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 the tuning of implant biodegradation by changing design properties. In this study, a physicochemical model was developed by deriving a mathematical description of the chemistry of magnesium biodegradation and implementing it in a 3D computational model. The model parameters were calibrated using the experimental data of hydrogen evolution by performing a Bayesian optimization routine. The model was validated by comparing the predicted change of pH in saline and buffered solutions with the experimentally obtained values from corrosion tests, showing maximum 5% of difference, demonstrating the model's validity to be used for practical cases.

中文翻译：

---

可生物降解镁生物材料降解过程的计算模型

尽管在植入物设计中使用可生物降解金属具有优势，但它们在不受控制的情况下降解和释放仍然是实际应用中的挑战。经过验证的降解过程计算模型可以通过更改设计属性来促进植入物生物降解的调整。在这项研究中，通过推导镁生物降解化学的数学描述并将其实现在3D计算模型中，开发了一个物理化学模型。通过执行贝叶斯优化程序，使用析氢的实验数据对模型参数进行校准。通过将盐水和缓冲溶液中pH的预测变化与腐蚀试验的实验值进行比较，验证了模型的有效性，该结果显示出最大5％的差异，证明了模型的正确性。