨hal-00475811⟩

R.-J.-M. Pellenq, T. Roussel, J. Puibasset. Molecular simulations of water in hydrophobic microporous solids. Adsorption - Journal of the International Adsorption Society, Springer Verlag, 2008, 14 (4-5), pp.733-742. ⟨hal-00475810⟩

B. Coasne, A. Galarneau, F. Di Renzo, R.J.-M. Pellenq. Molecular simulation of adsorption and intrusion in nanopores. Adsorption - Journal of the International Adsorption Society, Springer Verlag, 2008, 14 (2-3), pp.215-221. ⟨hal-00303811⟩

Benoit Coasne, A. Galarneau, F. Di Renzo, R. J. M. Pellenq. Adsorption of simple fluid on silica surface and nanopore: Effect of surface chemistry and pore shape. Langmuir, American Chemical Society, 2008, 24, pp.7285. ⟨10.1021/la800567g⟩. ⟨hal-00297323⟩

B. Coasne, F. Di Renzo, A. Galarneau, R.J. -M. Pellenq. Adsorption of simple fluid on silica surface and nanopore : effect of surface chemistry and pore shape. Langmuir, American Chemical Society, 2008, 24 (14), pp.7285-7293. ⟨hal-00386926⟩

R.J.-M. Pellenq, F. Marinelli, J.D. Fuhr, F. Fernandez-Alonso, K. Refson. Strong physisorption site for H-2 in K- and Li-doped porous carbons. Journal of Chemical Physics, American Institute of Physics, 2008, 129 (22), pp.224701. ⟨hal-00386927⟩

J. Puibasset, R.J.-M. Pellenq. Grand Canonical Monte Carlo Simulation Study of Water Adsorption in Silicalite at 300 K. Journal of Physical Chemistry C, American Chemical Society, 2008, 112, pp.6390-6397. ⟨hal-00303812⟩

R.J.M. Pellenq, N. Lequeux, H. van Damme. Engineering the bonding scheme in C-S-H: the iono-covalent framework. Cement and Concrete Research, Elsevier, 2008, 38 (2), pp.159-174. ⟨hal-00303810⟩

J. Puibasset, R.J.M. Pellenq. Water confined in two mesoporous silica glasses: influence of temperature ion adsorption/desorption hystersis loop and fluid structure. European Physical Journal - Special Topics, EDP Sciences, 2007, 141, pp.41. ⟨hal-00175324⟩

T. Roussel, A. Didion, R.J.M. Pellenq, R. Gadiou, C. Bichara, et al.. Experimental and atomistic simulation study of the structural and adsorption properties of Faujasite zeolite-templated nanostructured carbon materialst. Journal of Physical Chemistry C, American Chemical Society, 2007, 111, pp.15863. ⟨hal-00386857⟩

F. Renzo, R.J.M. Pellenq. Effect of morphological defects on gas adsorption in nanoporous silicas. Journal of Physical Chemistry C, American Chemical Society, 2007, 111, pp.15759. ⟨hal-00386856⟩

Benoit Coasne, Anne Galarneau, Francesco Di Renzo, Roland J. M. Pellenq. Effect of Morphological Defects on Gas Adsorption in Nanoporous Silicas. Journal of Physical Chemistry C, American Chemical Society, 2007, 111 (43), pp.15759-15770. ⟨10.1021/jp073678a⟩. ⟨hal-00182182⟩

R.J.-M. Pellenq, Nicolas Lequeux, Henri van Damme. Engineering the bonding scheme in C-S-H : The iono-covalent framework. Cement and Concrete Research, Elsevier, 2007, 38, pp.159-174. ⟨10.1016/j.cemconres.2007.09.026⟩. ⟨hal-00265858⟩

T. Roussel, R.J.M. Pellenq, C. Bichara. Structure of narrow-diameter single-wall carbon nanotubes grown in AlPO4-5 zeolite. Physical Review B : Condensed matter and materials physics, American Physical Society, 2007, 76, pp.235418. ⟨hal-00386854⟩

Roland J-M Pellenq. Atomistic Simulation and Theory of Nanoporous Carbons and Nanostructures. Molecular Simulation, Taylor & Francis, 2006, 32 (07), pp.485-486. ⟨10.1080/08927020600885447⟩. ⟨hal-00514998⟩

Benoit Coasne, A. Galarneau, F. Di Renzo, R. J. M. Pellenq. Gas Adsorption in Mesoporous Micelle-Templated Silicas: MCM-41, MCM-48, and SBA-15. Langmuir, American Chemical Society, 2006, 22, pp.11097. ⟨10.1021/la061728h⟩. ⟨hal-00183122⟩

B. Coasne, F.R. Hung, R.J.M. Pellenq, F.R. Siperstein, K.E. Gubbins. Adsorption of sample gases in MCM-41 materials : the role of surface roughness. Langmuir, American Chemical Society, 2006, 22, pp.194. ⟨hal-00023672⟩

Benoit Coasne, Francisco R. Hung, Roland J.-M. Pellenq, Flor R. Siperstein, Keith E. Gubbins. Adsorption of Simple Gases in MCM-41 Materials: The Role of Surface Roughness. Langmuir, American Chemical Society, 2006, 22, pp.194. ⟨10.1021/la051676g⟩. ⟨hal-00186789⟩

L. Duclaux, S. Los, P. Azais, R.J.M. Pellenq, Y. Breton, et al.. Deuterium adsorption in single wall carbon nanotube doped with lithium and potassium: adsorption isotherms and in situ neutron diffraction. Journal of Physics and Chemistry of Solids, Elsevier, 2006, 67, n° 5-6, pp.1122-1126. ⟨hal-00111120⟩

Anne-Line Auzende, Rolland Pellenq, Bertrand Devouard, Alain Baronnet, O. Grauby. Atomistic calculations of structural and elastic properties of serpentine minerals: The case of lizardite. Physics and Chemistry of Minerals, Springer Verlag, 2006, 33 (4), pp.266-275. ⟨10.1007/s00269-006-0078-x⟩. ⟨hal-00177436⟩

Anne-Line Auzende, R. J.-M. Pellenq, Bertrand Devouard, Alain Baronnet, O. Grauby. Atomistic calculations of structural and elastic properties of serpentine minerals: the case of lizardite.. Physics and Chemistry of Minerals, Springer Verlag, 2006, Online First, pp.Online First. ⟨10.1007/s00269-006-0078-x⟩. ⟨hal-00022867⟩

Sk. Jain, J.P. Pikunic, R.J.M. Pellenq, K.E. Gubbins. Effects of activation on the structure and adsorption properties of a nanoporous carbon using molecular simulation. Adsorption - Journal of the International Adsorption Society, Springer Verlag, 2005, 11, pp.355-360. ⟨hal-00015243⟩

T. Roussel, C. Bichara, R.J.M. Pellenq. Selenium and carbon nanostructures in the pores of AlPO4-5. Adsorption - Journal of the International Adsorption Society, Springer Verlag, 2005, 11, pp.709-714. ⟨hal-00015248⟩

O. Maresca, F. Marinelli, R.J.M. Pellenq, L. Duclaux, P. Azais, et al.. Ab initio calculations on hydrogen storage in porous carbons. Annales de Chimie - Science des Matériaux, Lavoisier, 2005, 30, n° 4, pp.385-391. ⟨hal-00015254⟩

R.J.P. Pellenq, H. van Damme. Low dimensionality and confining materials. Annales de Chimie - Science des Matériaux, Lavoisier, 2005, 30, n° 4, pp.327-328. ⟨hal-00015253⟩

Olivier Rozenbaum, R.J.M. Pellenq, Henri van Damme. An experimental and mesoscopic lattice simulation study of styrene-butadiene latex-cement composites properties. Materials and Structures, Springer Verlag, 2005, 38, pp.467-478. ⟨10.1007/BF02482143⟩. ⟨hal-00112580⟩

Benoit Coasne, K. E. Gubbins, R. J. M. Pellenq. Domain theory for capillary condensation hysteresis. Physical Review B : Condensed matter and materials physics, American Physical Society, 2005, 72, pp.024304. ⟨10.1103/PhysRevB.72.024304⟩. ⟨hal-00381741⟩

Dominique Douguet, Roland J.-M. Pellenq, Anne Boutin, Alain Fuchs, David Nicholson. The Adsorption of Argon and Nitrogen in Silicalite-1 Zeolite: A Grand Canonical Monte-Carlo study. Molecular Simulation, Taylor & Francis, 1996, 17 (4-6), pp.255-288. ⟨10.1080/08927029608024112⟩. ⟨hal-02115456⟩

Thanh-Trung Vo, Saeid Nezamabadi, Patrick Mutabaruka, Jean-Yves Delenne, Roland Pellenq, et al.. Micromechanics of the granulation process in wet granular flows. Engineering Mechanics Institute (EMI) Conference 2018 , May 2018, Dartmouth, United States. ⟨hal-01815803⟩

Siavash Monfared, Hadrien Laubie, Farhang Radjai, Roland Pellenq, F.J. Ulm. Discrete Poroelasticity of Heterogeneous Media. POROMECHANICS VI: The Sixth Biot Conference onN Poromechanics, Jul 2017, Paris, France. ⟨hal-01783564⟩

Rafael Jaimes Contreras, Nicolas Berger, Edouard Izard, Jean-François Douce, Alexey Koltsov, et al.. Cohesive strength of iron ore granules. International Conference on Micromechanics of Granular Media (Powders & Grains), Jul 2017, Montpellier, France. ⟨10.1051/epjconf/201714008020⟩. ⟨hal-01594572⟩

Emanuela Del Gado, Katerina Ioannidou, Enrico Masoero, Roland J.-M. Pellenq, Franz-Josef Ulm, et al.. The Meso-Scale Texture of Cement Hydrate Gels: Out-of-Equilibrium Evolution and Thermodynamic Driving. 10th International Conference on Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures, Sep 2015, Vienna, Austria. pp.34-38, ⟨10.1061/9780784479346.005⟩. ⟨hal-02068354⟩

K. Ioannidou, E. Masoero, P. Levitz, R. J.-M. Pellenq, E. Del Gado. Hydration Kinetics and Gel Morphology of C-S-H. 10th International Conference on Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures, Sep 2015, Vienna, Austria. pp.565-573, ⟨10.1061/9780784479346.069⟩. ⟨hal-02068356⟩

B. Carrier, L. Wang, Matthieu Vandamme, R. J.-M. Pellenq, Michel Bornert, et al.. Experimental study of swelling of thin clay films induced by adsorption of water . 6th International Conference on Porous Media, May 2014, Milwaukee, United States. ⟨hal-01140056⟩

Benoît Carrier, L. Wang, Matthieu Vandamme, R. Pellenq, Michel Bornert, et al.. Observation au MEB environnemental des gonflements de films fin d'argile induits par des variations d'humidité relative. 24e Réunion des Sciences de la Terre, Oct 2014, Pau, France. ⟨hal-01137673⟩

György Hantal, Laurent Brochard, Benoit Coasne, Franz-Joseph Ulm, R.J.M. Pellenq. Chemistry of Interfaces Between Inorganic Minerals and Porous Carbons : Implications for the Mechanical Properties of Gas Shale. Annual world conference on Carbon (Carbon 2013), 2013, Rio de Janeiro, Brazil. ⟨hal-01274168⟩

Laurent Brochard, György Hantal, Hadrien Laubie, Franz-Joseph Ulm, R.J.M. Pellenq. Fracture Mechanisms in Organic-Rich Shales: Role of Kerogen. Fifth Biot Conference on Poromechanics, 2013, Vienna, Austria. pp.2471-2480. ⟨hal-01274165⟩

Laurent Brochard, György Hantal, Hadrien Laubie, R.J.M. Pellenq, Franz-Joseph Ulm. Fracture Properties of Kerogen and Importance for Organic-Rich Shales. Annual world conference on Carbon (Carbon 2013), Jul 2013, Rio de Janeiro, Brazil. ⟨hal-01274161⟩

Laurent Brochard, Matthieu Vandamme, R.J.M. Pellenq, Teddy Fen-Chong. Poromechanics of Microporous Carbons: Application to Coal Swelling during Carbon Storage. Annual world conference on Carbon (Carbon 2012), Jun 2012, Krakow, Poland. ⟨hal-01274150⟩

Laurent Brochard, Matthieu Vandamme, Roland Pellenq, Teddy Fen-Chong. Effect of nanopore adsorption on solid mechanics : case of CO2 induced swelling of coal. 3rd International Conference on Porous Media, Interpore, Mar 2011, Bordeaux, France. ⟨hal-00691800⟩

Saeid Nikoosokhan, Laurent Brochard, Matthieu Vandamme, Patrick Dangla, Roland Pellenq, et al.. Carbon dioxide injection in coal beds: from molecular simulations to reservoir simulations. Geoproc 2011, Jul 2011, Perth, Australia. ⟨hal-00691803⟩

Laurent Brochard, Saeid Nikoosokhan, Matthieu Vandamme, Patrick Dangla, Roland Pellenq, et al.. Adsorption and strain: from the molecule to a coal bed reservoir. MPPS 2011, Symposium on Mechanics and Physics of Porous Solids : A tribute to Pr. Olivier Coussy, Apr 2011, Marne-la-Vallée, France. pp.1-1. ⟨hal-00691802⟩

Jean-Marc Leyssale, Gérard Vignoles, Raphael Vitti, Jean-Pierre Da Costa, Christian Germain, et al.. Atomistic reconstruction of pyrocarbons nanostructure from HRTEM data. Carbon 2009, Jun 2009, France. pp.#522. ⟨hal-00391352⟩

Benoit Coasne, Aude. Mezy, R.J.-M. Pellenq, Didier Ravot, Jean-Claude Tedenac. Molecular modeling of the thermodynamical stability of ZnO nanostructures obtained within porous materials. 6th International Conference on Inorganic Materials, Sep 2008, Dresde, Germany. ⟨hal-00339584⟩

L. Duclaux, S. Los, R. Babaa, T. Roussel, R. Pellenq, et al.. Adsorption of hydrogen in doped microporous carbons. Carbon for Energy Storage and Environmental Protection (CESEP), Sep 2007, Cracovie, Poland. ⟨hal-00161442⟩

Aude. Mezy, Benoit Coasne, F. Henn, R.J.M. Pellenq, Didier Ravot, et al.. Nanostructures de ZnO obtenues dans des matériaux nanoporeux : Expérience et simulation moléculaire. 23 ème réunion du groupe français des zéolithes, Mar 2007, La Grande Motte, France. ⟨hal-00278892⟩

Aude. Mezy, Benoit Coasne, Francois Henn, R. J.-M. Pellenq, Didier Ravot, et al.. Thermodynamical stability of ZnO nanostructures obtained with porous materials : Experiment and molecular simulation. JEEP XXXIII: journées d'étude des équilibres entre phases, Mar 2007, Lyon, France. ⟨hal-00278894⟩

T. Roussel, Fabrice Gaslain, R. Pellenq, Julien Parmentier, C. Bichara. Réplique carbonée de la zéolithe EMT : Expériences et Simulations. 22ème Réunion du Groupe Français des Zéolithes (GFZ), Mar 2006, La Rochelle, France. ⟨hal-00268913⟩

Julien Parmentier, Fabrice Gaslain, Valentin Valtchev, Joël Patarin, L. Solovyov, et al.. Caractérisations structurales de la réplique carbonée de la zéolithe EMC-2 : comparaison entre expériences et simulations. Journées scientifiques du Groupe Français d'Etude des Carbones, (GFEC), Apr 2006, Presqu'îles de Giens, France. ⟨hal-00268830⟩

R..J.-M. Pellenq, Benoit Coasne, R.O. Denoyel, J. Puibasset. Effect of pore morphology and topology on capillary condensation in nanopores: a theoretical and molecular simulation study. Characterization of Porous Solids VII, 2005, France. pp.1, ⟨10.1016/S0167-2991(07)80002-4⟩. ⟨hal-00183306⟩

Benoit Coasne, K. E. Gubbins, R. J. M. Pellenq. Temperature effect on adsorption/desorption isotherms for a simple fluid confined within various nanopores. Fundamentals of Adsorption 8, 2004, United States. pp.289, ⟨10.1007/s10450-005-5939-y⟩. ⟨hal-00381706⟩

Benoît Carrier, Roland J-M Pellenq, Matthieu Vandamme, H. Van Damme. Cohesion between two clay lamellae: from primitive model to full molecular simulation. France. 2013. ⟨hal-00948677⟩

Benoît Carrier, Davoud Ebrahim, Matthieu Vandamme, J. Whittle, Roland Pellenq, et al.. Molecular simulation of the role of interlayer water on the mechanical properties of montmorillonite. France. 2013. ⟨hal-00948688⟩

Laurent Brochard, Matthieu Vandamme, R.J.M. Pellenq, Teddy Fen-Chong. Adsorption behavior in disordered nanoporous solids. Mechanics and Physics of Porous Solids - mpps 2011, France. 2011. ⟨hal-00702677⟩

K Ioannidou,, E Masoero,, P Levitz,, J.-M. Pellenq, R., E Del Gado,. Hydration Kinetics and Gel Morphology of C-S-H. CONCREEP 10, American Society of Civil Engineers, pp.565-573, 2015, 10th International Conference on Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures (CONCREEP), Vienna, AUSTRIA, SEP 21-23, 2015, 978-0-7844-7934-6. ⟨10.1061/9780784479346.069⟩. ⟨http://ascelibrary.org/doi/10.1061/9780784479346.069⟩. ⟨hal-01489161⟩

Saeid Nikoosokahn, Laurent Brochard, Patrick Dangla, Matthieu Vandamme, R.J.M. Pellenq, et al.. CO2 Storage in Coal Seams: Coupling Surface Adsorption and Strain. Geomechanics in CO2 Storage Facilities, 2012, 9781118577455. ⟨hal-01274159⟩