Roland Pellenq

178
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Publications

Publications

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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. Omran et al.

Construction and Building Materials, 2025, 489, pp.142246. ⟨10.1016/j.conbuildmat.2025.142246⟩

Article dans une revue hal-05132861v1
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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
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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
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Ion docking drives HER carbon-based electrocatalyst performance

Javier Quílez-Bermejo , Romain Dupuis , Rafael Canevesi , Katerina Ioannidou , Alain Celzard et al.

Carbon, 2025, 241, pp.120383. ⟨10.1016/j.carbon.2025.120383⟩

Article dans une revue hal-05220983v1
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Impact of MgCl<sub>2</sub> 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
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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
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Pressure and temperature diagram of C<sub>60</sub> 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
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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 Coudert et al.

Nature Communications, 2024, 15 (1), pp.3585. ⟨10.1038/s41467-024-47838-9⟩

Article dans une revue hal-04561878v1
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Optimal CO2 intake in metastable water film in mesoporous materials

Gen Li , Yong Tao , Xinping Zhu , Yining Gao , Peiliang Shen et al.

Nature Communications, 2024, 15 (1), pp.10790. ⟨10.1038/s41467-024-55125-w⟩

Article dans une revue hal-04866242v1

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
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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
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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
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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
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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
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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
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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
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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
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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 Nallet et al.

ACS Applied Materials & Interfaces, 2022, 14 (11), pp.13305-13316. ⟨10.1021/acsami.1c24554⟩

Article dans une revue hal-03616895v1
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Binary CoOx–SiO<sub>2</sub> Porous Nanostructures for Catalytic CO Oxidation

Isabelle Ly , Antoine Vardon , Nicolas Chanut , Frédéric Nallet , Roland Pellenq et al.

ACS Applied Nano Materials, 2022, 5 (5), pp.7331-7343. ⟨10.1021/acsanm.2c01258⟩

Article dans une revue hal-03920223v2
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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
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The physics of cement cohesion

Abhay Goyal , Ivan Palaia , Katerina Ioannidou , Franz-Josef Ulm , Henri van Damme et al.

Science Advances , 2021, 7 (32), pp.eabg5882. ⟨10.1126/sciadv.abg5882⟩

Article dans une revue hal-03330052v1
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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
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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
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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. Vignoles et al.

Journal of Physical Chemistry C, 2020, 124 (23), pp.12784-12793. ⟨10.1021/acs.jpcc.0c02921⟩

Article dans une revue hal-03018518v1
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Heterogeneous Surface Growth and Gelation of Cement Hydrates

Abhay Goyal , Katerina Ioannidou , Christopher Tiede , Pierre Levitz , Roland J.-M. Pellenq et al.

Journal of Physical Chemistry C, 2020, 124 (28), pp.15500-15510. ⟨10.1021/acs.jpcc.0c02944⟩

Article dans une revue hal-02902372v1
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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
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Simulating the Geological Fate of Terrestrial Organic Matter: Lignin vs Cellulose

Lea Atmani , Pierre-Louis Valdenaire , Roland J.-M. Pellenq , Christophe Bichara , Henri van Damme et al.

Energy & Fuels, 2020, 34 (2), pp.1537-1547. ⟨10.1021/acs.energyfuels.9b03681⟩

Article dans une revue hal-02491070v1
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Hydrocarbon Diffusion in Mesoporous Carbon Materials: Implications for Unconventional Gas Recovery

Yann Magnin , Jérémie Berthonneau , Nicolas Chanut , Daniel Ferry , O. Grauby et al.

ACS Applied Nano Materials, 2020, 3 (8), pp.7604-7610. ⟨10.1021/acsanm.0c01191⟩

Article dans une revue hal-02932903v1
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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
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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
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Effect of Confinement on Capillary Phase Transition in Granular Aggregates

Siavash Monfared , Tingtao Zhou , José Andrade , Katerina Ioannidou , Farhang Radjai et al.

Physical Review Letters, 2020, 125 (25), pp.255501. ⟨10.1103/PhysRevLett.125.255501⟩

Article dans une revue hal-03100486v1
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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
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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
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Agglomeration of wet particles in dense granular flows

Thanh Trung Vo , Saeid Nezamabadi , Patrick Mutabaruka , Jean-Yves Delenne , Edouard Izard et 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

Capillary Stress and Structural Relaxation in Moist Granular Materials

Tingtao Zhou , Katerina Ioannidou , Enrico Masoero , Mohammad Mirzadeh , Roland J.-M. Pellenq et al. Article dans une revue hal-02068337v1
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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
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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

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
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Mesoscale structure, mechanics, and transport properties of source rocks’ organic pore networks

Jérémie Berthonneau , Amaël Obliger , Pierre-Louis Valdenaire , Olivier Grauby , Daniel Ferry et 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
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Mechanical strength of wet particle agglomerates

Thanh-Trung Vo , Patrick Mutabaruka , Saeid Nezamabadi , Jean-Yves Delenne , Edouard Izard et al.

Mechanics Research Communications, 2018, 92, pp.1-7. ⟨10.1016/j.mechrescom.2018.07.003⟩

Article dans une revue hal-01863416v1

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

Poroelasticity of Methane-Loaded Mature and Immature Kerogen from Molecular Simulations

Amaël Obliger , Pierre-Louis Valdenaire , Nicolas Capit , Franz Ulm , Roland J.-M. Pellenq et al.

Langmuir, 2018, 34 (45), pp.13766-13780. ⟨10.1021/acs.langmuir.8b02534⟩

Article dans une revue hal-01958679v1

Atomistic and mesoscale simulation of sodium and potassium adsorption in cement paste

Alice Dufresne , Jack Arayro , Tingtao Zhou , Katerina Ioannidou , Franz-Josef Ulm et al.

The Journal of Chemical Physics, 2018, 149 (7), pp.074705. ⟨10.1063/1.5042755⟩

Article dans une revue hal-01958598v1

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
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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 Pellenq et al.

Acta Geotechnica, 2018, 13 (6), pp.1369-1394. ⟨10.1007/s11440-018-0687-9⟩

Article dans une revue hal-01958690v1

Thermodynamics, kinetics, and mechanics of cesium sorption in cement paste: A multiscale assessment

Jack Arayro , Alice Dufresne , Tingtao Zhou , Katerina Ioannidou , Josef-Franz Ulm et al.

Physical Review Materials, 2018, 2 (5), ⟨10.1103/PhysRevMaterials.2.053608⟩

Article dans une revue hal-01957918v1
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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
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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

Magnetism as indirect tool for carbon content assessment in nickel nanoparticles

Y. Oumellal , Y. Magnin , A. Martínez de Yuso , J. Aguiar Hualde , H. Amara et al.

Journal of Applied Physics, 2017, 122 (21), pp.213902. ⟨10.1063/1.5006138⟩

Article dans une revue hal-02465035v1
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From cellulose to kerogen: molecular simulation of a geological process

Lea Atmani , Christophe Bichara , Roland J.-M. Pellenq , Henri van Damme , Adri van Duin et al.

Chemical Science, 2017, 8 (12), pp.8325 - 8335. ⟨10.1039/C7SC03466K⟩

Article dans une revue hal-01724050v1
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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 Taupin et al.

Cement and Concrete Research, 2017, 100, pp.110 - 118. ⟨10.1016/j.cemconres.2017.05.022⟩

Article dans une revue cea-01543011v1
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cemff : A force field database for cementitious materials including validations, applications and opportunities

Ratan Mishra , Aslam Kunhi Mohamed , David Geissbühler , Hegoi Manzano , Tariq Jamil et 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
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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
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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
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Topological Control on the Structural Relaxation of Atomic Networks under Stress

Mathieu Bauchy , Mengyi Wang , Yingtian Yu , Bu Wang , N. m. Anoop Krishnan et al.

Physical Review Letters, 2017, 119 (3), ⟨10.1103/PhysRevLett.119.035502⟩

Article dans une revue hal-01782950v1
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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
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Model representations of kerogen structures: An insight from density functional theory calculations and spectroscopic measurements

Philippe Weck , Eunja Kim , Yifeng Wang , Jessica Kruichak , Melissa Mills et al.

Scientific Reports, 2017, 7 (1), ⟨10.1038/s41598-017-07310-9⟩

Article dans une revue hal-01720437v1
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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

Crystal-chemistry control of the mechanical properties of 2:1 clay minerals

Jérémie Berthonneau , Christian G. Hoover , O. Grauby , Alain Baronnet , Roland J.-M. Pellenq et al.

Applied Clay Science, 2017, 143, pp.387 - 398. ⟨10.1016/J.clay.2017.04.010⟩

Article dans une revue hal-01672820v1
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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

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
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Effect of Water on Elastic and Creep Properties of Self-Standing Clay Films

Benoît Carrier , Matthieu Vandamme , Roland J.-M. Pellenq , Michel Bornert , Eric Ferrage et 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 texture of cement hydrates

Katerina Ioannidou , Konrad J. Krakowiak , Mathieu Bauchy , Christian G. Hoover , Enrico Masoero et 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

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

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. Ulm et 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 Qomi et al.

Acta Materialia, 2016, 121, pp.234-239. ⟨10.1016/j.actamat.2016.09.004⟩

Article dans une revue hal-01454996v1

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

Realistic molecular model of kerogen's nanostructure

Colin Bousige , Camelia Matei Ghimbeu , Cathie Vix-Guterl , Andrew E. Pomerantz , Assiya Suleimenova et al.

Nature Materials, 2016, 15 (5), pp.576+. ⟨10.1038/nmat4541⟩

Article dans une revue hal-01455009v1
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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
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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

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
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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
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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

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

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
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Atomic-scale modelling of elastic and failure properties of clays

G. Hantal , Laurent Brochard , H. Laubie , E. Ebrahimi , R-J-M. Pellenq et al.

Molecular Physics, 2014, 112 (9-10), pp.1294-1305

Article dans une revue hal-01021110v1
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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. Pellenq et 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
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ESEM study of the humidity-induced swelling of clay film

Benoît Carrier , Linlin Wang , Matthieu Vandamme , Roland Pellenq , Michel Bornert et al.

Langmuir, 2013, 29 (41), pp.12823-12833. ⟨10.1021/la402781p⟩

Article dans une revue hal-00946090v1

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

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
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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
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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. Ribeiro et 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. Jennings et 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
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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

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

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

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

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

A realistic molecular model of cement hydrates

R.J.-M. Pellenq , A. Kushima , R. Shahsavari , K.J. van Vliet , M.J. Buehler et 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

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
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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

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

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

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

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

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
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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 , 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

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

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

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

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

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. Bichara et 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

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
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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. Breton et al.

Journal of Physics and Chemistry of Solids, 2006, 67, n° 5-6, pp.1122-1126

Article dans une revue hal-00111120v1

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

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
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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

Ab initio calculations on hydrogen storage in porous carbons

O. Maresca , F. Marinelli , R.J.M. Pellenq , L. Duclaux , P. Azais et 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

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

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

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. Pellenq et al.

Engineering Mechanics Institute (EMI) Conference 2018, May 2018, Dartmouth, United States

Communication dans un congrès hal-01815803v1

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
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Cohesive strength of iron ore granules

Rafael Jaimes Contreras , Nicolas Berger , Edouard Izard , Jean-François Douce , Alexey Koltsov et al.

International Conference on Micromechanics of Granular Media (Powders & Grains), Jul 2017, Montpellier, France. ⟨10.1051/epjconf/201714008020⟩

Communication dans un congrès hal-01594572v1

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

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 Ulm et 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

Experimental study of swelling of thin clay films induced by adsorption of water

B. Carrier , L. Wang , Matthieu Vandamme , R. J.-M. Pellenq , Michel Bornert et 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 Bornert et al.

24e Réunion des Sciences de la Terre, Oct 2014, Pau, France

Communication dans un congrès hal-01137673v1
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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
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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
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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
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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

Adsorption and strain: from the molecule to a coal bed reservoir

Laurent Brochard , Saeid Nikoosokhan , Matthieu Vandamme , Patrick Dangla , Roland J. M. Pellenq et 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

Carbon dioxide injection in coal beds: from molecular simulations to reservoir simulations

Saeid Nikoosokhan , Laurent Brochard , Matthieu Vandamme , Patrick Dangla , Roland J. M. Pellenq et al.

Geoproc 2011, Jul 2011, Perth, Australia

Communication dans un congrès hal-00691803v1

Atomistic reconstruction of pyrocarbons nanostructure from HRTEM data

Jean-Marc Leyssale , Gérard Vignoles , Raphael Vitti , Jean-Pierre da Costa , Christian Germain et 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 Ravot et 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. Pellenq et 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 Ravot et al.

JEEP XXXIII: journées d'étude des équilibres entre phases, Mar 2007, Lyon, France

Communication dans un congrès hal-00278894v1

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

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. Solovyov et al.

Journées scientifiques du Groupe Français d'Etude des Carbones, (GFEC), Apr 2006, Presqu'îles de Giens, France

Communication dans un congrès hal-00268830v1

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

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
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Modeling inundation flooding in urban environments using density functional theory

E D Vartziotis , F-J Ulm , K Boukin , Roland J.-M. Pellenq , Y Magnin et al.

Computational Modelling of Concrete and Concrete Structures, pp.605 - 612, 2022, ⟨10.1201/9781003316404-71⟩

Chapitre d'ouvrage hal-03698583v1
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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 Magnin et 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

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. Pellenq et al.

Geomechanics in CO2 Storage Facilities, 2012, 9781118577455

Chapitre d'ouvrage hal-01274159v1