This work presents a new thermodynamically consistent model for thermo-chemo-mechanical processes in open systems comprised of nonlinear elastic solids that are infused with reactive fluids and are undergoing large local strains. The interactions between different constituents of the material system are captured through locally homogenized mixture theory. The development of the formulation starts from constituent-wise balance equations for mass, momentum, and energy. The constitutive relations are derived to enforce non-negative entropy production and satisfy the second law of thermodynamics for the open system. The deformation due to thermal and chemical effects is carried out through a multiplicative split of the deformation gradient. Further assumptions on the fluid and solid material responses are introduced to specialize the model to a class of thermo-chemo-mechanical processes that arise in thermal oxidation of metallic and ceramic materials, lithiation of battery anodes, and other related problems. The model is implemented in the standard Galerkin finite element method using eight node hexahedral elements. A set of test cases involving fully coupled thermo-mechanical, chemo-mechanical, and thermo-chemical effects are analyzed. Numerical results obtained are in reasonable agreement with the experimental data for thermo-chemo-mechanical problems concerning the thermal oxidation of silicon carbide and FeCrAlY bond coat material in thermal barrier coatings.

这项工作提出了一种新的热力学一致模型，用于开放系统中的热化学机械过程，该系统由注入反应性流体并承受大局部应变的非线性弹性固体组成。材料系统的不同成分之间的相互作用是通过局部均匀混合理论来捕捉的。该公式的开发从质量、动量和能量的成分平衡方程开始。推导出本构关系以强制产生非负熵并满足开放系统的热力学第二定律。由于热和化学效应引起的变形是通过变形梯度的乘法拆分来实现的。引入了对流体和固体材料响应的进一步假设，以将该模型专门用于一类热化学机械过程，这些过程在金属和陶瓷材料的热氧化、电池阳极的锂化以及其他相关问题中出现。该模型是在标准 Galerkin 有限元方法中使用八节点六面体单元实现的。分析了一组涉及完全耦合的热机械、化学机​​械和热化学效应的测试用例。所获得的数值结果与热障涂层中碳化硅和 FeCrAlY 粘结涂层材料热氧化的热化学机械问题的实验数据具有合理的一致性。电池负极的锂化和其他相关问题。该模型是在标准 Galerkin 有限元方法中使用八节点六面体单元实现的。分析了一组涉及完全耦合的热机械、化学机​​械和热化学效应的测试用例。所获得的数值结果与热障涂层中碳化硅和 FeCrAlY 粘结涂层材料热氧化的热化学机械问题的实验数据具有合理的一致性。电池负极的锂化和其他相关问题。该模型是在标准 Galerkin 有限元方法中使用八节点六面体单元实现的。分析了一组涉及完全耦合的热机械、化学机​​械和热化学效应的测试用例。所获得的数值结果与热障涂层中碳化硅和 FeCrAlY 粘结涂层材料热氧化的热化学机械问题的实验数据具有合理的一致性。