Abstract A theoretical model for thermo-chemo-mechanically coupled problems considering plastic flow at large deformation is proposed, which can be applied to predict mechanical behavior of materials under thermal and chemical environments. Different from other models in literatures, the present model derives the driving forces in the case of large deformation for reaction and diffusion: the chemical affinity and the chemical potential, by employing the extent of reaction and the diffusion concentration as two kinds of independent variables so that diffusion and reaction can be distinguished. Then a modified chemical kinetics is developed to satisfy the dissipation inequality, which depends not only on species concentrations, but also on deformation. This modified chemical kinetics is constructed from the most popular chemical kinetics in chemistry, initially expressed as a power function of the concentrations of reactants and products, by incorporating the Eshelby stress into the chemical affinity to reflect the influence of deformation on the chemical kinetics. A case study of metal oxidation is provided to demonstrate the application of the present model.

中文翻译：

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考虑大变形塑性流动的热-化学-机械耦合问题的理论模型及其在金属氧化中的应用

摘要 提出了考虑大变形塑性流动的热-化学-机械耦合问题的理论模型，可用于预测材料在热和化学环境下的力学行为。与文献中的其他模型不同，本模型通过将反应程度和扩散浓度作为两种自变量，推导出大变形情况下反应和扩散的驱动力：化学亲和力和化学势。可以区分扩散和反应。然后开发修改后的化学动力学以满足耗散不等式，这不仅取决于物种浓度，还取决于变形。这种修改后的化学动力学是从化学中最流行的化学动力学构建的，最初表示为反应物和产物浓度的幂函数，通过将 Eshelby 应力纳入化学亲和力以反映变形对化学动力学的影响。提供了一个金属氧化的案例研究来证明本模型的应用。