Roland Pellenq

Publications

Article dans une revue (141)

Ice formation in the cement paste: a coarse-grained model of precipitation-induced damage in a porous matrix at the mesoscale Katerina Ioannidou,Roland J-M Pellenq Journal of Physics: Materials, 2026, 9 (1), pp.015017. ⟨10.1088/2515-7639/ae35a8⟩ Article dans une revue hal-05544329v1
Ion docking drives HER carbon-based electrocatalyst performance Javier Quílez-Bermejo,Romain Dupuis,Rafael Canevesi,Katerina Ioannidou,Alain Celzardet al. Carbon, 2025, 241, pp.120383. ⟨10.1016/j.carbon.2025.120383⟩ Article dans une revue hal-05220983v1
Nano-carbon black (nCB)-dispersed cement composites: A macro-to-nano investigation revealing trade-offs between electrical conductivity and mechanical strength Nancy Soliman,Katerina Ioannidou,Thibaut Divoux,Renal Backov,M. Omranet al. Construction and Building Materials, 2025, 489, pp.142246. ⟨10.1016/j.conbuildmat.2025.142246⟩ Article dans une revue hal-05132861v1
Pore-Scale Textural Changes upon Ion Adsorption in Voltage-Polarized Nanoporous Carbon Electrodes Romain Dupuis,Katerina Ioannidou,Roland J.-M. Pellenq PRX Energy, 2025, 4 (2), pp.023001. ⟨10.1103/prxenergy.4.023001⟩ Article dans une revue hal-05368239v1
Molecular mechanisms of CO&lt;sub&gt;2&lt;/sub&gt; mineralization on wetting nanoscale surfaces using molecular simulations and metadynamics Xinping Zhu,Yong Tao,Romain Dupuis,Yining Gao,Chi-Sun Poonet al. Nature Communications, 2025, 16, pp.10758. ⟨10.1038/s41467-025-65794-w⟩ Article dans une revue hal-05545145v1
Insight into the effect of electrolyte ions docked in subnanopores of metal-free carbon cathode on the ORR activity Marc Florent,Romain Dupuis,Katerina Ioannidou,Roland J.M. Pellenq,Teresa J Bandosz Carbon, 2025, 239, pp.120324. ⟨10.1016/j.carbon.2025.120324⟩ Article dans une revue hal-05368265v1
C-S-H decalcification in seawater: The view from the nanoscale Yong Tao,Yining Gao,Yanjie Sun,Roland J.-M. Pellenq,Chi Sun Poon Cement and Concrete Research, 2024, 175, pp.107385. ⟨10.1016/j.cemconres.2023.107385⟩ Article dans une revue hal-05227914v1
Pressure and temperature diagram of C&lt;sub&gt;60&lt;/sub&gt; from atomistic simulations Karim Hakim,Romain Dupuis,Christophe Bichara,R.-J.-M. Pellenq The Journal of Chemical Physics, 2024, 161 (9), ⟨10.1063/5.0213022⟩ Article dans une revue hal-04735903v1
Impact of MgCl&lt;sub&gt;2&lt;/sub&gt; on the mechanical properties of alite pastes at mesoscale and nanoscale Yanjie Sun,Yong Tao,Roland J.-M. Pellenq,Chi Sun Poon Journal of the American Ceramic Society, 2024, 107 (8), pp.5326-5337. ⟨10.1111/jace.19810⟩ Article dans une revue hal-05224732v1
Collective molecular-scale carbonation path in aqueous solutions with sufficient structural sampling: From CO2 to CaCO3 Xinping Zhu,Romain Dupuis,Roland J.-M. Pellenq,Katerina Ioannidou The Journal of Chemical Physics, 2024, 161 (18), pp.184502. ⟨10.1063/5.0228805⟩ Article dans une revue hal-04866277v1
Staggered structural dynamic-mediated selective adsorption of H2O/D2O on flexible graphene oxide nanosheets Ryusuke Futamura,Taku Iiyama,Takahiro Ueda,Patrick A Bonnaud,François-Xavier Coudertet al. Nature Communications, 2024, 15 (1), pp.3585. ⟨10.1038/s41467-024-47838-9⟩ Article dans une revue hal-04561878v1
Optimal CO2 intake in metastable water film in mesoporous materials Gen Li,Yong Tao,Xinping Zhu,Yining Gao,Peiliang Shenet al. Nature Communications, 2024, 15 (1), pp.10790. ⟨10.1038/s41467-024-55125-w⟩ Article dans une revue hal-04866242v1
Replica-Exchange Molecular Dynamics Simulation of the Natural Evolution of a Model Type I Kerogen Jean-Marc Leyssale,Pierre-Louis Valdenaire,Kevin Potier,Roland J.-M. Pellenq Energy & Fuels, 2023, 37 (19), pp.14811-14823. ⟨10.1021/acs.energyfuels.3c02055⟩ Article dans une revue hal-04249528v1
Potential of Mean Force for Face–Face Interactions between Pairs of 2:1 Clay Mineral Platelets Hejian Zhu,Andrew J Whittle,Roland JM Pellenq Langmuir, 2022, 38 (43), pp.13065 - 13074. ⟨10.1021/acs.langmuir.2c01632⟩ Article dans une revue hal-03920200v1
Binary CoOx–SiO&lt;sub&gt;2&lt;/sub&gt; Porous Nanostructures for Catalytic CO Oxidation Isabelle Ly,Antoine Vardon,Nicolas Chanut,Frédéric Nallet,Roland Pellenqet al. ACS Applied Nano Materials, 2022, 5 (5), pp.7331-7343. ⟨10.1021/acsanm.2c01258⟩ Article dans une revue hal-03920223v2
Condensation and growth of amorphous aluminosilicate nanoparticles via an aggregation process Romain Dupuis,Seung Ho Hahn,Adri van Duin,Roland J.M. Pellenq,Arnaud Poulesquen Physical Chemistry Chemical Physics, 2022, 24 (16), pp.9229 - 9235. ⟨10.1039/d1cp05412k⟩ Article dans une revue hal-03920322v1
How chemical defects influence the charging of nanoporous carbon supercapacitors Romain Dupuis,Pierre-Louis Valdenaire,Roland Pellenq,Katerina Ioannidou Proceedings of the National Academy of Sciences of the United States of America, 2022, 119 (17), pp.121945119. ⟨10.1073/pnas.2121945119⟩ Article dans une revue hal-03920236v2
Alkali silica reaction: a view from the nanoscale Romain Dupuis,Roland J.-M. Pellenq Cement and Concrete Research, 2022, 152, pp.106652. ⟨10.1016/j.cemconres.2021.106652⟩ Article dans une revue hal-03920284v1
Ion Specificity of Confined Ion–Water Structuring and Nanoscale Surface Forces in Clays Francis Dragulet,Abhay Goyal,Katerina Ioannidou,Roland J.-M. Pellenq,Emanuela del Gado Journal of Physical Chemistry B, 2022, 126 (26), pp.4977 - 4989. ⟨10.1021/acs.jpcb.2c01738⟩ Article dans une revue hal-03920265v2
Replica Exchange Molecular Dynamics Simulation of Organic Matter Evolution: From Lignin to Overmature Type III Kerogen Jean-Marc Leyssale,Pierre-Louis Valdenaire,Kévin Potier,Roland JM Pellenq Energy & Fuels, 2022, 36 (24), pp.14723 - 14733. ⟨10.1021/acs.energyfuels.2c02963⟩ Article dans une revue hal-03920193v1
Atomic-scale mechanism of carbon nucleation from a deep crustal fluid by replica exchange reactive molecular dynamics simulations Jean-Marc Leyssale,Matthieu Galvez,Pierre-Louis Valdenaire,Roland Pellenq,Adri C T van Duin Geochimica et Cosmochimica Acta, 2022, 329, ⟨10.1016/j.gca.2022.04.024⟩ Article dans une revue hal-03832941v1
Design of binary Nb2O5–SiO2 self-standing monoliths bearing hierarchical porosity and their efficient Friedel–Crafts alkylation/acylation catalytic properties Isabelle Ly,Elodie Layan,Emmanuel Picheau,Nicolas Chanut,Frédéric Nalletet al. ACS Applied Materials & Interfaces, 2022, 14 (11), pp.13305-13316. ⟨10.1021/acsami.1c24554⟩ Article dans une revue hal-03616895v1
Phase diagram of brittle fracture in the semi-grand-canonical ensemble T. Mulla,S. Moeini,Katerina Ioannidou,Roland J.-M. Pellenq,F.-J. Ulm Physical Review E , 2021, 103 (1), ⟨10.1103/PhysRevE.103.013003⟩ Article dans une revue hal-03110162v1
The physics of cement cohesion Abhay Goyal,Ivan Palaia,Katerina Ioannidou,Franz-Josef Ulm,Henri van Dammeet al. Science Advances , 2021, 7 (32), pp.eabg5882. ⟨10.1126/sciadv.abg5882⟩ Article dans une revue hal-03330052v1
Heterogeneous Surface Growth and Gelation of Cement Hydrates Abhay Goyal,Katerina Ioannidou,Christopher Tiede,Pierre Levitz,Roland J.-M. Pellenqet al. Journal of Physical Chemistry C, 2020, 124 (28), pp.15500-15510. ⟨10.1021/acs.jpcc.0c02944⟩ Article dans une revue hal-02902372v1
13C NMR Parameters of Disordered Carbons: Atomistic Simulations, DFT Calculations, and Experimental Results Alan Ambrozio,Jean-Marc Leyssale,Roland J-M Pellenq,Fabio Al de Souza,Gérard L. Vignoleset al. Journal of Physical Chemistry C, 2020, 124 (23), pp.12784-12793. ⟨10.1021/acs.jpcc.0c02921⟩ Article dans une revue hal-03018518v1
Morphology control of metallic nanoparticles supported on carbon substrates in catalytic conditions Yann Magnin,Emmanuel Villermaux,Hakim Amara,Christophe Bichara,Roland J. M. Pellenq Carbon, 2020, 159, pp.504-511. ⟨10.1016/j.carbon.2019.12.025⟩ Article dans une revue hal-02426040v1
Timescale prediction of complex multi-barrier pathways using flux sampling molecular dynamics and 1D kinetic integration: Application to cellulose dehydration Pierre-Louis Valdenaire,R.J.M. Pellenq,Franz Joseph Ulm,Adri C.T. van Duin,Jean-Marc Leyssale The Journal of Chemical Physics, 2020, 152 (2), pp.024123. ⟨10.1063/1.5126391⟩ Article dans une revue hal-03018519v1
Simulating the Geological Fate of Terrestrial Organic Matter: Lignin vs Cellulose Lea Atmani,Pierre-Louis Valdenaire,Roland J.-M. Pellenq,Christophe Bichara,Henri van Dammeet al. Energy & Fuels, 2020, 34 (2), pp.1537-1547. ⟨10.1021/acs.energyfuels.9b03681⟩ Article dans une revue hal-02491070v1
Dissociation mechanisms of dissolved alkali silicates in sodium hydroxide Romain Dupuis,Roland J.-M. Pellenq,Jean-Baptiste Champenois,Arnaud Poulesquen Journal of Physical Chemistry C, 2020, 124 (15), pp.8288-8294. ⟨10.1021/acs.jpcc.0c01495⟩ Article dans une revue cea-03331870v1
Hydrocarbon Diffusion in Mesoporous Carbon Materials: Implications for Unconventional Gas Recovery Yann Magnin,Jérémie Berthonneau,Nicolas Chanut,Daniel Ferry,O. Graubyet al. ACS Applied Nano Materials, 2020, 3 (8), pp.7604-7610. ⟨10.1021/acsanm.0c01191⟩ Article dans une revue hal-02932903v1
Time resolved alkali silicate decondensation by sodium hydroxide solution Romain Dupuis,Donatien Gomes Rodrigues,Jean-Baptiste Champenois,Roland Pellenq,Arnaud Poulesquen Journal of Physics: Materials, 2020, 3 (1), pp.014012. ⟨10.1088/2515-7639/ab5ce9⟩ Article dans une revue hal-02429563v1
Effect of Confinement on Capillary Phase Transition in Granular Aggregates Siavash Monfared,Tingtao Zhou,José Andrade,Katerina Ioannidou,Farhang Radjaiet al. Physical Review Letters, 2020, 125 (25), pp.255501. ⟨10.1103/PhysRevLett.125.255501⟩ Article dans une revue hal-03100486v1
Urban heat island impact on state residential energy cost and CO2 emissions in the United States J. Roxon,F.-J. Ulm,R.J.-M. Pellenq Urban Climate, 2020, 31, pp.100546. ⟨10.1016/j.uclim.2019.100546⟩ Article dans une revue hal-03100505v1
Molecular simulation of silica gels: Formation, dilution, and drying Romain Dupuis,Laurent Karim Beland,Roland J.-M. Pellenq Physical Review Materials, 2019, 3 (7), ⟨10.1103/PhysRevMaterials.3.075603⟩ Article dans une revue hal-02291526v1
Multiscale poromechanics of wet cement paste Tingtao Zhou,Katerina Ioannidou,Franz-Josef Ulm,Martin Bazant,R. J.-M. Pellenq Proceedings of the National Academy of Sciences of the United States of America, 2019, 116 (22), pp.10652-10657. ⟨10.1073/pnas.1901160116⟩ Article dans une revue hal-02160283v1
Methane Diffusion in a Flexible Kerogen Matrix Amaël Obliger,Pierre-Louis Valdenaire,Franz-Josef Ulm,Roland J.-M. Pellenq,Jean-Marc Leyssale Journal of Physical Chemistry B, 2019, 123 (26), pp.5635-5640. ⟨10.1021/acs.jpcb.9b03266⟩ Article dans une revue hal-02372074v1
Agglomeration of wet particles in dense granular flows Thanh Trung Vo,Saeid Nezamabadi,Patrick Mutabaruka,Jean-Yves Delenne,Edouard Izardet al. European Physical Journal E: Soft matter and biological physics, 2019, 42 (9), pp.127. ⟨10.1140/epje/i2019-11892-9⟩ Article dans une revue hal-02414880v1
Effects of size polydispersity on random close-packed configurations of spherical particles Patrick Mutabaruka,Mahdi Taiebat,Roland J.-M. Pellenq,Farhang Radjai Physical Review E , 2019, 100 (4), ⟨10.1103/PhysRevE.100.042906⟩ Article dans une revue hal-02414874v1
Capillary Stress and Structural Relaxation in Moist Granular Materials Tingtao Zhou,Katerina Ioannidou,Enrico Masoero,Mohammad Mirzadeh,Roland J.-M. Pellenqet al. Langmuir, 2019, ⟨10.1021/acs.langmuir.8b03400⟩ Article dans une revue hal-02068337v1
Mesoscale simulation of aggregation of imogolite nanotubes from potential of mean force interactions Hejian Zhu,Andrew Whittle,Roland J.-M. Pellenq,Katerina Ioannidou Molecular Physics, 2019, 117 (22), pp.3445-3455. ⟨10.1080/00268976.2019.1660817⟩ Article dans une revue hal-02301591v1
Poroelasticity of Methane-Loaded Mature and Immature Kerogen from Molecular Simulations Amaël Obliger,Pierre-Louis Valdenaire,Nicolas Capit,Franz Ulm,Roland J.-M. Pellenqet al. Langmuir, 2018, 34 (45), pp.13766-13780. ⟨10.1021/acs.langmuir.8b02534⟩ Article dans une revue hal-01958679v1
Mechanical strength of wet particle agglomerates Thanh-Trung Vo,Patrick Mutabaruka,Saeid Nezamabadi,Jean-Yves Delenne,Edouard Izardet al. Mechanics Research Communications, 2018, 92, pp.1-7. ⟨10.1016/j.mechrescom.2018.07.003⟩ Article dans une revue hal-01863416v1
Mesoscale structure, mechanics, and transport properties of source rocks’ organic pore networks Jérémie Berthonneau,Amaël Obliger,Pierre-Louis Valdenaire,Olivier Grauby,Daniel Ferryet al. Proceedings of the National Academy of Sciences of the United States of America, 2018, 115 (49), pp.12365-12370. ⟨10.1073/pnas.1808402115⟩ Article dans une revue hal-02004400v1
Impact of Nanoporosity on Hydrocarbon Transport in Shales’ Organic Matter Amaël Obliger,Franz-Josef Ulm,Roland Pellenq Nano Letters, 2018, 18 (2), pp.832-837. ⟨10.1021/acs.nanolett.7b04079⟩ Article dans une revue hal-03893044v1
Atomistic and mesoscale simulation of sodium and potassium adsorption in cement paste Alice Dufresne,Jack Arayro,Tingtao Zhou,Katerina Ioannidou,Franz-Josef Ulmet al. The Journal of Chemical Physics, 2018, 149 (7), pp.074705. ⟨10.1063/1.5042755⟩ Article dans une revue hal-01958598v1
A methodology to calibrate and to validate effective solid potentials of heterogeneous porous media from computed tomography scans and laboratory-measured nanoindentation data Siavash Monfared,Hadrien Laubie,Farhang Radjai,Mija Hubler,Roland Pellenqet al. Acta Geotechnica, 2018, 13 (6), pp.1369-1394. ⟨10.1007/s11440-018-0687-9⟩ Article dans une revue hal-01958690v1
Impact of Nanoporosity on Hydrocarbon Transport in Shales’ Organic Matter Amaël Obliger,Franz-Josef Ulm,Roland Pellenq Nano Letters, 2018, 18 (2), pp.832-837. ⟨10.1021/acs.nanolett.7b04079⟩ Article dans une revue hal-01957745v1
Le Châtelier’s conjecture: Measurement of colloidal eigenstresses in chemically reactive materials Muhannad Abuhaikal,Katerina Ioannidou,Thomas Petersen,Roland J.-M. Pellenq,Franz-Josef Ulm Journal of the Mechanics and Physics of Solids, 2018, 112, pp.334-344. ⟨10.1016/j.jmps.2017.12.012⟩ Article dans une revue hal-02068328v1
Thermodynamics, kinetics, and mechanics of cesium sorption in cement paste: A multiscale assessment Jack Arayro,Alice Dufresne,Tingtao Zhou,Katerina Ioannidou,Josef-Franz Ulmet al. Physical Review Materials, 2018, 2 (5), ⟨10.1103/PhysRevMaterials.2.053608⟩ Article dans une revue hal-01957918v1
Crystal-chemistry control of the mechanical properties of 2:1 clay minerals Jérémie Berthonneau,Christian G. Hoover,O. Grauby,Alain Baronnet,Roland J.-M. Pellenqet al. Applied Clay Science, 2017, 143, pp.387 - 398. ⟨10.1016/J.clay.2017.04.010⟩ Article dans une revue hal-01672820v1
Stress Transmission and Failure in Disordered Porous Media Hadrien Laubie,Farhang Radjai,Roland Pellenq,Franz-Josef Ulm Physical Review Letters, 2017, 119 (7), pp.075501. ⟨10.1103/PhysRevLett.119.075501⟩ Article dans une revue hal-01720432v1
A potential-of-mean-force approach for fracture mechanics of heterogeneous materials using the lattice element method Hadrien Laubie,Farhang Radjai,Roland Pellenq,Franz-Josef Ulm Journal of the Mechanics and Physics of Solids, 2017, 105, pp.116 - 130. ⟨10.1016/j.jmps.2017.05.006⟩ Article dans une revue hal-01720479v1
The Potential of Mean Force concept for bridging (length and time) scales in the modeling of complex porous materials Katerina Ioannidou,Benoît Carrier,Matthieu Vandamme,Roland J. M. Pellenq EPJ Web of Conferences, 2017, 140, pp.01009. ⟨10.1051/epjconf/201714001009⟩ Article dans une revue hal-02068342v1
Model representations of kerogen structures: An insight from density functional theory calculations and spectroscopic measurements Philippe Weck,Eunja Kim,Yifeng Wang,Jessica Kruichak,Melissa Millset al. Scientific Reports, 2017, 7 (1), ⟨10.1038/s41598-017-07310-9⟩ Article dans une revue hal-01720437v1
From cellulose to kerogen: molecular simulation of a geological process Lea Atmani,Christophe Bichara,Roland J.-M. Pellenq,Henri van Damme,Adri van Duinet al. Chemical Science, 2017, 8 (12), pp.8325 - 8335. ⟨10.1039/C7SC03466K⟩ Article dans une revue hal-01724050v1
Magnetism as indirect tool for carbon content assessment in nickel nanoparticles Y. Oumellal,Y. Magnin,A. Martínez de Yuso,J. Aguiar Hualde,H. Amaraet al. Journal of Applied Physics, 2017, 122 (21), pp.213902. ⟨10.1063/1.5006138⟩ Article dans une revue hal-02465035v1
Production of H2 by water radiolysis in cement paste under electron irradiation: A joint experimental and theoretical study Sophie A Le Caër,Lucile Dezerald,Khaoula A Boukari,Maxime A Lainé,Sébastien A Taupinet al. Cement and Concrete Research, 2017, 100, pp.110 - 118. ⟨10.1016/j.cemconres.2017.05.022⟩ Article dans une revue cea-01543011v1
Mesoscale Poroelasticity of Heterogeneous Media Siavash Monfared,Hadrien Laubie,Farhang Radjai,Roland J. M. Pellenq,Franz-Josef Ulm Journal of Nanomechanics and Micromechanics, 2017, 7 (4), pp.04017016. ⟨10.1061/(ASCE)NM.2153-5477.0000136⟩ Article dans une revue hal-02095006v1
Nano-granular texture of cement hydrates Katerina Ioannidou,Franz-Josef Ulm,Pierre Levitz,Emanuela del Gado,Roland J.-M. Pellenq EPJ Web of Conferences, 2017, 140, pp.15027. ⟨10.1051/epjconf/201714015027⟩ Article dans une revue hal-02068350v1
Molecular Modeling and Adsorption Properties of Ordered Silica-Templated CMK Mesoporous Carbons Surendra Kumar Jain,Roland J.-M. Pellenq,Keith Gubbins,Xuan Peng Langmuir, 2017, 33 (9), pp.2109 - 2121. ⟨10.1021/acs.langmuir.6b04169⟩ Article dans une revue hal-01783437v1
cemff : A force field database for cementitious materials including validations, applications and opportunities Ratan Mishra,Aslam Kunhi Mohamed,David Geissbühler,Hegoi Manzano,Tariq Jamilet al. Cement and Concrete Research, 2017, 102, pp.68 - 89. ⟨10.1016/j.cemconres.2017.09.003⟩ Article dans une revue in2p3-01633100v1
Inhomogeneity in Cement Hydrates: Linking Local Packing to Local Pressure Katerina Ioannidou,Emanuela del Gado,Franz-Josef Ulm,Roland J.-M. Pellenq Journal of Nanomechanics and Micromechanics, 2017, 7 (2), pp.04017003. ⟨10.1061/(ASCE)NM.2153-5477.0000120⟩ Article dans une revue hal-02068334v1
Role of Interfaces in Elasticity and Failure of Clay–Organic Nanocomposites: Toughening upon Interface Weakening? György Hantal,Laurent Brochard,Roland J.-M. Pellenq,Franz-Joseph Ulm,Benoit Coasne Langmuir, 2017, 33 (42), pp.11457 - 11466. ⟨10.1021/acs.langmuir.7b01071⟩ Article dans une revue hal-01686205v1
Effective Potentials and Elastic Properties in the Lattice-Element Method: Isotropy and Transverse Isotropy Hadrien Laubie,Siavash Monfared,Farhang Radjai,Roland J. M. Pellenq,Franz-Josef Ulm Journal of Nanomechanics and Micromechanics, 2017, 7 (3), pp.04017007. ⟨10.1061/(ASCE)NM.2153-5477.0000125⟩ Article dans une revue hal-02095033v1
Topological Control on the Structural Relaxation of Atomic Networks under Stress Mathieu Bauchy,Mengyi Wang,Yingtian Yu,Bu Wang,N. m. Anoop Krishnanet al. Physical Review Letters, 2017, 119 (3), ⟨10.1103/PhysRevLett.119.035502⟩ Article dans une revue hal-01782950v1
Disorder-induced stiffness degradation of highly disordered porous materials Hadrien Laubie,Siavash Monfared,Farhang Radjai,Roland Pellenq,Franz-Josef Ulm Journal of the Mechanics and Physics of Solids, 2017, 106, pp.207 - 228. ⟨10.1016/j.jmps.2017.05.008⟩ Article dans une revue hal-01720439v1
Realistic molecular model of kerogen's nanostructure Colin Bousige,Camelia Matei Ghimbeu,Cathie Vix-Guterl,Andrew E. Pomerantz,Assiya Suleimenovaet al. Nature Materials, 2016, 15 (5), pp.576+. ⟨10.1038/nmat4541⟩ Article dans une revue hal-01455009v1
Free Volume Theory of Hydrocarbon Mixture Transport in Nanoporous Materials Amaël Obliger,Roland J.-M. Pellenq,Franz-Josef Ulm,Benoit Coasne Journal of Physical Chemistry Letters, 2016, 7 (19), pp.3712-3717. ⟨10.1021/acs.jpclett.6b01684⟩ Article dans une revue hal-01454993v1
Effect of Water on Elastic and Creep Properties of Self-Standing Clay Films Benoît Carrier,Matthieu Vandamme,Roland J.-M. Pellenq,Michel Bornert,Eric Ferrageet al. Langmuir, 2016, 32 (5), pp.1370-1379. ⟨10.1021/acs.langmuir.5b03431⟩ Article dans une revue hal-01975527v1
Free Volume Theory of Hydrocarbon Mixture Transport in Nanoporous Materials Amaël Obliger,Roland Pellenq,Franz-Josef Ulm,Benoit Coasne Journal of Physical Chemistry Letters, 2016, 7 (19), pp.3712-3717. ⟨10.1021/acs.jpclett.6b01684⟩ Article dans une revue hal-03893048v1
Mesoscale simulation of clay aggregate formation and mechanical properties Davoud Ebrahimi,Roland J. -M. Pellenq,Andrew J. Whittle Granular Matter, 2016, 18 (3), pp.49. ⟨10.1007/s10035-016-0655-8⟩ Article dans une revue hal-01455004v1
Mesoscale texture of cement hydrates Katerina Ioannidou,Konrad J. Krakowiak,Mathieu Bauchy,Christian G. Hoover,Enrico Masoeroet al. Proceedings of the National Academy of Sciences of the United States of America, 2016, 113 (8), pp.2029-2034. ⟨10.1073/pnas.1520487113⟩ Article dans une revue hal-01455017v1
Evolution of organo-clay composites with respect to thermal maturity in type II organic-rich source rocks Jérémie Berthonneau,O. Grauby,Muhannad Abuhaikal,Roland J.-M. Pellenq,Franz J. Ulmet al. Geochimica et Cosmochimica Acta, 2016, 195, pp.68 - 83. ⟨10.1016/j.gca.2016.09.008⟩ Article dans une revue hal-01672823v1
Fracture toughness anomalies: Viewpoint of topological constraint theory Mathieu Bauchy,Bu Wang,Mengyi Wang,Yingtian Yu,Mohammad Javad Abdolhosseini Qomiet al. Acta Materialia, 2016, 121, pp.234-239. ⟨10.1016/j.actamat.2016.09.004⟩ Article dans une revue hal-01454996v1
Effect of Chain Length and Pore Accessibility on Alkane Adsorption in Kerogen Kerstin Falk,Roland Pellenq,Franz Josef Ulm,Benoit Coasne Energy & Fuels, 2015, 29 (12), pp.7889-7896. ⟨10.1021/acs.energyfuels.5b02015⟩ Article dans une revue hal-02015076v1
Optimized molecular reconstruction procedure combining hybrid reverse Monte Carlo and molecular dynamics Colin Bousige,Alexandru Boan,Franz-Josef Ulm,J.-M Pellenq,Benoit Coasne The Journal of Chemical Physics, 2015, 142 (11), pp.560-576. ⟨10.1063/1.4914921⟩ Article dans une revue hal-01610751v1
Subcontinuum mass transport of condensed hydrocarbons in nanoporous media Kerstin Falk,Benoit Coasne,Roland Pellenq,Franz-Josef Ulm,Lydéric Bocquet Nature Communications, 2015, 6 (1), ⟨10.1038/ncomms7949⟩ Article dans une revue hal-02015075v1
Rigidity Transition in Materials: Hardness is Driven by Weak Atomic Constraints M. Bauchy,M.J.A. Qomi,C. Bichara,F.J. Ulm,R.J-M. Pellenq Physical Review Letters, 2015, 114, pp.125502 Article dans une revue hal-01228667v1
Capturing material toughness by molecular simulation: accounting for large yielding effects and limits Laurent Brochard,György Hantal,Hadrien Laubie,Franz-Joseph Ulm,Roland Pellenq International Journal of Fracture, 2015, ⟨10.1007/s10704-015-0045-y⟩ Article dans une revue hal-01274102v1
Bottom-up model of adsorption and transport in multiscale porous media Alexandru Boţan,Franz-Josef Ulm,Roland J.-M. Pellenq,Benoit Coasne Physical Review E : Statistical, Nonlinear, and Soft Matter Physics [2001-2015], 2015, 91 (3), ⟨10.1103/PhysRevE.91.032133⟩ Article dans une revue hal-02015074v1
Organic–Clay Interfacial Chemical Bonds Probed by ab Initio Calculations Marie-Laure Bocquet,Benoit Coasne,Roland J. M. Pellenq,Franz-Joseph Ulm Journal of Physical Chemistry C, 2015, 119 (12), pp.6511 - 6517. ⟨10.1021/jp510885f⟩ Article dans une revue hal-01896353v1
Nano-scale mechanics of colloidal C-S-H gels E. Masoero,E. Delgado,R.J.M. Pellenq,S. Yip,F.J. Ulm Soft Matter, 2014, 10 (3), pp.491-499. ⟨10.1039/c3sm51815a⟩ Article dans une revue hal-00975053v1
Controlling local packing and growth in calcium–silicate–hydrate gels Katerina Ioannidou,Roland J.-M. Pellenq,Emanuela del Gado Soft Matter, 2014, 10 (8), pp.1121-1133. ⟨10.1039/C3SM52232F⟩ Article dans une revue hal-02068332v1
Atomic-scale modelling of elastic and failure properties of clays G. Hantal,Laurent Brochard,H. Laubie,E. Ebrahimi,R-J-M. Pellenqet al. Molecular Physics, 2014, 112 (9-10), pp.1294-1305 Article dans une revue hal-01021110v1
Surface Chemistry and Atomic-Scale Reconstruction of Kerogen-Silica Composites G. Hantal,Laurent Brochard,M.N.D.S. Cordeiro,F.J. Ulm,R.J.M. Pellenq Journal of Physical Chemistry C, 2014, 118 (5), pp.2429-2438 Article dans une revue hal-00975156v1
Effect of temperature on adsorption of mixtures in porous materials Kerstyn I. Falk,Roland J.-M. Pellenq,Benoit Coasne Molecular Simulation, 2014, 40 (1-3), pp.4-51. ⟨10.1080/08927022.2013.852192⟩ Article dans une revue hal-00941944v1
A soft matter in construction – Statistical physics approach to formation and mechanics of C–S–H gels in cement E. del Gado,K. Ioannidou,E. Masoero,A. Baronnet,R.J.-M. Pellenqet al. The European Physical Journal. Special Topics, 2014, 223 (11), pp.2285-2295. ⟨10.1140/epjst/e2014-02264-1⟩ Article dans une revue hal-02068330v1
Elastic properties of swelling clay particles at finite temperature upon hydration Benoît Carrier,Matthieu Vandamme,Roland J.-M. Pellenq,Henri van Damme Journal of Physical Chemistry C, 2014, 118, pp.8933-8943. ⟨10.1021/jp412160e⟩ Article dans une revue hal-01118565v1
Adsorption, intrusion and freezing in porous silica: the view from the nanoscale Benoit Coasne,Anne Galarneau,Roland J. M. Pellenq,Francesco Di Renzo Chemical Society Reviews, 2013, 42, pp.4141-4171. ⟨10.1039/c2cs35384a⟩ Article dans une revue hal-00790061v1
ESEM study of the humidity-induced swelling of clay film Benoît Carrier,Linlin Wang,Matthieu Vandamme,Roland Pellenq,Michel Bornertet al. Langmuir, 2013, 29 (41), pp.12823-12833. ⟨10.1021/la402781p⟩ Article dans une revue hal-00946090v1
Molecular intermittent dynamics of interfacial water: probing adsorption and bulk confinement P. Levitz,P. A. Bonnaud,P. A. Cazade,R.J.M. Pellenq,Benoit Coasne Soft Matter, 2013, 9 (36), pp.8654-8663. ⟨10.1039/c3sm51940f⟩ Article dans une revue hal-00870195v1
Molecular Simulations of Supercritical Fluid Permeation through Disordered Microporous Carbons Alexandru Botan,Romain Vermorel,Franz-Josef Ulm,Roland J.-M. Pellenq Langmuir, 2013, 29 (32), pp.9985-9990. ⟨10.1021/la402087r⟩ Article dans une revue hal-00856240v1
Poromechanics of microporous media Laurent Brochard,Matthieu Vandamme,Roland J. M. Pellenq Journal of the Mechanics and Physics of Solids, 2012, 60 (4), pp.606-622 Article dans une revue hal-00691798v1
Adsorption-induced deformation of microporous materials: coal swelling induced by CO2-CH4 competitive adsorption Laurent Brochard,Matthieu Vandamme,Roland J. M. Pellenq,Teddy Fen-Chong Langmuir, 2012, 28 (5), pp.2659-2670 Article dans une revue hal-00691799v1
Structure and properties of nanoscale materials: theory and atomistic computer simulation C. Bichara,P. Marsal,C. Mottet,R. Pellenq,F. Ribeiroet al. International Journal of Nanotechnology, 2012, 9 (3-7), pp.576-604. ⟨10.1504/IJNT.2012.045335⟩ Article dans une revue hal-00697530v1
Nanostructure and Nanomechanics of Cement: Polydisperse Colloidal Packing E. Masoero,E. del Gado,R.J.M. Pellenq,F.J. Ulm,S. Yip Physical Review Letters, 2012, 109 (15), pp.155503. ⟨10.1103/PhysRevLett.109.155503⟩ Article dans une revue hal-00773481v1
Solvated calcium ions in charged silica nanopores Patrick Bonnaud,Benoit Coasne,Roland Pellenq The Journal of Chemical Physics, 2012, 137 (6), pp.064706. ⟨10.1063/1.4742854⟩ Article dans une revue hal-00746062v1
Set in stone? A perspective on the concrete sustainability challenge K. van Vliet,R. Pellenq,M.J. Buehler,J.C. Grossman,H. Jenningset al. MRS Bulletin, 2012, 37 (4), pp.395 Article dans une revue hal-00724323v1
Thermodynamics of Water Confined in Porous Calcium-Silicate-Hydrates P. A. Bonnaud,Q. Ji,Benoit Coasne,R. J.-M. Pellenq,K. J. van Vliet Langmuir, 2012, 28 (31), pp.11422-11432. ⟨10.1021/la301738p⟩ Article dans une revue hal-00746067v1
An atomistic modelling of the porosity impact on UO(2) matrix macroscopic properties A. Jelea,M. Colbert,F. Ribeiro,G. Tréglia,R.J.M. Pellenq Journal of Nuclear Materials, 2011, 415 (2), pp.210-216. ⟨10.1016/j.jnucmat.2011.06.006⟩ Article dans une revue istex hal-00696841v1
Tight binding within the fourth moment approximation: Efficient implementation and application to liquid Ni droplet diffusion on graphene J.H. Los,C. Bichara,R.-J.-M. Pellenq Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 84 (8), pp.085455. ⟨10.1103/PhysRevB.84.085455⟩ Article dans une revue hal-00695996v1
Molecular simulation of water confined in nanoporous silica P. A. Bonnaud,Benoit Coasne,R. J. M. Pellenq Journal of Physics: Condensed Matter, 2010, 22 (28), pp.284110. ⟨10.1088/0953-8984/22/28/284110⟩ Article dans une revue hal-00526002v1
Determination of the bulk melting temperature of nickel using Monte Carlo simulations : inaccuracy of extrapolation from cluster melting temperatures J.H. Los,R.J.-M. Pellenq Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2010, 81 (6), pp.064112. ⟨10.1103/PhysRevB.81.064112⟩ Article dans une revue hal-00476533v1
Molecular Simulation of Nitrogen Adsorption in Nanoporous Silica Benoit Coasne,Anne Galarneau,Francesco Di Renzo,Roland J. M. Pellenq Langmuir, 2010, 26 (13), pp.10872-10881. ⟨10.1021/la100757b⟩ Article dans une revue hal-00515102v1
Intrusion and retraction of fluids in nanopores : effect of morphological heterogeneity Benoit Coasne,A. Galarneau,F. Di Renzo,R.J-M. Pellenq Journal of Physical Chemistry C, 2009, 113 (5), pp.1953-1962 Article dans une revue hal-00447708v1
A realistic molecular model of cement hydrates R.J.-M. Pellenq,A. Kushima,R. Shahsavari,K.J. van Vliet,M.J. Buehleret al. Proceedings of the National Academy of Sciences of the United States of America, 2009, 106 (38), pp.16102-16107. ⟨10.1073/pnas.0902180106⟩ Article dans une revue hal-00447710v1
Zinc Oxide Nanostructures Confined in Porous Silicas Benoit Coasne,Aude Mezy,R. J. M. Pellenq,D. Ravot,Jean-Claude Tedenac Journal of the American Chemical Society, 2009, 131 (6), pp.2185-2198. ⟨10.1021/ja806666n⟩ Article dans une revue hal-00362369v1
Simple phenomenological model for phase transitions in confined geometry.2.Capillary condensation/Evaporation in cylindrical mesopores R.J.-M. Pellenq,Benoit Coasne,R.O. Denoyel,O. Coussy Langmuir, 2009, 25 (3), pp.1393-1402 Article dans une revue hal-00386928v1
Hydrogen storage enhanced in Li-doped carbon replica of zeolites : a possible route to achieve fuel cell demand T. Roussel,C. Bichara,K.E. Gubbins,R.J.M. Pellenq The Journal of Chemical Physics, 2009, 130 (17), pp.174717 Article dans une revue hal-00413543v1
First-principles study of elastic constants and interlayer interactions of complex hydrated oxides : case study of Tobermorite and Jennite R. Shahsavari,M.J. Buehler,R.J.-M. Pellenq,F.J. Ulm Journal of the American Ceramic Society, 2009, 92 (10), pp.2323-2330 Article dans une revue hal-00447709v1
Intrusion and Retraction of Fluids in Nanopores: Effect of Morphological Heterogeneity Benoit Coasne,Anne Galarneau,Francesco Di Renzo,Roland J. M. Pellenq Journal of Physical Chemistry C, 2009, 113 (5), pp.1953-1962. ⟨10.1021/jp807828a⟩ Article dans une revue hal-00358633v1
Simple Phenomenological Model for Phase Transitions in Confined Geometry. 2. Capillary Condensation/Evaporation in Cylindrical Mesopores Roland J.-M. Pellenq,Benoit Coasne,Renaud O. Denoyel,Olivier Coussy Langmuir, 2009, 25 (3), pp.1393-1402. ⟨10.1021/la8020244⟩ Article dans une revue hal-00362362v1
Molecular simulation of adsorption and intrusion in nanopores Benoit Coasne,A. Galarneau,F. Di Renzo,R.J.-M. Pellenq Adsorption - Journal of the International Adsorption Society, 2008, 14 (2-3), pp.215-221 Article dans une revue hal-00303811v1
Molecular simulations of water in hydrophobic microporous solids R.-J.-M. Pellenq,T. Roussel,Joël Puibasset Adsorption - Journal of the International Adsorption Society, 2008, 14 (4-5), pp.733-742 Article dans une revue hal-00475810v1
Engineering the bonding scheme in C-S-H: the iono-covalent framework R.J.M. Pellenq,N. Lequeux,H. van Damme Cement and Concrete Research, 2008, 38 (2), pp.159-174 Article dans une revue hal-00303810v1
Strong physisorption site for H-2 in K- and Li-doped porous carbons R.J.-M. Pellenq,F. Marinelli,J.D. Fuhr,F. Fernandez-Alonso,K. Refson The Journal of Chemical Physics, 2008, 129 (22), pp.224701 Article dans une revue hal-00386927v1
Grand Canonical Monte Carlo Simulation Study of Water Adsorption in Silicalite at 300 K Joël Puibasset,R.J.-M. Pellenq Journal of Physical Chemistry C, 2008, 112, pp.6390-6397 Article dans une revue hal-00303812v1
Molecular simulation of adsorption and intrusion in nanopores Benoit Coasne,Anne Galarneau,Francesco Di Renzo,Roland J. M. Pellenq Adsorption - Journal of the International Adsorption Society, 2008, 14, pp.215-221. ⟨10.1007/s10450-008-9104-2⟩ Article dans une revue istex hal-00277306v1
Adsorption of simple fluid on silica surface and nanopore: Effect of surface chemistry and pore shape Benoit Coasne,A. Galarneau,F. Di Renzo,R. J. M. Pellenq Langmuir, 2008, 24, pp.7285. ⟨10.1021/la800567g⟩ Article dans une revue istex hal-00297323v1
Adsorption of simple fluid on silica surface and nanopore : effect of surface chemistry and pore shape Benoit Coasne,F. Di Renzo,A. Galarneau,R.J. -M. Pellenq Langmuir, 2008, 24 (14), pp.7285-7293 Article dans une revue hal-00386926v1
Molecular simulation of adsorption and intrusion in nanopores Benoit Coasne,A. Galarneau,F. Di Renzo,R.J-M. Pellenq Adsorption - Journal of the International Adsorption Society, 2008, 14 (2-3), pp.215-221 Article dans une revue hal-00475811v1
Water confined in two mesoporous silica glasses: influence of temperature ion adsorption/desorption hystersis loop and fluid structure Joël Puibasset,R.J.M. Pellenq The European Physical Journal. Special Topics, 2007, 141, pp.41 Article dans une revue hal-00175324v1
Engineering the bonding scheme in C-S-H : The iono-covalent framework R.J.-M. Pellenq,Nicolas Lequeux,Henri van Damme Cement and Concrete Research, 2007, 38, pp.159-174. ⟨10.1016/j.cemconres.2007.09.026⟩ Article dans une revue istex hal-00265858v1
Experimental and atomistic simulation study of the structural and adsorption properties of Faujasite zeolite-templated nanostructured carbon materialst T. Roussel,A. Didion,R.J.M. Pellenq,R. Gadiou,C. Bicharaet al. Journal of Physical Chemistry C, 2007, 111, pp.15863 Article dans une revue hal-00386857v1
Effect of morphological defects on gas adsorption in nanoporous silicas F. Renzo,R.J.M. Pellenq Journal of Physical Chemistry C, 2007, 111, pp.15759 Article dans une revue hal-00386856v1
Structure of narrow-diameter single-wall carbon nanotubes grown in AlPO4-5 zeolite T. Roussel,R.J.M. Pellenq,C. Bichara Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 76, pp.235418 Article dans une revue hal-00386854v1
Effect of Morphological Defects on Gas Adsorption in Nanoporous Silicas Benoit Coasne,Anne Galarneau,Francesco Di Renzo,Roland J. M. Pellenq Journal of Physical Chemistry C, 2007, 111 (43), pp.15759-15770. ⟨10.1021/jp073678a⟩ Article dans une revue istex hal-00182182v1
Atomistic calculations of structural and elastic properties of serpentine minerals: The case of lizardite Anne-Line Auzende,Rolland J.-M. Pellenq,Bertrand Devouard,Alain Baronnet,O. Grauby Physics and Chemistry of Minerals, 2006, 33 (4), pp.266-275. ⟨10.1007/s00269-006-0078-x⟩ Article dans une revue istex hal-00177436v1
Deuterium adsorption in single wall carbon nanotube doped with lithium and potassium: adsorption isotherms and in situ neutron diffraction L. Duclaux,S. Los,P. Azais,R.J.M. Pellenq,Y. Bretonet al. Journal of Physics and Chemistry of Solids, 2006, 67, n° 5-6, pp.1122-1126 Article dans une revue hal-00111120v1
Adsorption of Simple Gases in MCM-41 Materials: The Role of Surface Roughness Benoit Coasne,Francisco R. Hung,Roland J.-M. Pellenq,Flor R. Siperstein,Keith E. Gubbins Langmuir, 2006, 22, pp.194. ⟨10.1021/la051676g⟩ Article dans une revue istex hal-00186789v1
Gas Adsorption in Mesoporous Micelle-Templated Silicas: MCM-41, MCM-48, and SBA-15 Benoit Coasne,A. Galarneau,F. Di Renzo,R. J. M. Pellenq Langmuir, 2006, 22, pp.11097. ⟨10.1021/la061728h⟩ Article dans une revue istex hal-00183122v1
Atomistic Simulation and Theory of Nanoporous Carbons and Nanostructures Roland J-M Pellenq Molecular Simulation, 2006, 32 (07), pp.485-486. ⟨10.1080/08927020600885447⟩ Article dans une revue hal-00514998v1
Adsorption of sample gases in MCM-41 materials : the role of surface roughness Benoit Coasne,F.R. Hung,R.J.M. Pellenq,F.R. Siperstein,K.E. Gubbins Langmuir, 2006, 22, pp.194 Article dans une revue hal-00023672v1
An experimental and mesoscopic lattice simulation study of styrene-butadiene latex-cement composites properties Olivier Rozenbaum,R.J.M. Pellenq,Henri van Damme Materials and structures, 2005, 38, pp.467-478. ⟨10.1007/BF02482143⟩ Article dans une revue istex hal-00112580v1
Ab initio calculations on hydrogen storage in porous carbons O. Maresca,F. Marinelli,R.J.M. Pellenq,L. Duclaux,P. Azaiset al. Annales de Chimie - Science des Matériaux, 2005, 30, n° 4, pp.385-391 Article dans une revue hal-00015254v1
Selenium and carbon nanostructures in the pores of AlPO4-5 T. Roussel,C. Bichara,R.J.M. Pellenq Adsorption - Journal of the International Adsorption Society, 2005, 11, pp.709-714 Article dans une revue hal-00015248v1
Domain theory for capillary condensation hysteresis Benoit Coasne,K. E. Gubbins,R. J. M. Pellenq Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2005, 72, pp.024304. ⟨10.1103/PhysRevB.72.024304⟩ Article dans une revue hal-00381741v1
Low dimensionality and confining materials R.J.P. Pellenq,H. van Damme Annales de Chimie - Science des Matériaux, 2005, 30, n° 4, pp.327-328 Article dans une revue hal-00015253v1
Effects of activation on the structure and adsorption properties of a nanoporous carbon using molecular simulation Sk. Jain,J.P. Pikunic,R.J.M. Pellenq,K.E. Gubbins Adsorption - Journal of the International Adsorption Society, 2005, 11, pp.355-360 Article dans une revue hal-00015243v1
The Adsorption of Argon and Nitrogen in Silicalite-1 Zeolite: A Grand Canonical Monte-Carlo study Dominique Douguet,Roland J.-M. Pellenq,Anne Boutin,Alain Fuchs,David Nicholson Molecular Simulation, 1996, 17 (4-6), pp.255-288. ⟨10.1080/08927029608024112⟩ Article dans une revue hal-02115456v1

Communication dans un congrès (27)

Unraveling the molecular basis of silicate gels and geopolymer formation through simulations Romain Dupuis,Anthony Saliou,Arnaud Poulesquen,Katerina Ioannidou,Roland J.-M. Pellenq EUROMECH - A multidisciplinary discussion on binder cohesion, EUROMECH; USERS – CNRS, May 2024, Vienne, Austria Communication dans un congrès hal-04968198v1
Potential Mean Force (PMF) Calculations for Aluminosilicate grains in Solution Anthony Saliou,Romain Dupuis,Roland J.-M. Pellenq,Katerina Ioannidou conférence ISIEM, Jun 2023, Montpellier, France Communication dans un congrès hal-04968632v1
Creep-like settlement of railway ballast under cyclic loading Farhang Radjai,Patrick Mutabaruka,Roland J.-M. Pellenq,F.-J. Ulm 8th International Conference on Discrete Element Methods (DEM8), Jul 2019, Enschede, Netherlands Communication dans un congrès hal-04966603v1
Creep-like settlement of railway ballast under cyclic loading Farhang Radjai,Patrick Mutabaruka,Roland J.-M. Pellenq,F.-J. Ulm Powders and Granular Materials, Jun 2019, Montpellier, France Communication dans un congrès hal-04966599v1
Micromechanics of the granulation process in wet granular flows Thanh-Trung Vo,Saeid Nezamabadi,Patrick Mutabaruka,Jean-Yves Delenne,Roland J.-M. Pellenqet al. Engineering Mechanics Institute (EMI) Conference 2018, May 2018, Dartmouth, United States Communication dans un congrès hal-01815803v1
Cohesive strength of iron ore granules Rafael Jaimes Contreras,Nicolas Berger,Edouard Izard,Jean-François Douce,Alexey Koltsovet al. International Conference on Micromechanics of Granular Media (Powders & Grains), Jul 2017, Montpellier, France. ⟨10.1051/epjconf/201714008020⟩ Communication dans un congrès hal-01594572v1
Discrete Poroelasticity of Heterogeneous Media Siavash Monfared,Hadrien Laubie,Farhang Radjai,Roland J. M. Pellenq,F.J. Ulm POROMECHANICS VI: The Sixth Biot Conference onN Poromechanics, Jul 2017, Paris, France Communication dans un congrès hal-01783564v1
The Meso-Scale Texture of Cement Hydrate Gels: Out-of-Equilibrium Evolution and Thermodynamic Driving Emanuela del Gado,Katerina Ioannidou,Enrico Masoero,Roland J.-M. Pellenq,Franz-Josef Ulmet al. 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⟩ Communication dans un congrès hal-02068354v1
Hydration Kinetics and Gel Morphology of C-S-H K. Ioannidou,E. Masoero,P. Levitz,R. J.-M. Pellenq,E. del Gado 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⟩ Communication dans un congrès hal-02068356v1
Experimental study of swelling of thin clay films induced by adsorption of water B. Carrier,L. Wang,Matthieu Vandamme,R. J.-M. Pellenq,Michel Bornertet al. 6th International Conference on Porous Media, May 2014, Milwaukee, United States Communication dans un congrès hal-01140056v1
Observation au MEB environnemental des gonflements de films fin d'argile induits par des variations d'humidité relative Benoît Carrier,L. Wang,Matthieu Vandamme,R. Pellenq,Michel Bornertet al. 24e Réunion des Sciences de la Terre, Oct 2014, Pau, France Communication dans un congrès hal-01137673v1
Fracture Mechanisms in Organic-Rich Shales: Role of Kerogen Laurent Brochard,György Hantal,Hadrien Laubie,Franz-Joseph Ulm,R.J.M. Pellenq Fifth Biot Conference on Poromechanics, 2013, Vienna, Austria. pp.2471-2480 Communication dans un congrès hal-01274165v1
Chemistry of Interfaces Between Inorganic Minerals and Porous Carbons : Implications for the Mechanical Properties of Gas Shale György Hantal,Laurent Brochard,Benoit Coasne,Franz-Joseph Ulm,R.J.M. Pellenq Annual world conference on Carbon (Carbon 2013), 2013, Rio de Janeiro, Brazil Communication dans un congrès hal-01274168v1
Fracture Properties of Kerogen and Importance for Organic-Rich Shales Laurent Brochard,György Hantal,Hadrien Laubie,R.J.M. Pellenq,Franz-Joseph Ulm Annual world conference on Carbon (Carbon 2013), Jul 2013, Rio de Janeiro, Brazil Communication dans un congrès hal-01274161v1
Poromechanics of Microporous Carbons: Application to Coal Swelling during Carbon Storage Laurent Brochard,Matthieu Vandamme,R.J.M. Pellenq,Teddy Fen-Chong Annual world conference on Carbon (Carbon 2012), Jun 2012, Krakow, Poland Communication dans un congrès hal-01274150v1
Carbon dioxide injection in coal beds: from molecular simulations to reservoir simulations Saeid Nikoosokhan,Laurent Brochard,Matthieu Vandamme,Patrick Dangla,Roland J. M. Pellenqet al. Geoproc 2011, Jul 2011, Perth, Australia Communication dans un congrès hal-00691803v1
Adsorption and strain: from the molecule to a coal bed reservoir Laurent Brochard,Saeid Nikoosokhan,Matthieu Vandamme,Patrick Dangla,Roland J. M. Pellenqet al. 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 Communication dans un congrès hal-00691802v1
Effect of nanopore adsorption on solid mechanics : case of CO2 induced swelling of coal Laurent Brochard,Matthieu Vandamme,Roland J. M. Pellenq,Teddy Fen-Chong 3rd International Conference on Porous Media, Interpore, Mar 2011, Bordeaux, France Communication dans un congrès hal-00691800v1
Atomistic reconstruction of pyrocarbons nanostructure from HRTEM data Jean-Marc Leyssale,Gérard Vignoles,Raphael Vitti,Jean-Pierre da Costa,Christian Germainet al. Carbon 2009, Jun 2009, France. pp.#522 Communication dans un congrès hal-00391352v1
Molecular modeling of the thermodynamical stability of ZnO nanostructures obtained within porous materials Benoit Coasne,Aude. Mezy,R.J.-M. Pellenq,Didier Ravot,Jean-Claude Tedenac 6th International Conference on Inorganic Materials, Sep 2008, Dresde, Germany Communication dans un congrès hal-00339584v1
Nanostructures de ZnO obtenues dans des matériaux nanoporeux : Expérience et simulation moléculaire Aude. Mezy,Benoit Coasne,F. Henn,R.J.M. Pellenq,Didier Ravotet al. 23 ème réunion du groupe français des zéolithes, Mar 2007, La Grande Motte, France Communication dans un congrès hal-00278892v1
Adsorption of hydrogen in doped microporous carbons L. Duclaux,S. Los,R. Babaa,T. Roussel,R. Pellenqet al. Carbon for Energy Storage and Environmental Protection (CESEP), Sep 2007, Cracovie, Poland Communication dans un congrès hal-00161442v1
Thermodynamical stability of ZnO nanostructures obtained with porous materials : Experiment and molecular simulation Aude. Mezy,Benoit Coasne,Francois Henn,R. J.-M. Pellenq,Didier Ravotet al. JEEP XXXIII: journées d'étude des équilibres entre phases, Mar 2007, Lyon, France Communication dans un congrès hal-00278894v1
Caractérisations structurales de la réplique carbonée de la zéolithe EMC-2 : comparaison entre expériences et simulations Julien Parmentier,Fabrice Gaslain,Valentin Valtchev,Joël Patarin,L. Solovyovet al. Journées scientifiques du Groupe Français d'Etude des Carbones, (GFEC), Apr 2006, Presqu'îles de Giens, France Communication dans un congrès hal-00268830v1
Effect of pore morphology and topology on capillary condensation in nanopores: a theoretical and molecular simulation study R..J.-M. Pellenq,Benoit Coasne,R.O. Denoyel,Joël Puibasset Characterization of Porous Solids VII, 2005, France. pp.1, ⟨10.1016/S0167-2991(07)80002-4⟩ Communication dans un congrès hal-00183306v1
Réplique carbonée de la zéolithe EMT : Expériences et Simulations T. Roussel,Fabrice Gaslain,R. Pellenq,Julien Parmentier,C. Bichara 22ème Réunion du Groupe Français des Zéolithes (GFZ), Mar 2006, La Rochelle, France Communication dans un congrès hal-00268913v1
Temperature effect on adsorption/desorption isotherms for a simple fluid confined within various nanopores Benoit Coasne,K. E. Gubbins,R. J. M. Pellenq Fundamentals of Adsorption 8, 2004, United States. pp.289, ⟨10.1007/s10450-005-5939-y⟩ Communication dans un congrès istex hal-00381706v1

Pré-publication, Document de travail (3)

How do Urban Factors Control the Severity of COVID-19? Jacob Roxon,Marie-Sophie Dumont,Eric Vilain,Roland J.M. Pellenq 2023 Pré-publication, Document de travail hal-03920303v1
Condensation and Growth of Amorphous Aluminosilicate Nanoparticles by Aggregation Process Romain Dupuis,Seung Ho Hahn,Adri C. T. van Duin,Roland Pellenq,Arnaud Poulesquen 2021 Pré-publication, Document de travail hal-03484661v1
Particle dynamics simulation of wet granulation in a rotating drum Thanh-Trung Vo,Saeid Nezamabadi,Patrick Mutabaruka,Jean-Yves Delenne,Edouard Izardet al. 2018 Pré-publication, Document de travail (preprint/prepublication) hal-02790961v1

Chapitre d'ouvrage (5)

Modeling inundation flooding in urban environments using density functional theory, Computational Modelling of Concrete and Concrete Structures E.D. Vartziotis,F.-J. Ulm,K. Boukin,Roland J.-M. Pellenq,Yann Magninet al. Computational Modelling of Concrete and Concrete Structures, 1, CRC Press, pp.605-612, 2022, 9781003316404. ⟨10.1201/9781003316404-71⟩ Chapitre d'ouvrage hal-04966153v1
Urban Physics: Introducing New Assessment Tools for Climate Risk Management in Urban Environments Jacob Roxon,Zaheer Allam,Catherine Gall,Carlos Moreno,Roland Pellenq ACS Publications. Energy Transition: Climate Action and Circularity, ACS Publications, pp.527-549, 2022, 0841297967. ⟨10.1021/bk-2022-1412.ch012⟩ Chapitre d'ouvrage hal-04464521v1
Modeling inundation flooding in urban environments using density functional theory E D Vartziotis,F-J Ulm,K Boukin,Roland J.-M. Pellenq,Y Magninet al. Computational Modelling of Concrete and Concrete Structures, pp.605 - 612, 2022, ⟨10.1201/9781003316404-71⟩ Chapitre d'ouvrage hal-03698583v1
Hydration Kinetics and Gel Morphology of C-S-H K Ioannidou,,E Masoero,,P Levitz,,J.-M. Pellenq, R.,E del Gado, 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⟩ Chapitre d'ouvrage hal-01489161v1
CO2 Storage in Coal Seams: Coupling Surface Adsorption and Strain Saeid Nikoosokahn,Laurent Brochard,Patrick Dangla,Matthieu Vandamme,R.J.M. Pellenqet al. Geomechanics in CO2 Storage Facilities, 2012, 9781118577455 Chapitre d'ouvrage hal-01274159v1

Poster de conférence (4)

Molecular simulation of the role of interlayer water on the mechanical properties of montmorillonite Benoît Carrier,Davoud Ebrahim,Matthieu Vandamme,J. Whittle,Roland Pellenqet al. France. 2013 Poster de conférence hal-00948688v1
Cohesion between two clay lamellae: from primitive model to full molecular simulation Benoît Carrier,Roland J-M Pellenq,Matthieu Vandamme,H. van Damme France. 2013 Poster de conférence hal-00948677v1
Adsorption behavior in disordered nanoporous solids Laurent Brochard,Matthieu Vandamme,R.J.M. Pellenq,Teddy Fen-Chong Mechanics and Physics of Porous Solids - mpps 2011, Apr 2011, Champs-Sur-Marne, France. 2011 Poster de conférence hal-00702677v1
Coupling of adsorption and strain in coal Laurent Brochard,Matthieu Vandamme,Roland Pellenq,Fen-Chong Teddy ALERT-geomaterials - Workshop 2011 (21st edition), Oct 2011, Aussois, France. Poster de conférence hal-03995472v1