Effects of Fe atoms on hardening of a nickel matrix: Nanoindentation experiments and atom-scale numerical modeling

L. Kurpaska*, F. J. Dominguez-Gutierrez, Y. Zhang, K. Mulewska, H. Bei, W. J. Weber, A. Kosińska, W. Chrominski, I. Jozwik, R. Alvarez-Donado, S. Papanikolaou, J. Jagielski, M. Alava

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

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Significant hardening effect due to Fe concentrations in Ni-based alloys with face-centered-cubic structure has been studied by using a combined experimental and atomistic-based computational approach via nanoindentation tests. The obtained experimental load–displacement data for the [0 0 1] crystal orientation reached a qualitative good agreement with molecular dynamics simulations results, leading to strong evidence that the main strengthening factors are associated to sluggish dislocation diffusion, reduced defect sizes and the nucleation of tetrahedral stacking faults. Here, interstitial type prismatic dislocation loops mainly formed by ⅙〈1 1 2〉 Shockley dislocations are nucleated during the loading process, where their interaction leads to the formation of pyramidal shaped stacking fault which are mainly created by ⅓〈1 0 0〉 Hirth dislocations lines. Observing both types of defects coexisting in the same plastic deformation zone by both approaches. Reported mechanical data, measured experimentally and interpreted numerically, are also in accordance with microstructural SEM and TEM investigations.

Original languageEnglish
Article number110639
Pages (from-to)1-12
Number of pages12
JournalMaterials & design
Publication statusPublished - May 2022
MoE publication typeA1 Journal article-refereed


  • Dislocation nucleation
  • Hardness
  • MD simulations
  • Nanoindentation
  • Ni-based solid solution alloys


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