Helena Zapolsky

Gilles Demange, Mykola Lavrskyi, Renaud Patte

GPM, UMR CNRS, University of Rouen, France

Multiscale modelling of precipitation kinetics in the presence of elastic effects in alloys

The mechanical properties of metallic materials are determined by their microstructure, and in particular, the different morphologies of precipitates lead to distinct strengthening effects. This why modeling of precipitation kinetics has always been an area of intense activity in physical metallurgy. In mostly of cases this kinetics is governed not only by the chemical driving force but also by the elastic interactions arising from a difference of lattice spacing between matrix phase and coherent precipitates. In this work the effect of coherent elastic strain on the coarsening kinetics and shape instabilities of a single precipitate in Ni-based, Cu-based and Fe-based alloys in an elastically anisotropic cubic system is examined using the phase field modeling, atomic density function theory and recently proposed, the quasiparticle approach. These three approaches have been applied in an effort to investigate the formation of concave interfaces of a coherent Fe-rich particle in Cu-Fe alloys, the coarsening kinetics in Ni-Al alloys and the decomposition kinetics in Fe-C system at different length scales. It is shown that the interplay between elastic and chemical driving forces play a key role in understanding the microstructural evolution in these systems.

K.X.Chen, P.A.Korzhavyi, G.Demange, H.Zapolsky, R.Patte, J.Boisse, Z.D.Wanga
Morphological instability of iron-rich precipitates in CuFeCo alloys
Acta Mater. (2019)
G.Demange, M.Chamaillard, H.Zapolsky, M.Lavrskyi, A.Vaugeois, L.Lunéville, D.Simeone, R.Patte
Generalization of the Fourier-spectral Eyre scheme for the phase-field equations: Application to self-assembly dynamics in materials
Computational Materials Science (2018)
M. Lavrskyi, H. Zapolsky, A.G. Khachaturyan
Quasiparticle approach to diffusional atomic scale self-assembly of complex structures: from disorder to complex crystals and double-helix polymers
npj Computational Materials (2016)
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