Publications

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2015
Carrier B, Vandamme M, Pellenq RJean-Marc, Van Damme H.  2015.  Creep of Clay: Numerical Results at the Scale of a Layer and Experimental Results at the Scale of Thin Self-Standing Films. 10th International Conference on Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete StructuresCONCREEP 10. CONCREEP 10: MECHANICS AND PHYSICS OF CREEP, SHRINKAGE, AND DURABILITY OF CONCRETE AND CONCRETE STRUCTURES :531-536.
Qomi M J A, Masoero E, Bauchy M, Ulm F-J, Del Gado E, Pellenq RJean-Marc.  2015.  C-S-H across Length Scales: From Nano to Micron. 10th International Conference on Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete StructuresCONCREEP 10. CONCREEP 10: MECHANICS AND PHYSICS OF CREEP, SHRINKAGE, AND DURABILITY OF CONCRETE AND CONCRETE STRUCTURES :39-48.
Falk KI, Pellenq RJean-Marc, Ulm F-J, Coasne BA.  2015.  Effect of Chain Length and Pore Accessibility on Alkane Adsorption in Kerogen. Energy & Fuels. 29(12):7889-7896.
Bauchy M, Laubie H, Qomi M J A, Hoover CG, Ulm F-J, Pellenq RJean-Marc.  2015.  Fracture toughness of calcium–silicate–hydrate from molecular dynamics simulations. Journal of Non-Crystalline Solids. 419:58-64.
Ioannidou K, Masoero E, Levitz PE, Pellenq RJean-Marc, Del Gado E.  2015.  Hydration Kinetics and Gel Morphology of C-S-H. 10th International Conference on Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete StructuresCONCREEP 10. CONCREEP 10: MECHANICS AND PHYSICS OF CREEP, SHRINKAGE, AND DURABILITY OF CONCRETE AND CONCRETE STRUCTURES:565-573.
Masoero E, Bauchy M, Del Gado E, Manzano H, Pellenq RJean-Marc, Ulm F-J, Yip S.  2015.  Kinetic Simulations of Cement Creep: Mechanisms from Shear Deformations of Glasses. 10th International Conference on Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete StructuresCONCREEP 10. CONCREEP 10: MECHANICS AND PHYSICS OF CREEP, SHRINKAGE, AND DURABILITY OF CONCRETE AND CONCRETE STRUCTURES:555-564.
Del Gado E, Ioannidou K, Masoero E, Pellenq RJean-Marc, Ulm F-J, Yip S.  2015.  The Meso-Scale Texture of Cement Hydrate Gels: Out-of-Equilibrium Evolution and Thermodynamic Driving. 10th International Conference on Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures CONCREEP 10. CONCREEP 10: MECHANICS AND PHYSICS OF CREEP, SHRINKAGE, AND DURABILITY OF CONCRETE AND CONCRETE STRUCTURES:34-38.
Bousige C, Botan A, Ulm F-J, Pellenq RJean-Marc, Coasne BA.  2015.  Optimized molecular reconstruction procedure combining hybrid reverse Monte Carlo and molecular dynamics. The Journal of Chemical Physics. 142(11):ArticleNumber:114112.
Bocquet M-L, Coasne BA, Pellenq RJean-Marc, Ulm F-J.  2015.  Organic–Clay Interfacial Chemical Bonds Probed by ab Initio Calculations. The Journal of Physical Chemistry C. 119(12):6511-6517.
Qomi M J A, Ulm F-J, Pellenq RJean-Marc.  2015.  Physical Origins of Thermal Properties of Cement Paste. Physical Review Applied. 3(6):ArticleNumber:064010.
Bauchy M, Qomi M J A, Bichara C, Ulm F-J, Pellenq RJean-Marc.  2015.  Rigidity transition in materials: hardness is driven by weak atomic constraints.. Phys Rev Lett. 114(12):ArticleNumber:125502.
Ulm F-J, Pellenq RJean-Marc.  2015.  Shrinkage Due to Colloidal Force Interactions. 10th International Conference on Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures CONCREEP 10. CONCREEP 10: MECHANICS AND PHYSICS OF CREEP, SHRINKAGE, AND DURABILITY OF CONCRETE AND CONCRETE STRUCTURES:13-16.
Falk KI, Coasne BA, Pellenq RJean-Marc, Ulm F-J, Bocquet L.  2015.  Subcontinuum mass transport of condensed hydrocarbons in nanoporous media.. Nat Commun. 6:ArticleNumber:6949.
2014
Qomi M J A, Bauchy M, Ulm F-J, Pellenq RJean-Marc.  2014.  Anomalous composition-dependent dynamics of nanoconfined water in the interlayer of disordered calcium-silicates. Journal of Chemical Physics. 140(5):ArticleNumber:054515.
Hantal G, Brochard L, Laubie H, Ebrahimi D, Pellenq RJean-Marc, Ulm F-J, Coasne BA.  2014.  Atomic-scale modelling of elastic and failure properties of clays. Molecular Physics. 112(9-10):1294-1305.
Jelea A, Pellenq RJean-Marc, Ribeiro F..  2014.  An atomistic modeling of the xenon bubble behavior in the UO2 matrix. Journal of Nuclear Materials. 444(1-3):153–160.
Qomi M J A, Krakowiak KJ, Bauchy M, Stewart K.L., Shahsavari R, Jagannathan D., Brommer D.B., Baronnet A, Buehler MJ, Yip S et al..  2014.  Combinatorial molecular optimization of cement hydrates. Nat Commun. 5:ArticleNumber:4960.
Ioannidou K, Pellenq RJean-Marc, Del Gado E.  2014.  Controlling local packing and growth in calcium-silicate-hydrate gels. Soft Matter. 10(8):1121-1133.
Youssef M, Pellenq RJean-Marc, Yildiz B.  2014.  Docking 90 Sr radionuclide in cement: An atomistic modeling study. Physics and Chemistry of the Earth, Parts A/B/C. 70–71:39–44.
Youssef M, Pellenq RJean-Marc, Yildiz B.  2014.  Docking Sr-90 radionuclide in cement: An atomistic modeling study. Physics and Chemistry of the Earth. 70-71:39-44.
Falk KI, Coasne BA, Pellenq RJean-Marc.  2014.  Effect of temperature on adsorption of mixtures in porous materials. Molecular Simulation. 40(1-3 Special Issue: SI):45-51.
Carrier B, Vandamme M, Pellenq RJean-Marc, Van Damme H.  2014.  Elastic Properties of Swelling Clay Particles at Finite Temperature upon Hydration. Journal of Physical Chemistry C. 118(17):8933-8943.
Ebrahimi D, Whittle AJ, Pellenq RJean-Marc.  2014.  Mesoscale properties of clay aggregates from potential of mean force representation of interactions between nanoplatelets. Journal of Chemical Physics . 140(15):ArticleNumber:154309.
Ebrahimi D, Pellenq RJean-Marc, Whittle AJ.  2014.  Mesoscale simulation of clay aggregate formation and mechanical properties. 3rd International Symposium on Geomechanics from Micro to Macro. Geomechanics from Micro to Macro: Granular Matter(3):539-544.
Masoero E, Jennings HM, Ulm F-J, Del Gado E, Manzano H, Pellenq RJean-Marc, Yip S.  2014.  Modelling cement at fundamental scales: From atoms to engineering strength and durability. Euro-C Conference. COMPUTATIONAL MODELLING OF CONCRETE STRUCTURES, VOL 1:139-148.

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