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Effect of the stress field of an edge dislocation on carbon diffusion in α-iron: Coupling molecular statics and atomistic kinetic Monte Carlo
Physical Review B, 2010, 82, 54103Article dans une revue scientifique -
Microstructural evolution of irradiated tungsten: Ab initio parameterisation of an OKMC model
Journal of Nuclear Materials, 2010, 403, 75-88Article dans une revue scientifique -
Benchmarking the performance of plane-wave vs. localized orbital basis set methods in DFT modeling of metal surface: a case study for Fe-(110)
Journal of Computational Science, 11-2018, 29, 163-167Article dans une revue scientifique -
Carbon adsorption on and diffusion through the Fe(110) surface and in bulk: Developing a new strategy for the use of empirical potentials in complex material set-ups
physica status solidi (b), 09-12-2016, 254, 1600408Article dans une revue scientifique