Unraveling the temperature-dependent plastic deformation mechanisms of polycrystalline Ta implants through numerical analysis of grain boundary dynamics

  • Nanostructured tantalum (Ta)-based dental implants have recently attracted significant attention thanks to their superior biocompatibility and bioactivity as compared to their titanium-based counterparts. While the biological and chemical aspects of Ta implants have been widely studied, their mechanical features have been investigated more rarely. Additionally, the mechanical behavior of these implants and, more importantly, their plastic deformation mechanisms are still not fully understood. Accordingly, in the current research, molecular dynamics simulation as a powerful tool for probing the atomic-scale phenomena is utilized to explore the microstructural evolution of pure polycrystalline Ta samples under tensile loading conditions. Various samples with an average grain size of 2–10 nm are systematically examined using various crystal structure analysis tools to determine the underlying deformation mechanisms. The results reveal that for the samples with an average grain size larger than 8 nm, twinning and dislocation slip are the main sources of any plasticity induced within the sample. For finer-grained samples, the activity of grain boundaries—including grain elongation, rotation, migration, and sliding—are the most important mechanisms governing the plastic deformation. Finally, the temperature-dependent Hall–Petch breakdown is thoroughly examined for the nanocrystalline samples via identification of the grain boundary dynamics.

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Author:Arash Kardani, Abbas Montazeri, Herbert M. UrbassekORCiD
Parent Title (English):Journal of Materials Science
Publisher:Springer Nature - Springer
Document Type:Article
Language of publication:English
Date of Publication (online):2024/03/28
Year of first Publication:2022
Publishing Institution:Rheinland-Pfälzische Technische Universität Kaiserslautern-Landau
Date of the Publication (Server):2024/03/28
Page Number:17
First Page:16490
Last Page:16506
Faculties / Organisational entities:Kaiserslautern - Fachbereich Physik
DDC-Cassification:6 Technik, Medizin, angewandte Wissenschaften / 620 Ingenieurwissenschaften und Maschinenbau
Licence (German):Zweitveröffentlichung