Publications

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E
Shahsavari R, Pellenq RJean-Marc, Ulm F-J.  2010.  Empirical force fields for complex hydrated calcio-silicate layered materials. Phys. Chem. Chem. Phys.. 13(3):1002-1011.
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.
Laubie H, Monfared S, Radjaï F, Pellenq RJean-Marc, Ulm F-J.  2017.  Effective Potentials and Elastic Properties in the Lattice-Element Method: Isotropy and Transverse Isotropy. Journal of Nanomechanics and Micromechanics. 7(3):ArticleNumber:UNSP04017007.
Carrier B, Vandamme M, Pellenq RJean-Marc, Bornert M, Ferrage E, Hubert F, Van Damme H.  2016.  Effect of Water on Elastic and Creep Properties of Self-Standing Clay Films. Langmuir. 32(5):1370-1379.
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.
Ebrahimi D, Whittle AJ, Pellenq RJean-Marc.  2016.  Effect of Polydispersity of Clay Platelets on the Aggregation And Mechanical Properties of Clay at the Mesoscale. Clays and Clay Minerals. 64(4 Special Issue: SI):425-437.
Taiebat M, Mutabaruka P, Pellenq RJean-Marc, Radjaï F.  2017.  Effect of particle size distribution on 3D packings of spherical particles. EPJ Web of Conferences. 140:ArticleNumber02030.
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.
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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.
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.
Laubie H, Monfared S, Radjaï F, Pellenq RJean-Marc, Ulm F-J.  2017.  Disorder-induced stiffness degradation of highly disordered porous materials. Journal of the Mechanics and Physics of Solids. 106
Qomi M J A, Noshadravan A, Sobstyl JM, Toole J, Ferreira J, Pellenq RJean-Marc, Ulm F-J, Gonzalez MC.  2016.  Data analytics for simplifying thermal efficiency planning in cities. Journal of The Royal Society Interface. 13(117):ArticleNumber:20150971.
C
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.
Berthonneau J, Hoover CG, Grauby O, Baronnet A, Pellenq RJean-Marc, Ulm F-J.  2017.  Crystal-chemistry control of the mechanical properties of 2:1 clay minerals. Applied Clay Science. 143:387-398.
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.
Bauchy M, Masoero E, Ulm F-J, Pellenq RJean-Marc.  2015.  Creep of Bulk C-S-H: Insights from Molecular Dynamics Simulations. 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 :511-516.
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.
Manzano H, Moeini S, Marinelli F, Van Duin ACT, Ulm F-J, Pellenq RJean-Marc.  2012.  Confined water dissociation in microporous defective silicates: Mechanism, dipole distribution, and impact on substrate properties. Journal of the American Chemical Society. 134(4):2208–2215.
Ji Q, Pellenq RJean-Marc, Van Vliet KJ.  2012.  Comparison of computational water models for simulation of calcium-silicate-hydrate. Computational Materials Science. 53(1):234-240.
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.
Contreras RJaimes, Berger N, Izard E, Douce J-F, Koltsov A, Delenne J-Y, Azéma E, Nezamabadi S, van Loo F, Pellenq RJean-Marc et al..  2017.  Cohesive strength of iron ore granules. EPJ Web of Conferences. 140(10141146):ArticleNumber08020.
Dezerald L, Kohanoff JJ, Correa AA, Caro A, Pellenq RJean-Marc, Ulm F-J, Saùl A.  2016.  Cement As a Waste Form for Nuclear Fission Products: The Case of 90Sr and Its Daughters. Environmental Science & Technology. 49(22):13676-13683.
Dezerald L, Kohanoff JJ, Correa AA, Caro A, Pellenq RJean-Marc, Ulm F-J, Saùl A.  2015.  Cement As a Waste Form for Nuclear Fission Products: The Case of 90 Sr and Its Daughters. Environ Sci Technol. 49(22):13676-83.
Bauchy M, Qomi M J A, Pellenq RJean-Marc, Ulm F-J.  2015.  Is cement a glassy material? Euro-C Conference. COMPUTATIONAL MODELLING OF CONCRETE STRUCTURES, VOL 1:169-176.
Brochard L, Hantal G, Laubie H, Ulm F-J, Pellenq RJean-Marc, Coasne BA.  2015.  Capturing material toughness by molecular simulation: accounting for large yielding effects and limits. International Journal of Fracture. 194(2):149-167.

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