粘附、摩擦和（脱）键反应的化学-机械-化学接触理论
A chemo-mechano-thermodynamical contact theory for adhesion, friction and (de)bonding reactions
摘要：
这项工作提出了一个独立的连续制剂耦合化学，机械和热接触相互作用。该公式是非常普遍的，因此允许任意的几何形状，变形和材料的行为。所有的模型方程严格推导出的质量，动量，能量和熵的平衡定律的框架内的不可逆热力学，从而暴露出所有的耦合场方程和本构关系。在这个过程中，共轭的运动学和动力学变量的机械，热和化学接触的识别，和机械，热和化学接触之间的类比突出。特别着重于化学键合的热力学，区分放热和吸热接触反应。远距离、非接触表面相互作用和短距离、接触接触之间也有区别。对于所有本构关系的例子，提出并全面讨论，特别侧重于他们的耦合。最后，三个分析测试情况下，说明热化学机械接触耦合，并验证计算模型是有用的。虽然主要的新颖性是现有的接触配方的化学接触的扩展，提出的配方也揭示了新的光热机械接触，因为它是一贯的基本原则，只使用很少的假设。
英文摘要：
This work presents a self-contained continuum formulation for coupled chemical, mechanical and thermal contact interactions. The formulation is very general and hence admits arbitrary geometry, deformation and material behavior. All model equations are derived rigorously from the balance laws of mass, momentum, energy and entropy in the framework of irreversible thermodynamics, thus exposing all the coupling present in the field equations and constitutive relations. In the process, the conjugated kinematic and kinetic variables for mechanical, thermal and chemical contact are identified, and the analogies between mechanical, thermal and chemical contact are highlighted. Particular focus is placed on the thermodynamics of chemical bonding distinguishing between exothermic and endothermic contact reactions. Distinction is also made between long-range, non-touching surface interactions and short-range, touching contact. For all constitutive relations examples are proposed and discussed comprehensively with particular focus on their coupling. Finally, three analytical test cases are presented that illustrate the thermo-chemo-mechanical contact coupling and are useful for verifying computational models. While the main novelty is the extension of existing contact formulations to chemical contact, the presented formulation also sheds new light on thermo-mechanical contact, since it is consistently derived from basic principles using only few assumptions.
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