08 Feb 2022 - Tony

New paper on Mo in cementite

https://www.sciencedirect.com/science/article/abs/pii/S0921452622000138

Sebastián Echeverri Restrepo has a new paper out in Physica B: Condensed Matter (link above)

Abstract: The presence of substitutional atoms, other than iron, in the cementite phase in steels can have a beneficial influence on different mechanical and thermodynamic properties. For example, the addition of molybdenum, which tends to partition to cementite and stabilise it, can improve the hardness of the steel at higher temperatures. In order to better understand the effects of Mo as a substitutional element, an energetic, structural, electronic, and mechanical characterisation of cementite containing Mo atoms was performed. Formation enthalpies, densities of states, and the full stiffness tensors were calculated and analysed in terms of preferential occupation sites, stability, ductile/brittle behaviour, and isotropic and directional evolution of the elastic constants.

Highlights:

• An energetic, structural and mechanical study of alloyed cementite is presented.
• The formation enthalpy and the stiffness tensor of alloyed cementite is shown.
• The ductile/brittle behaviour of alloyed cementite is analysed.
• The presence of a Mo atom in cementite leads to an increase in the elastic moduli.
• Mo has the tendency to make cementite behave in a slightly more brittle manner.
• The addition of Mo reduces the symmetry of pure cementite. </ul>

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