4.7 Article

Molecular dynamics simulation of vacancy and void effects on strain-induced martensitic transformations in Fe-50 at.% Ni model concentrated solid solution alloy

Journal

SCRIPTA MATERIALIA
Volume 209, Issue -, Pages -

Publisher

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.scriptamat.2021.114394

Keywords

Molecular dynamics; Martensitic phase transformation; Crystal defects; Concentrated solid solution

Funding

  1. U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0020150]
  2. U.S. Department of Energy (DOE) [DE-SC0020150] Funding Source: U.S. Department of Energy (DOE)

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Vacancies have no significant effect on martensitic transformation, while voids activate the transformation by inducing shear strain accumulation due to dislocation pileup. The larger the void, the more pronounced the effect.
Strain-induced martensitic transformations can improve the strength and ductility of some face centered cubic (FCC) metals and alloys. Irradiation-induced defects such as vacancies, dislocation loops, and voids activate martensitic transformations over a wider range of mechanical loading conditions than in pristine material. However, the mechanisms underlying irradiation-enabled martensite transformations remain unclear. In this work, we use molecular dynamics simulations to study the effect of vacancies and voids on strain-induced martensitic transformations in a model concentrated solid solution alloy Fe-50 at.% Ni. It has been found that single vacancies have no resolvable effect on the transformation because they reduce the stacking fault energy by a relatively insignificant margin and do so only if the vacancy is located on the stacking fault plane. Voids, however, activate the martensite transformation through shear strain accumulation around the void due to dislocation pileup. The larger the void, the more pronounced this effect. (c) 2021 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

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