This work presents a computational framework to predict possible scenarios of pinhole distributions in hermetic barrier encapsulated organic layers to fill the lack of pinhole damage studies in thin film/organic electronics to a great extent. We describe various scenarios, including multiple pinhole damages of varying sizes and distances on a polymer film. An equation of water vapor transmission rates is proposed for polyimide films encapsulated with ALD ultrabarriers from computational experiments performed with different strategies. The validity of this equation covers pinhole damages ranging from 100 nm to 2.2 mm and any size of surface area of the film can be applied. Since the proposed equation does not include the interaction of wetness gradients with neighboring pinholes, the distance effect is investigated to estimate decreases in WVTR as the distance decreases between pinholes. An interactive, customized graphical user interface was created with ANSYS Parametric Design Language to make computational calculations user-friendly and widely available to researchers. Solution strategies of complete and unit cell runs, including standard and sub-modeling approaches, are proposed with advantages and disadvantages in computational time and accuracy of results.

中文翻译：

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用于柔性电子产品的无机超级屏障中针孔损伤引起的水蒸气透过率的有限元框架

这项工作提出了一个计算框架来预测气密屏障封装有机层中针孔分布的可能情况，以在很大程度上填补薄膜/有机电子器件中针孔损伤研究的缺乏。我们描述了各种场景，包括聚合物薄膜上不同尺寸和距离的多个针孔损坏。根据采用不同策略进行的计算实验，提出了 ALD 超级屏障封装的聚酰亚胺薄膜的水蒸气透过率方程。该方程的有效性涵盖了从 100 nm 到 2.2 mm 的针孔损伤，并且可以应用任何尺寸的薄膜表面积。由于所提出的方程不包括湿度梯度与相邻针孔的相互作用，因此研究了距离效应以估计 WVTR 随着针孔之间距离的减小而减小。使用 ANSYS 参数化设计语言创建了交互式、定制的图形用户界面，使计算计算变得用户友好并可供研究人员广泛使用。提出了完整和单元运行的解决策略，包括标准和子建模方法，在计算时间和结果准确性方面具有优点和缺点。