An in-silico corrosion model for biomedical applications for coupling with in-vitro biocompatibility tests for estimation of long-term effects

Title An in-silico corrosion model for biomedical applications for coupling with in-vitro biocompatibility tests for estimation of long-term effects
Author Šušteršič, T., Şimsek, Görkem Muttalip, Yapıcı, Güney Güven, Nikolić, M., Vulović, R., Filipovic, N., Vrana, N. E.
Publication Date: 2021-09-07
Publication Place - Frontiers Media
Subject Biomaterial corrosion, Cellular automata, Implant surfaces, In silico modelling, Nickel titanium alloy, Numerical simulations
Type Periodical
Language Undetermined
Digital Yes
Manuscript No
Library: Özyeğin University
Library Asset ID 2296-4185
Record ID d9a999d6-e47a-43ef-89af-cb453d609879
Library Location Mechanical Engineering
Date 2021-09-07
Notes Ministry of Education, Science & Technological Development, Serbia ; European Union’s Horizon 2020 ; Ozyegin University
Sample Text The release of metal particles and ions due to wear and corrosion is one of the main underlying reasons for the long-term complications of implantable metallic implants. The rather short-term focus of the established in-vitro biocompatibility tests cannot take into account such effects. Corrosion behavior of metallic implants mostly investigated in in-vitro body-like environments for long time periods and their coupling with long-term in-vitro experiments are not practical. Mathematical modeling and modeling the corrosion mechanisms of metals and alloys is receiving a considerable attention to make predictions in particular for long term applications by decreasing the required experimental duration. By using such in-silico approaches, the corrosion conditions for later stages can be mimicked immediately in in-vitro experiments. For this end, we have developed a mathematical model for multi-pit corrosion based on Cellular Automata (CA). The model consists of two sub-models, corrosion initialization and corrosion progression, each driven by a set of rules. The model takes into account several environmental factors (pH, temperature, potential difference, etc.), as well as stochastic component, present in phenomena such as corrosion. The selection of NiTi was based on the risk of Ni release from the implant surface as it leads to immune reactions. We have also performed experiments with Nickel Titanium (NiTi) shape memory alloys. The images both from simulation and experiments can be analyzed using a set of statistical methods, also investigated in this paper (mean corrosion, standard deviation, entropy etc.). For more widespread implementation, both simulation model, as well as analysis of output images are implemented as a web tool. Described methodology could be applied to any metal provided that the parameters for the model are available. Such tool can help biomedical researchers to test their new metallic implant systems at different time points with respect to ion release and corrosion and couple the obtained information directly with in-vitro tests.
DOI 10.3389/fbioe.2021.718026
Cilt 9
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An in-silico corrosion model for biomedical applications for coupling with in-vitro biocompatibility tests for estimation of long-term effects

Author Šušteršič, T., Şimsek, Görkem Muttalip, Yapıcı, Güney Güven, Nikolić, M., Vulović, R., Filipovic, N., Vrana, N. E.
Publication Date 2021-09-07
Publication Place - Frontiers Media
Subject Biomaterial corrosion, Cellular automata, Implant surfaces, In silico modelling, Nickel titanium alloy, Numerical simulations
Type Periodical
Language Undetermined
Digital Yes
Manuscript No
Library Özyeğin University
Library Asset ID 2296-4185
Record ID d9a999d6-e47a-43ef-89af-cb453d609879
Library Location Mechanical Engineering
Date 2021-09-07
Notes Ministry of Education, Science & Technological Development, Serbia ; European Union’s Horizon 2020 ; Ozyegin University
Sample Text The release of metal particles and ions due to wear and corrosion is one of the main underlying reasons for the long-term complications of implantable metallic implants. The rather short-term focus of the established in-vitro biocompatibility tests cannot take into account such effects. Corrosion behavior of metallic implants mostly investigated in in-vitro body-like environments for long time periods and their coupling with long-term in-vitro experiments are not practical. Mathematical modeling and modeling the corrosion mechanisms of metals and alloys is receiving a considerable attention to make predictions in particular for long term applications by decreasing the required experimental duration. By using such in-silico approaches, the corrosion conditions for later stages can be mimicked immediately in in-vitro experiments. For this end, we have developed a mathematical model for multi-pit corrosion based on Cellular Automata (CA). The model consists of two sub-models, corrosion initialization and corrosion progression, each driven by a set of rules. The model takes into account several environmental factors (pH, temperature, potential difference, etc.), as well as stochastic component, present in phenomena such as corrosion. The selection of NiTi was based on the risk of Ni release from the implant surface as it leads to immune reactions. We have also performed experiments with Nickel Titanium (NiTi) shape memory alloys. The images both from simulation and experiments can be analyzed using a set of statistical methods, also investigated in this paper (mean corrosion, standard deviation, entropy etc.). For more widespread implementation, both simulation model, as well as analysis of output images are implemented as a web tool. Described methodology could be applied to any metal provided that the parameters for the model are available. Such tool can help biomedical researchers to test their new metallic implant systems at different time points with respect to ion release and corrosion and couple the obtained information directly with in-vitro tests.
DOI 10.3389/fbioe.2021.718026
Cilt 9
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