Search Results - "Trochet, Mickaël"
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Study of point defects diffusion in nickel using kinetic activation-relaxation technique
Published in Acta materialia (01-02-2018)“…Point defects play a central role in materials properties. Yet, details regarding their diffusion and aggregation are still largely lacking beyond the monomer…”
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Influence of magnetic excitation and vibrational entropy on the phase diagram of Fe1−xCrx alloys
Published in Computational materials science (01-11-2021)“…[Display omitted] We study the thermodynamic properties of iron-chromium alloys in the framework of the Magnetic Cluster Expansion, a model of effective…”
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Diffusion of point defects in crystalline silicon using the kinetic activation-relaxation technique method
Published in Physical review. B, Condensed matter and materials physics (16-06-2015)“…We study point-defect diffusion in crystalline silicon using the kinetic activation-relaxation technique (k-ART), an off-lattice kinetic Monte Carlo method…”
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Diffusion properties of Fe–C systems studied by using kinetic activation–relaxation technique
Published in Computational materials science (01-02-2016)“…[Display omitted] Diffusion of carbon in iron is associated with processes such as carburization and the production of steels. In this work, the kinetic…”
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Following atomistic kinetics on experimental timescales with the kinetic Activation–Relaxation Technique
Published in Computational materials science (01-04-2015)“…•We present Kinetic ART (k-ART), an on-the-fly off-lattice kinetic Monte-Carlo method.•We show that k-ART simulates complex systems, such amorphous materials,…”
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Following atomistic kinetics on experimental timescales with the kinetic Activation–Relaxation Technique
Published in Computational materials science (24-12-2014)“…The properties of materials, even at the atomic level, evolve on macroscopic time scales. Following this evolution through simulation has been a challenge for…”
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