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How chemical defects influence the charging of nanoporous carbon supercapacitors
Romain Dupuis
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Pierre-Louis Valdenaire
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Roland J.-M. Pellenq
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Katerina Ioannidou
Journal articles
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Ion Specificity of Confined Ion–Water Structuring and Nanoscale Surface Forces in Clays
Francis Dragulet
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Abhay Goyal
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Katerina Ioannidou
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Roland J.-M. Pellenq
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Emanuela del Gado
Journal articles
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The physics of cement cohesion
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Ivan Palaia
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Katerina Ioannidou
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Franz-Josef Ulm
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Henri van Damme
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Phase diagram of brittle fracture in the semi-grand-canonical ensemble
T. Mulla
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S. Moeini
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Katerina Ioannidou
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Roland J.-M. Pellenq
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F.-J. Ulm
Journal articles
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Simulating the Geological Fate of Terrestrial Organic Matter: Lignin vs Cellulose
Lea Atmani
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Pierre-Louis Valdenaire
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Roland J.-M. Pellenq
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Christophe Bichara
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Henri van Damme
Journal articles
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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
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R.J.M. Pellenq
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Franz Joseph Ulm
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Adri C.T. van Duin
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Jean-Marc Leyssale
Journal articles
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Time resolved alkali silicate decondensation by sodium hydroxide solution
Romain Dupuis
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Donatien Gomes Rodrigues
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Jean-Baptiste Champenois
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Roland J.-M. Pellenq
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Arnaud Poulesquen
Journal articles
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Heterogeneous Surface Growth and Gelation of Cement Hydrates
Abhay Goyal
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Katerina Ioannidou
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Christopher Tiede
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Pierre Levitz
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Roland J.-M. Pellenq
Journal articles
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Hydrocarbon Diffusion in Mesoporous Carbon Materials: Implications for Unconventional Gas Recovery
Yann Magnin
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Jérémie Berthonneau
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Nicolas Chanut
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Daniel Ferry
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O. Grauby
Journal articles
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Morphology control of metallic nanoparticles supported on carbon substrates in catalytic conditions
Yann Magnin
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Emmanuel Villermaux
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Hakim Amara
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Christophe Bichara
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Roland J. M. Pellenq
Journal articles
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13C NMR Parameters of Disordered Carbons: Atomistic Simulations,
DFT Calculations, and Experimental Results
Alan Ambrozio
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Jean-Marc Leyssale
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Roland J-M Pellenq
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Fabio Al de Souza
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Gérard L. Vignoles
Journal articles
hal-03018518v1
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Urban heat island impact on state residential energy cost and CO2 emissions in the United States
J. Roxon
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F.-J. Ulm
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R.J.-M. Pellenq
Journal articles
hal-03100505v1
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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 articles
cea-03331870v1
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Effect of Confinement on Capillary Phase Transition in Granular Aggregates
Siavash Monfared
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Tingtao Zhou
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José Andrade
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Katerina Ioannidou
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Farhang Radjai
Journal articles
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Multiscale poromechanics of wet cement paste
Tingtao Zhou
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Katerina Ioannidou
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Franz-Josef Ulm
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Martin Bazant
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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⟩
Journal articles
hal-02160283v1
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Methane Diffusion in a Flexible Kerogen Matrix
Amaël Obliger
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Pierre-Louis Valdenaire
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Franz-Josef Ulm
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Roland J.-M. Pellenq
,
Jean-Marc Leyssale
Journal articles
hal-02372074v1
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Agglomeration of wet particles in dense granular flows
Thanh Trung Vo
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Saeid Nezamabadi
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Patrick Mutabaruka
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Jean-Yves Delenne
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Edouard Izard
Journal articles
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Capillary Stress and Structural Relaxation in Moist Granular Materials
Tingtao Zhou
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Katerina Ioannidou
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Enrico Masoero
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Mohammad Mirzadeh
,
Roland J.-M. Pellenq
Journal articles
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Effects of size polydispersity on random close-packed configurations of spherical particles
Patrick Mutabaruka
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Mahdi Taiebat
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Roland J.-M. Pellenq
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Farhang Radjai
Journal articles
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Molecular simulation of silica gels: Formation, dilution, and drying
Romain Dupuis
,
Laurent Karim Beland
,
Roland J.-M. Pellenq
Journal articles
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Mesoscale simulation of aggregation of imogolite nanotubes from potential of mean force interactions
Hejian Zhu
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Andrew Whittle
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Roland J.-M. Pellenq
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Katerina Ioannidou
Journal articles
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Poroelasticity of Methane-Loaded Mature and Immature Kerogen from Molecular Simulations
Amaël Obliger
,
Pierre-Louis Valdenaire
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Nicolas Capit
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Franz Ulm
,
Roland J.-M. Pellenq
Journal articles
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Atomistic and mesoscale simulation of sodium and potassium adsorption in cement paste
Alice Dufresne
,
Jack Arayro
,
Tingtao Zhou
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Katerina Ioannidou
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Franz-Josef Ulm
Journal articles
hal-01958598v1
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Mechanical strength of wet particle agglomerates
Thanh-Trung Vo
,
Patrick Mutabaruka
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Saeid Nezamabadi
,
Jean-Yves Delenne
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Edouard Izard
Journal articles
hal-01863416v1
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Le Châtelier’s conjecture: Measurement of colloidal eigenstresses in chemically reactive materials
Muhannad Abuhaikal
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Katerina Ioannidou
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Thomas Petersen
,
Roland J.-M. Pellenq
,
Franz-Josef Ulm
Journal articles
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
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Hadrien Laubie
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Farhang Radjai
,
Mija Hubler
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Roland Pellenq
Journal articles
hal-01958690v1
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Impact of Nanoporosity on Hydrocarbon Transport in Shales’ Organic Matter
Amaël Obliger
,
Franz-Josef Ulm
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Roland Pellenq
Journal articles
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Mesoscale structure, mechanics, and transport properties of source rocks’ organic pore networks
Jérémie Berthonneau
,
Amaël Obliger
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Pierre-Louis Valdenaire
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Olivier Grauby
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Daniel Ferry
Proceedings of the National Academy of Sciences of the United States of America, 2018, 115 (49), pp.12365-12370. ⟨10.1073/pnas.1808402115⟩
Journal articles
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Thermodynamics, kinetics, and mechanics of cesium sorption in cement paste: A multiscale assessment
Jack Arayro
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Alice Dufresne
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Tingtao Zhou
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Katerina Ioannidou
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Josef-Franz Ulm
Journal articles
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Magnetism as indirect tool for carbon content assessment in nickel nanoparticles
Y. Oumellal
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Y. Magnin
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A. Martínez de Yuso
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J. Aguiar Hualde
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H. Amara
Journal articles
hal-02465035v1
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From cellulose to kerogen: molecular simulation of a geological process
Lea Atmani
,
Christophe Bichara
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Roland J.-M. Pellenq
,
Henri van Damme
,
Adri van Duin
Journal articles
hal-01724050v1
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Nano-granular texture of cement hydrates
Katerina Ioannidou
,
Franz-Josef Ulm
,
Pierre Levitz
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Emanuela del Gado
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Roland J.-M. Pellenq
Journal articles
hal-02068350v1
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Molecular Modeling and Adsorption Properties of Ordered Silica-Templated CMK Mesoporous Carbons
Surendra Kumar Jain
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Roland J.-M. Pellenq
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Keith Gubbins
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Xuan Peng
Journal articles
hal-01783437v1
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Inhomogeneity in Cement Hydrates: Linking Local Packing to Local Pressure
Katerina Ioannidou
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Emanuela del Gado
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Franz-Josef Ulm
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Roland J.-M. Pellenq
Journal articles
hal-02068334v1
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cemff : A force field database for cementitious materials including validations, applications and opportunities
Ratan Mishra
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Aslam Kunhi Mohamed
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David Geissbühler
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Hegoi Manzano
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Tariq Jamil
Journal articles
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Mesoscale Poroelasticity of Heterogeneous Media
Siavash Monfared
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Hadrien Laubie
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Farhang Radjai
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Roland J. M. Pellenq
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Franz-Josef Ulm
Journal articles
hal-02095006v1
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Model representations of kerogen structures: An insight from density functional theory calculations and spectroscopic measurements
Philippe Weck
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Eunja Kim
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Yifeng Wang
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Jessica Kruichak
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Melissa Mills
Journal articles
hal-01720437v1
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Crystal-chemistry control of the mechanical properties of 2:1 clay minerals
Jérémie Berthonneau
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Christian G. Hoover
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O. Grauby
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Alain Baronnet
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Roland J.-M. Pellenq
Journal articles
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Stress Transmission and Failure in Disordered Porous Media
Hadrien Laubie
,
Farhang Radjai
,
Roland Pellenq
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Franz-Josef Ulm
Journal articles
hal-01720432v1
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The Potential of Mean Force concept for bridging (length and time) scales in the modeling of complex porous materials
Katerina Ioannidou
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Benoît Carrier
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Matthieu Vandamme
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Roland J. M. Pellenq
Journal articles
hal-02068342v1
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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
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Lucile A Dezerald
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Khaoula A Boukari
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Maxime A Lainé
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Sébastien A Taupin
Journal articles
cea-01543011v1
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A potential-of-mean-force approach for fracture mechanics of heterogeneous materials using the lattice element method
Hadrien Laubie
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Farhang Radjai
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Roland Pellenq
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Franz-Josef Ulm
Journal articles
hal-01720479v1
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Topological Control on the Structural Relaxation of Atomic Networks under Stress
Mathieu Bauchy
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Mengyi Wang
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Yingtian Yu
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Bu Wang
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N. m. Anoop Krishnan
Journal articles
hal-01782950v1
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Disorder-induced stiffness degradation of highly disordered porous materials
Hadrien Laubie
,
Siavash Monfared
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Farhang Radjai
,
Roland Pellenq
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Franz-Josef Ulm
Journal articles
hal-01720439v1
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Effective Potentials and Elastic Properties in the Lattice-Element Method: Isotropy and Transverse Isotropy
Hadrien Laubie
,
Siavash Monfared
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Farhang Radjai
,
Roland J. M. Pellenq
,
Franz-Josef Ulm
Journal articles
hal-02095033v1
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Role of Interfaces in Elasticity and Failure of Clay–Organic Nanocomposites: Toughening upon Interface Weakening?
György Hantal
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Laurent Brochard
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Roland J.-M. Pellenq
,
Franz-Joseph Ulm
,
Benoit Coasne
Journal articles
hal-01686205v1
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Mesoscale simulation of clay aggregate formation and mechanical properties
Davoud Ebrahimi
,
Roland J. -M. Pellenq
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Andrew J. Whittle
Journal articles
hal-01455004v1
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Mesoscale texture of cement hydrates
Katerina Ioannidou
,
Konrad J. Krakowiak
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Mathieu Bauchy
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Christian G. Hoover
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Enrico Masoero
Proceedings of the National Academy of Sciences of the United States of America, 2016, 113 (8), pp.2029-2034. ⟨10.1073/pnas.1520487113⟩
Journal articles
hal-01455017v1
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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
Journal articles
hal-01975527v1
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Free Volume Theory of Hydrocarbon Mixture Transport in Nanoporous Materials
Amaël Obliger
,
Roland J.-M. Pellenq
,
Franz-Josef Ulm
,
Benoit Coasne
Journal articles
hal-01454993v1
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Realistic molecular model of kerogen's nanostructure
Colin Bousige
,
Camelia Matei Ghimbeu
,
Cathie Vix-Guterl
,
Andrew E. Pomerantz
,
Assiya Suleimenova
Journal articles
hal-01455009v1
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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
Journal articles
hal-01672823v1
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Fracture toughness anomalies: Viewpoint of topological constraint theory
Mathieu Bauchy
,
Bu Wang
,
Mengyi Wang
,
Yingtian Yu
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Mohammad Javad Abdolhosseini Qomi
Journal articles
hal-01454996v1
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Optimized molecular reconstruction procedure combining hybrid reverse Monte Carlo and molecular dynamics
Colin Bousige
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Alexandru Boan
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Franz-Josef Ulm
,
J.-M Pellenq
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Benoit Coasne
Journal articles
hal-01610751v1
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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
Journal articles
hal-01274102v1
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Rigidity Transition in Materials: Hardness is Driven by Weak Atomic Constraints
M. Bauchy
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M.J.A. Qomi
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C. Bichara
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F.J. Ulm
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R.J-M. Pellenq
Physical Review Letters, 2015, 114, pp.125502
Journal articles
hal-01228667v1
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Subcontinuum mass transport of condensed hydrocarbons in nanoporous media
Kerstin Falk
,
Benoit Coasne
,
Roland Pellenq
,
Franz-Josef Ulm
,
Lydéric Bocquet
Journal articles
hal-02015075v1
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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
Journal articles
hal-02015074v1
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Effect of Chain Length and Pore Accessibility on Alkane Adsorption in Kerogen
Kerstin Falk
,
Roland Pellenq
,
Franz Josef Ulm
,
Benoit Coasne
Journal articles
hal-02015076v1
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Organic–Clay Interfacial Chemical Bonds Probed by ab Initio Calculations
Marie-Laure Bocquet
,
Benoit Coasne
,
Roland J. M. Pellenq
,
Franz-Joseph Ulm
Journal articles
hal-01896353v1
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Effect of temperature on adsorption of mixtures in porous materials
Kerstyn I. Falk
,
Roland J.-M. Pellenq
,
Benoit Coasne
Journal articles
hal-00941944v1
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|
Controlling local packing and growth in calcium–silicate–hydrate gels
Katerina Ioannidou
,
Roland J.-M. Pellenq
,
Emanuela del Gado
Journal articles
hal-02068332v1
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Atomic-scale modelling of elastic and failure properties of clays
G. Hantal
,
Laurent Brochard
,
H. Laubie
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E. Ebrahimi
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R-J-M. Pellenq
Molecular Physics, 2014, 112 (9-10), pp.1294-1305
Journal articles
hal-01021110v1
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Surface Chemistry and Atomic-Scale Reconstruction of Kerogen-Silica Composites
G. Hantal
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Laurent Brochard
,
M.N.D.S. Cordeiro
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F.J. Ulm
,
R.J.M. Pellenq
Journal of Physical Chemistry C, 2014, 118 (5), pp.2429-2438
Journal articles
hal-00975156v1
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Nano-scale mechanics of colloidal C-S-H gels
E. Masoero
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E. Delgado
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R.J.M. Pellenq
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S. Yip
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F.J. Ulm
Journal articles
hal-00975053v1
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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
Journal articles
hal-02068330v1
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Elastic properties of swelling clay particles at finite temperature upon hydration
Benoît Carrier
,
Matthieu Vandamme
,
Roland J.-M. Pellenq
,
Henri van Damme
Journal articles
hal-01118565v1
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Adsorption, intrusion and freezing in porous silica: the view from the nanoscale
Benoit Coasne
,
Anne Galarneau
,
Roland J. M. Pellenq
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Francesco Di Renzo
Journal articles
hal-00790061v1
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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
Journal articles
hal-00856240v1
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Molecular intermittent dynamics of interfacial water: probing adsorption and bulk confinement
P. Levitz
,
P. A. Bonnaud
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P. A. Cazade
,
R.J.M. Pellenq
,
Benoit Coasne
Journal articles
hal-00870195v1
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ESEM study of the humidity-induced swelling of clay film
Benoît Carrier
,
L. Wang
,
Matthieu Vandamme
,
R.J.-M. Pellenq
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Michel Bornert
Journal articles
hal-00946090v1
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Nanostructure and Nanomechanics of Cement: Polydisperse Colloidal Packing
E. Masoero
,
E. del Gado
,
R.J.M. Pellenq
,
F.J. Ulm
,
S. Yip
Journal articles
hal-00773481v1
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Structure and properties of nanoscale materials: theory and atomistic computer simulation
C. Bichara
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P. Marsal
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C. Mottet
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R. Pellenq
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F. Ribeiro
Journal articles
hal-00697530v1
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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
Journal articles
hal-00691799v1
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|
Solvated calcium ions in charged silica nanopores
Patrick Bonnaud
,
Benoit Coasne
,
Roland Pellenq
Journal articles
hal-00746062v1
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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
Journal articles
hal-00691798v1
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|
Set in stone? A perspective on the concrete sustainability challenge
K. van Vliet
,
R. Pellenq
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M.J. Buehler
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J.C. Grossman
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H. Jennings
MRS Bulletin, 2012, 37 (4), pp.395
Journal articles
hal-00724323v1
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Thermodynamics of Water Confined in Porous Calcium-Silicate-Hydrates
P. A. Bonnaud
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Q. Ji
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Benoit Coasne
,
R. J.-M. Pellenq
,
K. J. van Vliet
Journal articles
hal-00746067v1
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An atomistic modelling of the porosity impact on UO(2) matrix macroscopic properties
A. Jelea
,
M. Colbert
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F. Ribeiro
,
G. Tréglia
,
R.J.M. Pellenq
Journal articles
hal-00696841v1
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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
Journal articles
hal-00695996v1
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Molecular simulation of water confined in nanoporous silica
P. A. Bonnaud
,
Benoit Coasne
,
R. J. M. Pellenq
Journal articles
hal-00526002v1
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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
Journal articles
hal-00476533v1
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|
Molecular Simulation of Nitrogen Adsorption in Nanoporous Silica
Benoit Coasne
,
Anne Galarneau
,
Francesco Di Renzo
,
Roland J. M. Pellenq
Journal articles
hal-00515102v1
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|
A realistic molecular model of cement hydrates
R.J.-M. Pellenq
,
A. Kushima
,
R. Shahsavari
,
K.J. van Vliet
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M.J. Buehler
Proceedings of the National Academy of Sciences of the United States of America, 2009, 106 (38), pp.16102-16107. ⟨10.1073/pnas.0902180106⟩
Journal articles
hal-00447710v1
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Zinc Oxide Nanostructures Confined in Porous Silicas
Benoit Coasne
,
Aude Mezy
,
R. J. M. Pellenq
,
D. Ravot
,
Jean-Claude Tedenac
Journal articles
hal-00362369v1
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|
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
Journal articles
hal-00447709v1
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|
Intrusion and Retraction of Fluids in Nanopores: Effect of Morphological Heterogeneity
Benoit Coasne
,
Anne Galarneau
,
Francesco Di Renzo
,
Roland J. M. Pellenq
Journal articles
hal-00358633v1
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|
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
Journal of Chemical Physics, 2009, 130 (17), pp.174717
Journal articles
hal-00413543v1
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|
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
Journal articles
hal-00386928v1
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|
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
Journal articles
hal-00447708v1
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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
Journal articles
hal-00362362v1
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|
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
Journal articles
hal-00475810v1
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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
Journal articles
hal-00303810v1
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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
Journal articles
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
Journal articles
hal-00303812v1
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Molecular simulation of adsorption and intrusion in nanopores
Benoit Coasne
,
Anne Galarneau
,
Francesco Di Renzo
,
Roland J. M. Pellenq
Journal articles
hal-00277306v1
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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
Journal of Chemical Physics, 2008, 129 (22), pp.224701
Journal articles
hal-00386927v1
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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
Journal articles
hal-00303811v1
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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
Journal articles
hal-00475811v1
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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
Journal articles
hal-00386926v1
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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
Journal articles
hal-00175324v1
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Engineering the bonding scheme in C-S-H : The iono-covalent framework
R.J.-M. Pellenq
,
Nicolas Lequeux
,
Henri van Damme
Journal articles
hal-00265858v1
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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
Journal articles
hal-00386854v1
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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
Journal articles
hal-00386856v1
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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
Journal of Physical Chemistry C, 2007, 111, pp.15863
Journal articles
hal-00386857v1
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Effect of Morphological Defects on Gas Adsorption in Nanoporous Silicas
Benoit Coasne
,
Anne Galarneau
,
Francesco Di Renzo
,
Roland J. M. Pellenq
Journal articles
hal-00182182v1
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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
Journal articles
hal-00186789v1
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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
Journal articles
hal-00183122v1
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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
Journal of Physics and Chemistry of Solids, 2006, 67, n° 5-6, pp.1122-1126
Journal articles
hal-00111120v1
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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
Journal articles
hal-00177436v1
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Atomistic Simulation and Theory of Nanoporous Carbons and Nanostructures
Roland J-M Pellenq
Journal articles
hal-00514998v1
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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
Journal articles
hal-00023672v1
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Domain theory for capillary condensation hysteresis
Benoit Coasne
,
K. E. Gubbins
,
R. J. M. Pellenq
Journal articles
hal-00381741v1
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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
Journal articles
hal-00015253v1
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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
Journal articles
hal-00015248v1
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Ab initio calculations on hydrogen storage in porous carbons
O. Maresca
,
F. Marinelli
,
R.J.M. Pellenq
,
L. Duclaux
,
P. Azais
Annales de Chimie - Science des Matériaux, 2005, 30, n° 4, pp.385-391
Journal articles
hal-00015254v1
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An experimental and mesoscopic lattice simulation study of styrene-butadiene latex-cement composites properties
Olivier Rozenbaum
,
R.J.M. Pellenq
,
Henri van Damme
Journal articles
hal-00112580v1
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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
Journal articles
hal-00015243v1
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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
Journal articles
hal-02115456v1
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