In the past years, a significant amount of effort has been directed at the observation and characterisation of caries using experimental techniques. Nevertheless, relatively little progress has been made in numerical modelling of the underlying demineralisation process.

The present study is the first attempt to provide a simplified calculation framework for the numerical simulation of the demineralisation process at the length scale of enamel rods and its validation by comparing the data with statistical analysis of experimental results.

FEM model was employed to simulate a time-dependent reaction-diffusion equation process in which H ions diffuse and cause demineralisation of the enamel. The local orientation of the hydroxyapatite crystals was taken into account. Experimental analysis of the demineralising front was performed using advanced high-resolution synchrotron X-ray micro-Computed Tomography. Further experimental investigations were conducted by means of SEM and STEM imaging techniques.

Besides establishing and validating the new modelling framework, insights into the role of the etchant solution pH level were obtained. Additionally, some light was shed on the origin of different types of etching patterns by simulating the demineralisation process at different etching angles of attack.

The implications of this study pave the way for simulations of enamel demineralisation within different complex scenarios and across the range of length scales. Indeed, the framework proposed can incorporate the presence of chemical species other than H ions and their diffusion and reaction leading to dissolution and re-precipitation of hydroxyapatite. It is the authors’ hope and aspiration that ultimately this work will help identify new ways of controlling and preventing caries.

在过去的几年中，已经投入大量的精力来使用实验技术来观察和鉴定龋齿。然而，在基础脱矿过程的数值模拟中，进展相对较小。

本研究是首次尝试提供简化的计算框架，用于对釉质棒长度范围内的脱盐过程进行数值模拟，并通过将数据与实验结果的统计分析进行比较来对其进行验证。

有限元模型被用来模拟一个随时间变化的反应扩散方程过程，在该过程中氢离子扩散并引起釉质的脱矿质。考虑了羟基磷灰石晶体的局部取向。使用先进的高分辨率同步加速器X射线微计算机断层扫描技术对脱盐前沿进行了实验分析。通过SEM和STEM成像技术进行了进一步的实验研究。

除了建立和验证新的建模框架外，还获得了对蚀刻剂溶液pH值作用的见解。另外，通过在不同的蚀刻迎角下模拟脱盐过程，将一些光照射到不同类型的蚀刻图案的起点上。

这项研究的意义为在不同的复杂情况下以及在各种长度范围内模拟搪瓷脱盐铺平了道路。实际上，提出的框架可以结合除氢离子以外的化学物质的存在以及它们的扩散和反应，导致羟基磷灰石的溶解和再沉淀。作者的希望和抱负最终将使这项工作有助于发现控制和预防龋齿的新方法。