Javier E Santos, Agnese Marcato, Qinjun Kang, Mohamed Mehana, Daniel O’Malley, Hari Viswanathan, Nicholas Lubbers
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引用次数: 0
Abstract
Modeling effective transport properties of 3D porous media, such as permeability, at multiple scales is challenging as a result of the combined complexity of the pore structures and fluid physics—in particular, confinement effects which vary across the nanoscale to the microscale. While numerical simulation is possible, the computational cost is prohibitive for realistic domains, which are large and complex. Although machine learning (ML) models have been proposed to circumvent simulation, none so far has simultaneously accounted for heterogeneous 3D structures, fluid confinement effects, and multiple simulation resolutions. By utilizing numerous computer science techniques to improve the scalability of training, we have for the first time developed a general flow model that accounts for the pore-structure and corresponding physical phenomena at scales from Angstrom to the micrometer. Using synthetic computational domains for training, our ML model exhibits strong performance (R2 = 0.9) when tested on extremely diverse real domains at multiple scales.
由于孔隙结构和流体物理--尤其是从纳米尺度到微米尺度各不相同的约束效应--的综合复杂性,对三维多孔介质的有效传输特性(如渗透性)进行多尺度建模极具挑战性。虽然可以进行数值模拟,但对于庞大而复杂的现实领域来说,计算成本过高。虽然已经提出了机器学习(ML)模型来规避模拟,但迄今为止还没有一个模型能同时考虑异质三维结构、流体约束效应和多种模拟分辨率。通过利用大量计算机科学技术来提高训练的可扩展性,我们首次开发了一种通用流动模型,该模型考虑了从埃到微米尺度上的孔隙结构和相应的物理现象。我们的 ML 模型使用合成计算域进行训练,在多种尺度的极其多样化的真实域上进行测试时,表现出很强的性能(R2 = 0.9)。
期刊介绍:
Machine Learning Science and Technology is a multidisciplinary open access journal that bridges the application of machine learning across the sciences with advances in machine learning methods and theory as motivated by physical insights. Specifically, articles must fall into one of the following categories: advance the state of machine learning-driven applications in the sciences or make conceptual, methodological or theoretical advances in machine learning with applications to, inspiration from, or motivated by scientific problems.