论文标题
多晶材料中氢辅助断裂的计算建模
Computational modelling of hydrogen assisted fracture in polycrystalline materials
论文作者
论文摘要
我们提出了一个相结合的相位场和内聚带，用于氢化的氢含量，该公式可以解析金属的多晶微观结构。与以前的研究不同，我们的变形扩散 - 裂缝建模框架是氢微观结构相互作用的解释，并明确捕获了散装（经晶）裂缝和晶间裂缝之间的相互作用，而后者通过诸如晶粒边界脱落的机制促进了后者。我们证明了通过在相关案例研究中模拟间和跨粒状裂纹提出的理论和计算公式的潜力。首先，进行验证计算以显示框架如何预测预期的定性趋势。其次，该模型用于模拟引起特别兴趣的纯Ni和Ni-Cu超合金的最新实验。我们表明，该模型能够与测试数据提供良好的定量一致性，并为实验观察提供机械理由。
We present a combined phase field and cohesive zone formulation for hydrogen embrittlement that resolves the polycrystalline microstructure of metals. Unlike previous studies, our deformation-diffusion-fracture modelling framework accounts for hydrogen-microstructure interactions and explicitly captures the interplay between bulk (transgranular) fracture and intergranular fracture, with the latter being facilitated by hydrogen through mechanisms such as grain boundary decohesion. We demonstrate the potential of the theoretical and computational formulation presented by simulating inter- and trans-granular cracking in relevant case studies. Firstly, verification calculations are conducted to show how the framework predicts the expected qualitative trends. Secondly, the model is used to simulate recent experiments on pure Ni and a Ni-Cu superalloy that have attracted particular interest. We show that the model is able to provide a good quantitative agreement with testing data and yields a mechanistic rationale for the experimental observations.
