46 citations · 188 across the 9 of their papers we have counts for
9 papers
Robust crystal structure identification at extreme conditions using a density-independent spectral descriptor and supervised learning
Paul Lafourcade, Jean-Bernard Maillet, Christophe Denoual +4
The increased time- and length-scale of classical molecular dynamics simulations have led to raw data flows surpassing storage capacities, necessitating on-the-fly integration of s…
Elastic anisotropy of 1,3,5-Triamino-2,4,6-Trinitrobenzene as a function of temperature and pressure: A Molecular Dynamics study
Paul Lafourcade, Jean-Bernard Maillet, Nicolas Bruzy +1
The equation of state of the triclinic compound 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) as well as its second-order isothermal elastic tensor were computed through classical mo…
Mechanism for the α -> ε phase transition in iron
Bertrand Dupé, Bernard Amadon, Yves-Patrick Pellegrini +1
The mechanism of the α-ε transition in iron is reconsidered. A path in the Burgers description of the bcc/hcp transition different from those previously considered is proposed. It…
Kinetics of heterogeneous nucleation and growth: An approach based on a grain explicit model
Bertrand Rouet-Leduc, Jean-Bernard Maillet, Christophe Denoual
A model for phase transitions initiated on grain boundaries is proposed and tested against numerical simulations: this approach based on a grain explicit model (GEM) allows to cons…
Inertial and retardation effects for dislocation interactions
L. Pillon, C. Denoual
A new formulation for the equation of motion of interacting dislocations is derived. From this solution it is shown that additional coupling forces, of kinetic and inertial origin,…
Phase-Field Reaction-Pathway Kinetics of Martensitic Transformations in a Model Fe3Ni Alloy
Christophe Denoual, Anna Maria Caucci, Laurent Soulard +1
A three-dimensional phase-field approach to martensitic transformations that uses reaction pathways in place of a Landau potential is introduced and applied to a model of Fe3Ni. Pa…