Roland Pellenq

Axe

Théorie et Simulation Numérique

E-mail

pellenq@cinam.univ-mrs.fr

Phone

+33(0)6 62 92 28 33

Fax

+33(0)4 91 41 89 16

Localisation

R3

Grade

DR2

Fonction

chercheur

pellenq.jpg

Thèmes

- Statistical Mechanics in Condensed Matter Physics - Ab initio quantum methods in Material Science for the determination of interatomic potentials - Thermodynamics of confined molecular (rare gases, water, hydrogen,...) and covalent fluids (selenium, carbon,...) in porous materials (zeolites, microporous carbons, mesoporous MCM41, SBA, Vycor materials, cement) using atomistic simulation techniques (Monte-Carlo, lattice and density functional theories) with an effort toward integrating realistic adsorption intermolecular potentials and texture description of disordered porous materials. - Stability and mechanical properties of layered inorganic materials from atomistic simulation techniques (Molecular Dynamics, free energy minimization) with a particular interest to Tobermorite (a model coumpound for cement at the nanometric scale) and serpentines (minerals that are involved in subduction-triggered earth-quakes.

Parcours

{[EDUCATION]}

    -* 1995-1993 : post-doctoral researcher at the Physical Chemistry Laboratory, University of Paris-Sud at Orsay, with Professor Alain Fuchs (grant from the French Institute for Petrol Research) : "Molecular simulation studies of xenon, methane and xylene isomers adsorption in NaY zeolite" -* 1993-1990 : Ph.D. at Imperial College, London (UK) under the guidance of Professor David Nicholson (European Union Commission grant) : "Theory and Grand Canonical Monte-Carlo simulation of physical adsorption of simple molecules in zeolite Silicalite-1" -* 1990-1989 : Master "Radiations and Plasma Physics", University of Provence, Marseille, research student at the Laboratoire de Physique des Interactions Ioniques et Moléculaires (PIIM) under the guidance of Professors Pascale Roubin and Jean Pourcin : "FTIR evidence of a tunnel-induced internal rotation of ethane trapped in a rare gas matrix"
{[CAREER / POSITIONS]} {{{Positions :}}}
    -* 1995 : Appointed as a "CNRS Chargé de Recherche", Centre de Recherche sur la Matière Divisée, CNRS-Université d'Orléans, France. -* 2000 : Habilitation, Université d'Orléans. Qualified for professorship -* 2003 : "CNRS Chargé de Recherche", Centre de Recherche en Matière Condensée et Nanosciences, CNRS, Marseille. -* 2007 : "CNRS Directeur de Recherche", Centre de Recherche en Matière Condensée et Nanosciences, CNRS, Marseille.
{{{Responsabilities :}}}
    -* Since 2005 : Member of the recruitment comittee in condensed Matter Physics, Université de la Méditerranée. -* Since 2005 : Member of the admnistration council of the "Pôle de Compétitivité : Energies non génératrice de gaz à effet de serre". -* 2000-2003 : Head of the Complex fluids and porous materials Group, Centre de Recherche sur la Matière Divisée, CNRS-Orléans.
{{{Distinctions :}}}
    -* 2003 : Young Researcher Award at the Festival of Sciences and Technologies. -* 2002 : Young Reseacher Award of the French Physical Chemistry Society. -* 1993 : Post-Graduate Bonus (Imperial College, London)
{[TEACHING DUTIES]} {{{at Marseille University :}}}
    -* since 2003 : Statistical Mechanics and Computer Simulation,2nd year Master of Phyics
{{{at Ecole Polytechnique, Palaiseau}}}
    -* Since 1998 : Lecture of "Adsorption, Condensation and Intrusion Phenomena", college of Ecole Polytechnique -* college de Polytechnique Since 2006 : Lecture of "Atomistic Simulation Methods", 2nd year Master Science of building Materials

Publications

2020

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, Adri van Duin, Franz Ulm, Jean-Marc Leyssale

Energy and Fuels 34:1537-1547 (2020)10.1021/acs.energyfuels.9b03681

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)10.1088/2515-7639/ab5ce9

Heterogeneous Surface Growth and Gelation of Cement Hydrates

Abhay Goyal, Katerina Ioannidou, Christopher Tiede, Pierre Levitz, Roland J.-M. Pellenq, Emanuela del Gado

Journal of Physical Chemistry C 124:15500-15510 (2020)10.1021/acs.jpcc.0c02944

Morphology control of metallic nanoparticles supported on carbon substrates in catalytic conditions

Yann Magnin, Emmanuel Villermaux, Hakim Amara, Christophe Bichara, Roland Pellenq

Carbon 159:504-511 (2020)10.1016/j.carbon.2019.12.025

2019

Molecular simulation of silica gels: Formation, dilution, and drying

Romain Dupuis, Laurent Karim Beland, Roland J.-M. Pellenq

Physical Review Materials 3 (2019)10.1103/PhysRevMaterials.3.075603

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 100 (2019)10.1103/PhysRevE.100.042906

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 123:5635-5640 (2019)10.1021/acs.jpcb.9b03266

Agglomeration of wet particles in dense granular flows

Thanh Trung Vo, Saeid Nezamabadi, Patrick Mutabaruka, Jean-Yves Delenne, Edouard Izard, Roland Pellenq, Farhang Radjai

European Physical Journal E: Soft matter and biological physics 42:127 (2019)10.1140/epje/i2019-11892-9

Capillary Stress and Structural Relaxation in Moist Granular Materials

Tingtao Zhou, Katerina Ioannidou, Enrico Masoero, Mohammad Mirzadeh, Roland J.-M. Pellenq, Martin Bazant

Langmuir (2019)10.1021/acs.langmuir.8b03400

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 116:10652-10657 (2019)10.1073/pnas.1901160116

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 117:3445-3455 (2019)10.1080/00268976.2019.1660817

2018

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 112:334-344 (2018)10.1016/j.jmps.2017.12.012

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

Jack Arayro, Alice Dufresne, Tingtao Zhou, Katerina Ioannidou, Josef-Franz Ulm, Roland Pellenq, Laurent Karim Beland

Physical Review Materials 2 (2018)10.1103/PhysRevMaterials.2.053608

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

Jérémie Berthonneau, Amaël Obliger, Pierre-Louis Valdenaire, Olivier Grauby, Daniel Ferry, Damien Chaudanson, Pierre Levitz, Jae Jin Kim, Franz-Josef Ulm, Roland J.-M. Pellenq

Proceedings of the National Academy of Sciences of the United States of America 115:12365-12370 (2018)10.1073/pnas.1808402115

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

Alice Dufresne, Jack Arayro, Tingtao Zhou, Katerina Ioannidou, Franz-Josef Ulm, Roland Pellenq, Laurent Karim Beland

Journal of Chemical Physics 149:074705 (2018)10.1063/1.5042755

Impact of Nanoporosity on Hydrocarbon Transport in Shales’ Organic Matter

Amaël Obliger, Franz-Josef Ulm, Roland Pellenq

Nano Letters 18:832-837 (2018)10.1021/acs.nanolett.7b04079

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

Amaël Obliger, Pierre-Louis Valdenaire, Nicolas Capit, Franz Ulm, Roland J.-M. Pellenq, Jean-Marc Leyssale

Langmuir 34:13766-13780 (2018)10.1021/acs.langmuir.8b02534

Mechanical strength of wet particle agglomerates

Thanh-Trung Vo, Patrick Mutabaruka, Saeid Nezamabadi, Jean-Yves Delenne, Edouard Izard, Roland Pellenq, Farhang Radjai

Mechanics Research Communications 92:1-7 (2018)10.1016/j.mechrescom.2018.07.003

2017

Topological Control on the Structural Relaxation of Atomic Networks under Stress

Mathieu Bauchy, Mengyi Wang, Yingtian Yu, Bu Wang, N. m. Anoop Krishnan, Enrico Masoero, Franz-Joseph Ulm, Roland Pellenq

Physical Review Letters 119 (2017)10.1103/PhysRevLett.119.035502

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 7:04017003 (2017)10.1061/(ASCE)NM.2153-5477.0000120

Nano-granular texture of cement hydrates

Katerina Ioannidou, Franz-Josef Ulm, Pierre Levitz, Emanuela del Gado, Roland J.-M. Pellenq

EPJ Web of Conferences 140:15027 (2017)10.1051/epjconf/201714015027

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 Pellenq

EPJ Web of Conferences 140:01009 (2017)10.1051/epjconf/201714001009

Effective Potentials and Elastic Properties in the Lattice-Element Method: Isotropy and Transverse Isotropy

Hadrien Laubie, Siavash Monfared, Farhang Radjai, Roland Pellenq, Franz-Josef Ulm

Journal of Nanomechanics and Micromechanics 7:04017007 (2017)10.1061/(ASCE)NM.2153-5477.0000125

Stress Transmission and Failure in Disordered Porous Media

Hadrien Laubie, Farhang Radjai, Roland Pellenq, Franz-Josef Ulm

Physical Review Letters 119:075501 (2017)10.1103/PhysRevLett.119.075501

Production of H2 by water radiolysis in cement paste under electron irradiation: A joint experimental and theoretical study

Sophie Le Caër, Lucile Dezerald, Khaoula Boukari, Maxime Lainé, Sébastien Taupin, Ryan M. Kavanagh, Conrad S.N. Johnston, Eddy Foy, Thibault Charpentier, Konrad J. Krakowiak, Roland J.-M Pellenq, Franz J. Ulm, Gareth A. Tribello, Jorge Kohanoff, Andres Saúl

Cement and Concrete Research 100:110-118 (2017)10.1016/j.cemconres.2017.05.022

Mesoscale Poroelasticity of Heterogeneous Media

Siavash Monfared, Hadrien Laubie, Farhang Radjai, Roland Pellenq, Franz-Josef Ulm

Journal of Nanomechanics and Micromechanics 7:04017016 (2017)10.1061/(ASCE)NM.2153-5477.0000136

Magnetism as indirect tool for carbon content assessment in nickel nanoparticles

Y. Oumellal, Y. Magnin, A. Martínez de Yuso, J.M. Aguiar Hualde, H. Amara, V. Paul-Boncour, C. Matei Ghimbeu, A. Malouche, C. Bichara, R. Pellenq, C. Zlotea

Journal of Applied Physics 122 (2017)10.1063/1.5006138

Magnetism as indirect tool for carbon content assessment in nickel nanoparticles

Y. Oumellal, Y. Magnin, A. Martínez de Yuso, J. Aguiar Hualde, H. Amara, V. Paul-Boncour, C. Matei Ghimbeu, A. Malouche, C. Bichara, R. Pellenq, C. Zlotea

Journal of Applied Physics 122:213902 (2017)10.1063/1.5006138

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, Edward Matteo, Roland J.-M. Pellenq

Scientific Reports 7 (2017)10.1038/s41598-017-07310-9