28 citations · 40 across the 6 of their papers we have counts for
6 papers
Tin (Sn) at high pressure: review, X-ray diffraction, DFT calculations, and Gibbs energy modeling
Guillaume Deffrennes, Philippe Faure, François Bottin +2
An assessment of the Sn unary system is presented. First, the literature on phase equilibria, the thermodynamic properties, the volume and related properties, and shock compression…
On models to describe the volume in the context of establishing high-pressure Gibbs energy databases
Guillaume Deffrennes, Jean-Marc Joubert, Benoit Oudot
High-pressure Gibbs energy approaches are promising for establishing multi-component thermodynamic databases. However, so far, they have often been considered unsuccessful, because…
Supervised deep learning prediction of the formation enthalpy of the full set of configurations in complex phases: the phase as an example
Jean-Claude Crivello, Nataliya Sokolovska, Jean-Marc Joubert
Machine learning (ML) methods are becoming integral to scientific inquiry in numerous disciplines, such as material sciences. In this manuscript, we demonstrate how ML can be used…
Optimization of criteria for an efficient screening of new thermoelectric compounds: the TiNiSi structure type as a case-study
Celine Barreteau, Jean-Claude Crivello, Jean-Marc Joubert +1
High-throughput calculations are a very promising tool for screening a large number of compounds in order to discover new useful materials. Ternary intermetallic are thus investiga…
From single phase to dual-phase TRIP-TWIP titanium alloys for the improvement of the yield strength
Lola Lilensten, Yolaine Danard, Régis Poulain +6
Aiming at increasing the yield strength of transformation and twinning induced plasticity (TRIP and TWIP) titanium alloys, a dual-phase / alloy is designed and studied. The c…
Looking for new thermoelectric materials among the TMX intermetallics using high-throughput calculations
Celine Barreteau, Jean-Claude Crivello, Jean-Marc Joubert +1
Within 4 different crystal structures, 2280 ternary intermetallic configurations have been investigated via high-throughput density functional theory calculations in order to disco…