Publications in international research journals

35. R. Besson, L. Favergeon, Understanding the Mechanisms of CaO Carbonation: Role of Point Defects in CaCO3 by Atomic-Scale Simulations, The Journal of Physical Chemistry C 118, 22583-22591 (2014), [doi: 10.1021/jp506102c, LillOA]
34. M. Lescoat, J. Ribis, Y. Chen, E. Marquis, E. Bordas, P. Trocellier, Y. Serruys, A. Gentils, O. Kaïtasov, Y. De Carlan, A. Legris, Radiation-induced Ostwald ripening in oxide dispersion strengthened ferritic steels irradiated at high ion dose, Acta Materialia 78, 328-340 (2014), [doi: 10.1016/j.actamat.2014.06.060, LillOA]
33. T. Popela, D. Vojtěch, J.-B. Vogt, A. Michalcová, Structural, mechanical and oxidation characteristics of siliconized Ti-Al-X (X=Nb, Ta) alloys, Applied Surface Science 307, 579-588 (2014), [doi: 10.1016/j.apsusc.2014.04.076, LillOA]
32. C. Ye, J.-B. Vogt, I. Proriol Serre, Brittle fracture of T91 steel in liquid lead-bismuth eutectic alloy, Nuclear Engineering and Design 280, 680-685 (2014), [doi: 10.1016/j.nucengdes.2014.04.044, LillOA]
31. O. Hamdane, J.-B. Vogt, I. Proriol Serre, N. Nuns, ToF-SIMS analyses of brittle crack initiation of T91 steel by liquid sodium, Materials Chemistry and Physics 145, 243-249 (2014), [doi: 10.1016/j.matchemphys.2014.02.016, LillOA]
30. J. Boisse, A. De Backer, C. Domain, C. Becquart, Modeling of the self trapping of helium and the trap mutation in tungsten using DFT and empirical potentials based on DFT, Journal of Materials Research 29, 2374-2386 (2014), [doi: 10.1557/jmr.2014.258, LillOA]
29. G.-H. Lu, H.-B. Zhou, C. Becquart, A review of modelling and simulation of hydrogen behaviour in tungsten at different scales, Nuclear Fusion 54, 86001 (2014), [doi: 10.1088/0029-5515/54/8/086001, LillOA]
28. D. Costa, G. Adjanor, C. Becquart, P. Olsson, C. Domain, Vacancy migration energy dependence on local chemical environment in Fe-Cr alloys: A Density Functional Theory study, Journal of Nuclear Materials 452, 425-433 (2014), [doi: 10.1016/j.jnucmat.2014.05.007, LillOA]
27. J. Boisse, C. Domain, C. Becquart, Modelling self trapping and trap mutation in tungsten using DFT and Molecular Dynamics with an empirical potential based on DFT, Journal of Nuclear Materials 455, 10-15 (2014), [doi: 10.1016/j.jnucmat.2014.02.031, LillOA]
26. C. Ortiz, A. Souidi, C. Becquart, C. Domain, M. Hou, Recent radiation damage studies and developments of the Marlowe code, Radiation Effects and Defects in Solids 169, 592-602 (2014), [doi: 10.1080/10420150.2014.920018, LillOA]
25. S. Daviðsdóttir, J.-P. Petit, M. Mermoux, R. Shabadi, S. Canulescu, K.P. Almtoft, K. Dirscherl, R. Ambat, Interfacial Structure and Photocatalytic Activity of Magnetron Sputtered TiO2 on Conducting Metal Substratesundefined, ACS Applied Materials & Interfaces 141209160026002 (2014), [doi: 10.1021/am5059298, LillOA]
24. S. Hany, B. Duponchel, C. Poupin, A.A. Kais, D. Dewael, J.-B. Vogt, J. Bouquerel, H. Kacem, A. Mouftiez, S. Hariri, M. Milochova, E. Bychkov, E. Abi-Aad, Microstructural and Mechanical Properties of 9%Ni Steels Used for the Construction of LNG Storage Tanks, Advanced Materials Research 936, 1953-1957 (2014), [doi: 10.4028/www.scientific.net/AMR.936.1953, LillOA]
23. J. Bouquerel, B. Diawara, A. Dubois, M. Dubar, J.-B. Vogt, D. Najjar, Investigations of the microstructural response to a cold forging process of the 6082-T6 alloy, Materials & Design (2014), [doi: 10.1016/j.matdes.2014.12.005, LillOA]
22. R. Besson, J. Kwon, L. Thuinet, M.-N. Avettand-Fènoël, A. Legris, First-principles study of Al-Cu energetics and consequences on athermal formation of Cu-rich compounds, Physical Review B 90, (2014), [doi: 10.1103/PhysRevB.90.214104, LillOA]
21. R. Shabadi, M.-N. Avettand-Fènoël, A. Simar, R. Taillard, P. Jain, R. Johnson, Thermal Conductivity in Yttria Dispersed Copper, Materials & Design (2014), [doi: 10.1016/j.matdes.2014.09.083, LillOA]
20. K. Cheng, V. Ordomsky, M. Virginie, B. Legras, P.A. Chernavskii, V. Kazak, C. Cordier, S. Paul, Y. Wang, A. Khodakov, Support effects in high temperature Fischer-Tropsch synthesis on iron catalysts, Applied Catalysis A. General 488, 66-77 (2014), [doi: 10.1016/j.apcata.2014.09.033, LillOA]
19. V.C. Gudla, S. Canulescu, R. Shabadi, K. Rechendorff, K. Dirscherl, R. Ambat, Structure of anodized Al-Zr sputter deposited coatings and effect on optical appearance, Applied Surface Science (2014), [doi: 10.1016/j.apsusc.2014.09.037, LillOA]
18. H.S. Hasan, M.J. Peet, M.-N. Avettand-Fènoël, H.K.D.H. Bhadeshia, Effect of tempering upon the tensile properties of a nanostructured bainitic steel, Materials Science and Engineering A 615, 340-347 (2014), [doi: 10.1016/j.msea.2014.07.097, LillOA]
17. C. CORDIER, J. Foct, Driving force for low temperature sintering of interstitial and intermetallic powders and induced applications, Powder Metallurgy 57, 220-224 (2014), [doi: 10.1179/1743290114Y.0000000090, LillOA]
16. H. Rouchette, L. Thuinet, A. Legris, A. Ambard, C. Domain, Influence of shape anisotropy of self-interstitials on dislocation sink efficiencies in Zr: Multiscale modeling, Physical Review B 90, (2014), [doi: 10.1103/PhysRevB.90.014104, LillOA]
15. C. Zhou, G. Ji, Z. Chen, M. Wang, A. Addad, D. Schryvers, H. Wang, Fabrication, interface characterization and modeling of oriented graphite flakes/Si/Al composites for thermal management applications, Materials & Design 63, 719-728 (2014), [doi: 10.1016/j.matdes.2014.07.009, LillOA]
14. S. Ma, P. Zhang, G. Ji, Z. Chen, G. Sun, S. Zhong, V. Ji, H. Wang, Microstructure and mechanical properties of friction stir processed Al-Mg-Si alloys dispersion-strengthened by nanosized TiB2 particles, Journal of Alloys and Compounds 616, 128-136 (2014), [doi: 10.1016/j.jallcom.2014.07.092, LillOA]
13. S. Daviðsdóttir, R. Shabadi, A.C. Galca, I.H. Andersen, K. Dirscherl, R. Ambat, Investigation of DC magnetron-sputtered TiO2 coatings: Effect of coating thickness, structure, and morphology on photocatalytic activity, Applied Surface Science (2014), [doi: 10.1016/j.apsusc.2014.06.047, LillOA]
12. X.P. Li, J. Wang, M. Yan, G. Ji, G. Schaffer, M. Qian, Formation of anomalously large Al single crystals at triple points during pulsed electric current sintering (PECS) of Al86Ni6Y4.5Co2La1.5 metallic glass, Materials Letters 132, 196-199 (2014), [doi: 10.1016/j.matlet.2014.06.077, LillOA]
11. G. Serghiou, G. Ji, M. Koch-Müller, N. Odling, H.J. Reichmann, J.P. Wright, P. Johnson, Dense Si(x)Ge(1-x) (0 < x < 1) materials landscape using extreme conditions and precession electron diffraction, Inorganic Chemistry 53;11, (2014), [doi: 10.1021/ic500416s, LillOA]
10. N. Dauphas, M. Roskosz, E. Alp, D. Neuville, M. Hu, C.K.I. Sio, F. Tissot, J. Zhao, L. Tissandier, E. Médard, C. CORDIER, Magma redox and structural controls on iron isotope variations in Earth's mantle and crust, Earth and Planetary Science Letters 398, 127-140 (2014), [doi: 10.1016/j.epsl.2014.04.033, LillOA]
9. C. Ye, J.-B. Vogt, I. Proriol Serre, Liquid metal embritllement of the T91 steel in lead bismuth eutectic : the role of the loading rate and of the oxygen content in the liquid metal, Materials Science and Engineering A (2014), [doi: 10.1016/j.msea.2014.04.082, LillOA]
8. M.-N. Avettand-Fènoël, A. Simar, R. Shabadi, R. Taillard, B. De Meester, Characterization of oxide dispersion strengthened copper based materials developed by friction stir processing, Materials & Design 60, 343-357 (2014), [doi: 10.1016/j.matdes.2014.04.012, LillOA]
7. M.-N. Avettand-Fènoël, R. Taillard, J. Laye, T. Odièvre, Experimental Investigation of Three-Dimensional (3-D) Material Flow Pattern in Thick Dissimilar 2050 Friction-Stir Welds, Metallurgical and Materials Transactions A 45, 563-578 (2014), [doi: 10.1007/s11661-013-2015-1, LillOA]
6. H. Rouchette, L. Thuinet, A. Legris, A. Ambard, C. Domain, Quantitative phase field model for dislocation sink strength calculations, Computational Materials Science 88, 50-60 (2014), [doi: 10.1016/j.commatsci.2014.02.011, LillOA]
5. J. Piochaud, T.P.C. Klaver, G. Adjanor, P. Olsson, C. Domain, C. Becquart, First-principles study of point defects in an fcc Fe-10Ni-20Cr model alloy, Physical Review B 89, (2014), [doi: 10.1103/PhysRevB.89.024101, LillOA]
4. R.G. Veiga, C. Becquart, M. Perez, Comments on “Atomistic modeling of an Fe system with a small concentration of C”, Computational Materials Science 82, 118-121 (2014), [doi: 10.1016/j.commatsci.2013.09.048, LillOA]
3. G. Ji, Z.Q. Tan, R. Shabadi, Z.Q. Li, W. Grünewald, A. Addad, D. Schryvers, D. Zhang, Triple ion beam cutting of diamond/Al composites for interface characterization, Materials Characterization 89, 132-137 (2014), [doi: 10.1016/j.matchar.2014.01.008, LillOA]
2. J. Kwon, L. Thuinet, M.-N. Avettand-Fènoël, A. Legris, R. Besson, Point defects and formation driving forces of complex metallic alloys: Atomic-scale study of Al4Cu9, Intermetallics 46, 250-258 (2014), [doi: 10.1016/j.intermet.2013.11.023, LillOA]
1. Z.Q. Tan, Z.Q. Li, D.-B. Xiong, G. Fan, G. Ji, D. Zhang, A predictive model for interfacial thermal conductance in surface metallized diamond aluminum matrix composites, Materials & Design 55, 257-262 (2014), [doi: 10.1016/j.matdes.2013.09.060, LillOA]