Impact of stresses and alloying elements on ferrous martensite nanodomains

Paul Eyméoud (1) , Dmytro Kandaskalov (1) , Philippe Maugis (1)

1 IM2NP - Institut des Matériaux, de Microélectronique et des Nanosciences de Provence

Using first-principles calculations, we investigated the impact of applied stresses and alloying elements on ferrous martensite nanodomains. In non-alloyed martensite, the procedure revealed that twinned states can be stabilized depending on applied stresses, leading to several possible crystallographic structures: body-centered tetragonal (BCT) oblate, body-centered orthorhombic (BCO), or BCT prolate. In alloyed martensite, we confirmed the experimental data from literature showing that Al or high Ni addition disfavors crystal twin formation (leading to BCT variants with high tetragonality ratios), whereas Cr, Mn, or Re addition favors crystal twin formation (leading to BCO variants with low tetragonality ratios).

Mots clés: Martensite; Tetragonality; Twinning; Alloying elements; Stress; Density functional theory

Domaines: Matériaux

Paul Eyméoud, Dmytro Kandaskalov, Philippe Maugis. Impact of stresses and alloying elements on ferrous martensite nanodomains. Materials Letters, 2022, 308, pp.131248. ⟨10.1016/j.matlet.2021.131248⟩. ⟨hal-03600566v2⟩