Computational modeling of degradation process of biodegradable magnesium biomaterials

Mojtaba Barzegari; Di Mei; Sviatlana V. Lamaka; Liesbet Geris

doi:10.1016/j.corsci.2021.109674

Computational modeling of degradation process of biodegradable magnesium biomaterials

Mojtaba Barzegari (Corresponding author)
, Di Mei
, Sviatlana V. Lamaka
, Liesbet Geris

Research output: Contribution to journal › Article › Academic › peer-review

43 Citations (Scopus)

Abstract

Despite the advantages of using biodegradable metals in implant design, their uncontrolled degradation and release remain a challenge in practical applications. A validated computational model of the degradation process can facilitate tuning implant biodegradation properties. In this study, a mathematical model of the chemistry of magnesium biodegradation was developed and implemented in a 3D computational model. The parameters were calibrated by Bayesian optimization using dedicated experimental data. The model was validated by comparing the predicted and experimentally obtained pH change in saline and buffered solutions, showing maximum 5% of difference, demonstrating the model's validity to be used for practical cases.

Original language	English
Article number	109674
Number of pages	11
Journal	Corrosion Science
Volume	190
DOIs	https://doi.org/10.1016/j.corsci.2021.109674
Publication status	Published - Sept 2021
Externally published	Yes

Funding

This research is financially supported by the Prosperos project, funded by the Interreg VA Flanders – The Netherlands program, CCI grant no. 2014TC16RFCB046 and by the Fund for Scientific Research Flanders (FWO) , grant G085018N . LG acknowledges support from the European Research Council under the European Union's Horizon 2020 research and innovation programme, ERC CoG 772418. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI.

Funders	Funder number
European Union's Horizon 2020 - Research and Innovation Framework Programme	772418
European Resuscitation Council
Fonds Wetenschappelijk Onderzoek	G085018N

Keywords

Degradable metals
Finite element method
In silico medicine
Magnesium corrosion
Reaction–diffusion models

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10.1016/j.corsci.2021.109674

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abstract = "Despite the advantages of using biodegradable metals in implant design, their uncontrolled degradation and release remain a challenge in practical applications. A validated computational model of the degradation process can facilitate tuning implant biodegradation properties. In this study, a mathematical model of the chemistry of magnesium biodegradation was developed and implemented in a 3D computational model. The parameters were calibrated by Bayesian optimization using dedicated experimental data. The model was validated by comparing the predicted and experimentally obtained pH change in saline and buffered solutions, showing maximum 5\% of difference, demonstrating the model's validity to be used for practical cases.",

keywords = "Degradable metals, Finite element method, In silico medicine, Magnesium corrosion, Reaction–diffusion models",

author = "Mojtaba Barzegari and Di Mei and Lamaka, \{Sviatlana V.\} and Liesbet Geris",

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AU - Barzegari, Mojtaba

AU - Mei, Di

AU - Lamaka, Sviatlana V.

AU - Geris, Liesbet

PY - 2021/9

Y1 - 2021/9

N2 - Despite the advantages of using biodegradable metals in implant design, their uncontrolled degradation and release remain a challenge in practical applications. A validated computational model of the degradation process can facilitate tuning implant biodegradation properties. In this study, a mathematical model of the chemistry of magnesium biodegradation was developed and implemented in a 3D computational model. The parameters were calibrated by Bayesian optimization using dedicated experimental data. The model was validated by comparing the predicted and experimentally obtained pH change in saline and buffered solutions, showing maximum 5% of difference, demonstrating the model's validity to be used for practical cases.

AB - Despite the advantages of using biodegradable metals in implant design, their uncontrolled degradation and release remain a challenge in practical applications. A validated computational model of the degradation process can facilitate tuning implant biodegradation properties. In this study, a mathematical model of the chemistry of magnesium biodegradation was developed and implemented in a 3D computational model. The parameters were calibrated by Bayesian optimization using dedicated experimental data. The model was validated by comparing the predicted and experimentally obtained pH change in saline and buffered solutions, showing maximum 5% of difference, demonstrating the model's validity to be used for practical cases.

KW - Degradable metals

KW - Finite element method

KW - In silico medicine

KW - Magnesium corrosion

KW - Reaction–diffusion models

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VL - 190

JO - Corrosion Science

JF - Corrosion Science

M1 - 109674

ER -

Computational modeling of degradation process of biodegradable magnesium biomaterials

Abstract

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Keywords

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