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 March 23rd, 2017)


  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. 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
  3. 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, in press, hal-01474701
  4. 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, in press
  5. 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, in press
  6. Laborie, B., Rouyer, F., Angelescu, D. E. and Lorenceau, E., Yield-stress fluid deposition in circular channels, Journal of Fluids Mechanics, accepted.
  7. 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.
  8. 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

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