Articles in international peer-reviewed journals

Here is a list of publications in international peer-reviewed journals co-authored by PhD students or post-doc researchers fully or partially funded by Labex MMCD (published or accepted as of June 30th, 2018)


  1. B. Le Droumaguet, R. Lacombe, H.B. Ly, B. Carbonnier, D. Grande, (2014), Novel Polymeric Materials with Double Porosity: Synthesis and Characterization, Macromolecular Symposia, 304, 18-27.
  2. B. Le Droumaguet, R. Lacombe, H.B. Ly, M. Guerrouache, B. Carbonnier, D. Grande, (2014), Engineering functional doubly porous PHEMA-based materials, Polymer, 55, 373-379.
  3. Prakash, M., Chambaud, G., Mogren Al-Mogren, M., and Hochlaf, M. (2014), Role of size and shape selectivity in interaction between gold nanoclusters and imidazole: a theoretical study, J. Mol. Mod. 20, 2534.
  4. Prakash, M., Mathivon, K., Benoit, D. M., Chambaud, G., and Hochlaf, M. (2014), Carbon dioxide interaction with isolated imidazole or attached on gold clusters and surface: competition between  H-bond and  stacking interaction, Phys. Chem. Chem. Phys. 16, 12503.
  5. Senent, M. L., Puzzarini, C., Hochlaf., M., Domínguez-Gómez, R., and Carvajal, M. (2014). Theoretical spectroscopic characterization at low temperatures of S-methyl thioformate and O-methyl thioformate. J. Chem. Phys. 141, 104303


  1. E. Bernard, C. Houriez, A. Mitrushchenkov, M. Guitou and G. Chambaud, (2015) Spectroscopy of H2 physisorbed on a Cu(100) surface, Journal of Chemical Physics, 142(5), 054703, DOI: 10.1063/1.4907013
  2. Bourgeois, N., Crivello, J. C., Saengdeejing, A., Chen, Y., Cenedese, P., and Joubert, J. M. (2015) Thermodynamic Modeling of the Ni–H System. The Journal of Physical Chemistry C, 119, 24546-24557.
  3. Boussouf, K., Boulmene, R., Prakash, M., Komiha, N., Taleb, M., Mogren Al-Mogren, M., and M. Hochlaf, (2015), Characterization of the Znq+-imidazole (q = 0, 1, 2) organometallic complexes: DFTs vs. standard and explicitly correlated post Hartree-Fock methods, Phys. Chem. Chem. Phys. 17, 14417.
  4. Boussouf, K., Khairat, T., Prakash, M., Komiha, N., Chambaud, G., and Hochlaf, M., (2015), Structure, Spectroscopy and Bonding within the Znq+-Imidazolen (q = 0, 1, 2; n = 1 – 4) Clusters and Implications for ZIFs and Zn-Enzymes, J. Phys. Chem. A 119, 11928.
  5. Crivello, J. C., Souques, R., Breidi, A., Bourgeois, N. and Joubert, J. M. (2015) ZenGen, a tool to generate ordered configurations for systematic first-principles calculations: The Cr–Mo–Ni–Re system as a case study. Calphad, 51, 233-240.
  6. Dalbouha, S., Prakash, M., Timón, V., Komiha, N., Hochlaf, M., and Senent, M. L., (2015), Explicitly correlated interaction potential energy profile of Imidazole+CO2 complex, Theo. Chem. Acc. 134, 63.
  7. B. Laborie, F. Rouyer, D. E. Angelescu, and E. Lorenceau (2015)  Bubble Formation in Yield Stress Fluids Using Flow-Focusing and T-Junction Devices, Physical Review Letters, 114(20), 204501
  8. Legoll, F., and Minvielle, W., (2015), A control variate approach based on a defect-type theory for variance reduction in stochastic homogenization, SIAM Multiscale Modeling and Simulation, 13 (2), 519-550 (HAL preprint 01053459).
  9. Legoll, F., and Minvielle, W., (2015), Variance reduction using antithetic variables for a nonlinear convex stochastic homogenization problem, Discrete and Continuous Dynamical Systems – S, 8 (1), 1-27 (HAL preprint 00784187).
  10. Legoll, F., Minvielle, W., Obliger, A. and Simon, M., (2015), A parameter identification problem in stochastic homogenization, ESAIM Proceedings, 48, 190-214 (HAL preprint 00942730).
  11. H.B. Ly, B. Le Droumaguet, V. Monchiet, D. Grande, (2015), Designing and modeling doubly porous polymeric materials, The European Physical Journal Special Topics, 224, 1689-1706.
  12. H.B. Ly, B. Le Droumaguet, V. Monchiet, D. Grande, (2015), Facile fabrication of doubly porous polymeric materials with controlled nano- and macro-porosity, Polymer, 78, 13-21.
  13. T.T. Nguyen, J. Yvonnet, Q.-Z. Zhu, M. Bornert C. Chateau, (2015) A phase field method to simulate crack nucleation and propagation in strongly heterogeneous materials from direct imaging of their microstructure, Engineering Fracture Mechanics, 139:18-39.
  14. Timon, V., Senent, M.L., Hochlaf, M., (2015), Structural single and multiple molecular adsorption of CO2 and H2O in zeolitic imidazolate framework (ZIF) crystals, Microporous and Mesoporous Materials, 218, 33-41


  1. Brochard, L., Tejada, I. G. and Sab, K. (2016), From yield to fracture, failure initiation captured by molecular simulation, Journal of the Mechanics and Physics of Solids, 95:632-646 DOI: 10.1016/j.jmps.2016.05.005.
  2. Gea Rodi, Erica; Mangeon, Carine; Dessauw, Etienne; Sansalone, Vittorio; Lemaire, Thibault; Renard, Estelle; Langlois, Valérie, (2016) Functionalization of Miscanthus by photo-activated thiol-ene addition to improve interfacial adhesion with polycaprolactone, ACS Sustainable Chemistry & Engineering, 2016, 4 (10), pp 5475–5482.
  3. Houanoh K., Yin, H.-P. and He, Q.-C. (2016) A simple numerical approach for solving the frictionless contact problem of elastic wavy surfaces. Meccanica (2016) 51:463–473
  4. Houanoh, Karim, Yin, Hai-Ping, Cesbron, Julien and He, Qi-Chang (2016), Influence of the in-plan distribution of asperities on the normal contact of periodically rough surfaces, Proceedings of the Institution of Mechanical Engineers, Part C: Journal of Mechanical Engineering Science, 230, 1382-1391.
  5. Laborie, B., Rouyer, F., Angelescu, D. E. and Lorenceau, E. (2016) On the stability of the production of bubbles in yield-stress fluid using flow-focusing and T-junction devices, Phys. Fluids 28, 063103.
  6. Laborie, B., Rouyer, F., Angelescu, D.E., Lorenceau, E. (2016) Yield-stress fluids foams: flow patterns and controlled production in T-junction and flow-focusing devices, Soft Matter, Volume 12, Issue 46, 2016, Pages 9355-9363
  7. Le Bris, C., Legoll, F., and Minvielle, W., (2016), Special Quasirandom Structures: a selection approach for stochastic homogenization, Monte Carlo Methods and Applications, 22 (1), 25-54. (HAL preprint 01194480).
  8. H.B. Ly, B. Le Droumaguet, V. Monchiet, D. Grande, (2016), Tailoring doubly porous poly(2-hydroxyethyl methacrylate)-based materials via thermally induced phase separation, Polymer, 86, 138-146.
  9. H.B. Ly, V. Monchiet, D. Grande, (2016), Computation of permeability with Fast Fourier Transform from 3-D digital images of porous microstructures, International Journal of Numerical Methods for Heat and Fluid Flow, 26, 1328-1345.
  10. H.B. Ly, R. Poupart, L. Halbardier, D. Grande, (2016), Functionalized doubly porous networks: from synthesis to application in heterogeneous catalysis, Macromolecular Symposia, 365, 40-48 (2016).
  11. H.B. Ly, L. Halbardier, D. Grande, (2016), Biporous crosslinked polymers with controlled pore size and connectivity, Macromolecular Symposia, 365, 49-58 (2016)
  12. Masson, Y., and Monasse, L., (2016), Existence of global Chebyshev nets on surfaces of absolute Gaussian curvature less than 2pi, Journal of Geometry, doi:10.1007/s00022-016-0319-1, hal-01233113
  13. T.T. Nguyen, J. Yvonnet, Q.-Z. Zhu, M. Bornert, C. Chateau (2016), A phase-field method for computational modeling of interfacial damage interacting with crack propagation in realistic microstructures obtained by microtomography, Computer Methods in Applied Mechanics and Engineering, accepted. doi:10.1016/j.cma.2015.10.007
  14. T.T. Nguyen, J. Yvonnet, Q.-Z. Zhu, M. Bornert, C. Chateau (2016), Initiation and propagation of complex 3D networks of cracks in heterogeneous quasi-brittle materials: direct comparison between in situ testing- microCT experiments and phase field simulations, Journal of the Mechanics and Physics of Solids, 95:320-350.
  15. T.T. Nguyen, J. Yvonnet, M. Bornert, C. Chateau, K. Sab, R. Romani, R. Le Roy (2016), On the choice of numerical parameters in the phase field method for simulating crack initiation with experimental validation, International Journal of Fracture, 197(2), 213-226.
  16. Salmi-Mani, H., Ait-Touchente, Z., Lamouri, A., Carbonnier, B., Caron, J.-F., Benzarti K., Chehimi, M. M., (2016) Diazonium salt-based photoiniferter as a new efficient pathway to clay-polymer nanocomposites, RCS Advances 2016, vol. 6 (91), Pages 88126-88134
  17. Shahrokhi, M., Léonard. C. (2016) Quasi-particle energies and optical excitations of wurtzite BeO and its nanosheet. Journal of Alloys and Compounds, 682 (15), pp.254-262.
  18. Tejada, I. G., Brochard, L., Lelièvre, T., Stoltz, G., Legoll, F., and Cancès, E., (2016) Coupling a reactive potential with a harmonic approximation for atomistic simulations of material failure, Computer Methods in Applied Mechanics and Engineering, 305, 422–440. hal-01196505
  19. Tran, V.P., Guilleminot, J., Brisard, S., Sab, K., (2016) Stochastic modeling of mesoscopic elasticity random field, Mechanics of Materials, 93, 1-12, hal-01226337
  20. Vo, V.-S., Mahouche-Chergui, S., Babinot, J., Nguyen, V.-H., Naili, S., (2016) Carbonnier, B., Photo-induced SI-ATRP for the synthesis of photoclickable intercalated clay nanofillers, RSC Advances, 6, 89322-89327


  1. Bahafid S., Ghabezloo S., Duc, M., Faure P., Sulem J. (2017) Effect of the hydration temperature on the microstructure of Class G cement: C-S-H composition and density, Cement and Concrete Research, doi 10.1016/j.cemconres.2017.02.008
  2. Bourgeois N., Crivello J.-C., Cenedese P/ and Joiubert J.-M., (2017) Systematic First-Principles Study of Binary Metal Hydrides, ACS Combinatorial Science, 19, 513−523
  3. Bracq, G., Laurent-Brocq, M., Perriere, L., Pires, R., Joubert, J.-M. and Guillot, I., (2017), The fcc solid solution stability in the Co-Cr-Fe-Mn-Ni multi-component system, Acta Materialia, 128, 327-336
  4. Feneuil, B., Pitois, O. and Roussel, N. (2017), Effect of surfactants on the yield stress of cement paste, Cement and Concrete Research, 100, 32–39
  5. Khalili, M.H., Brisard, S., Bornert, M., Aimedieu, P., Pereira, J.-M., Roux, J.-N. (2017), Discrete Digital Projections Correlation: a reconstruction-free method to quantify local kinematics in granular media by X-ray tomography, Experimental Mechanics, 57:6, 819-830, hal-01474701
  6. Khalili, M. H., Roux, J.-N., Pereira, J.-M., Brisard, S., Bornert, M. (2017), A numerical study of one-dimensional compression of granular materials: I. Stress-strain behavior, microstructure and irreversibility, Physical Review E, 95:032907,hal-01497636
  7. Khalili, M. H., Roux, J.-N., Pereira, J.-M., Brisard, S., Bornert, M. (2017), A numerical study of one-dimensional compression of granular materials: II. Elastic moduli, stresses and microstructure, Physical Review E, 95:032908, hal-01497638
  8. Laborie, B., Rouyer, F., Angelescu, D. E. and Lorenceau, E., Yield-stress fluid deposition in circular channels, Journal of Fluids Mechanics, vol 818, pp 838-851
  9. Ly H.B. , Poupart R., Carbonnier B., Monchiet V., Le Droumaguet B., Grande , D. (2017), Versatile functionalization platform of biporous poly(2-hydroxyethyl methacrylate)-based materials: Application in heterogeneous supported catalysis, Reactive and Functional Polymers, 121, pp 91–100
  10. Mangeon C., Samain X., Rodi E.G., Dessauw E., Sansalone V., Lemaire T., Renard E., Langlois V. (2017) Effet de la modification chimique des fibres végétales sur les propriétés des biocomposites biosourcés. Revue des composites et des matériaux avancés, 27 (1-2), 11-30.
  11. Nassar, H., Lebée, A. and Monasse, L. (2017), Curvature, metric and parametrization of origami tessellations: Theory and application to the eggbox pattern, Proceedings of the Royal Society A, 473: 2197, doi:10.1098/rspa.2016.0705, hal-01368009.
  12. Nguyen T.T., Yvonnet J., Bornert M., Chateau C., Bilteryst F. and Steib E. (2017) Large-scale simulations of quasi-brittle microcracking in realistic highly heterogeneous microstructures obtained from micro CT imaging, Extreme Mechanics Letters, 17 50–55
  13. Robin C., Lorthioir C, Amiel C., Fall A., Ovarlez G. Le Cœur C., (2017) Unexpected Rheological Behavior of Concentrated Poly(methacrylic acid) Aqueous Solutions, Macromolecules, 50 (2), pp 700–710
  14. Shahrokhi M. and Leonard C. (2017) Tuning the band gap and optical spectra of silicon-doped graphene: Many-body effects and excitonic states. Journal of Alloys and Compounds, 693 1185-1196
  15. Vo V.S., Nguyen V.H., Mahouche-Chergui S., Carbonnier B., Di Tommaso D., Naili S. (2017) From atomistic structure to thermodynamics and mechanical properties of epoxy/clay nanocomposites: Investigation by molecular dynamics simulations, Computational Materials Science, 139, 191–201
  16. Xia L., Yvonnet J. and Ghabezloo S. (2017) Phase field modeling of hydraulic fracturing with interfacial damage in highly heterogeneous fluid-saturated porous media, Engineering Fracture Mechanics, 186, pp 158–180, hal-01614404
  17. Zhang X., Lorenceau E., Basset P., Bourouina T., Rouyer F., Goyon J. and Coussot P. (2017) Wall slip of soft-jammed systems: a generic simple shear process, Physical Review Letters, 119, 208004


  1. Bahafid S., Ghabezloo S, Faure P, Duc M. and Sulem J (2018) Effect of the hydration temperature on the pore structure of cement paste: Experimental investigation and micromechanical modelling, Cement and Concrete Research, doi: 10.1016/j.cemconres.2018.06.014, A2
  2. Bourgeois, N., Crivello, J.-C., Cenedese, P., Paul-Boncour Valérie and Joubert, J. M. (2018) Vibration analysis of hydrogen, deuterium and tritium in metals: consequences on the isotope effect. Journal of Physics: Condensed Matter, doi: 10.1088/1361-648X/aad259.
  3. Brochard L., Soughir S. and Sab K. (2018) Scaling of brittle failure: strength versus toughness International Journal on Fracture, Vol. 210, Issue 1–2, pp 153–166
  4. Cascavita K.L., Bleyer J., Chateau X., and Ern A. (2018) Hybrid discretization methods with adaptive yield surface detection for Bingham pipe flows. Journal of Scientific Computation, accepted. DOI 10.1007/s10915-018-0745-3,
  5. Favier E., Nemati N., Perrot C. and He Q.-C. (2018) Generalized analytic model for rotational and anisotropic metasolids, J. Phys. Commun. 2 035035
  6. Chateau C., Nguyen T.T., Bornert M., Yvonnet J. (2018) DVC-based image subtraction to detect microcracking in lightweight concrete, Strain, accepted
  7. Tran V.P., Brisard S., Guilleminot J. and Sab K. (2018) Mori–Tanaka estimates of the effective elastic properties of stress-gradient composites International Journal of Solids and Structures, 146, 55-68. hal-01740741
  8. Vo, V.-S., Nguyen, V.-H., Mahouche-Chergui, S., Carbonnier, B., Naili, S.; (2018) Estimation of effective elastic properties of polymer/clay nanocomposites: A parametric study, Composites Part B, 152, 139-150
  9. Zhang X., Fadoul O., Lorenceau E. and Coussot P. (2018) Yielding and flow of soft-jammed systems in elongation, Physical Review Letters, 120, 048001
  10. Zhou M., Caré S., Courtier-Murias D., Faure P., Rodts S., Coussot P. (2018) Magnetic resonance imaging evidences of the impact of water sorption on hardwood capillary imbibition dynamics , Wood Science and Technology, doi: 10.1007/s00226-018-1017-y


Comments are closed