Efficient numerical simulations of fluid flow on the pore scale allow for the numerical estimation of effective material properties of porous media like effective permeability or tortuosity, among others. In contrast to time-consuming and often expensive laboratory tests, pore scale-resolved numerical simulations further enable the computational quantification of anisotropy of inherent material properties and the estimation of representative sample domains. Numerically calculated quantities are valuable in several fields, such as carbon dioxide sequestration, geothermal energy production and groundwater contamination remediation. Our specific pore scale-resolved simulation method directly based on images obtained from Micro X-Ray Computed Tomography (μXRCT) is based on the weakly compressible Smoothed Particle Hydrodynamics (SPH) approach. SPH is a meshless Lagrangian method, highly suitable for modeling complex geometries and flow at moderate Reynolds numbers. Low Reynolds number flow, also denoted as creeping flow, is a typical scenario present in the above mentioned applications. However, SPH is computationally demanding, especially in simulations of large domains. To overcome these difficulties, we have designed a specific SPH module for the highly optimized HOOMD-blue Molecular Dynamics software. Our implementation supports single-phase flow, and targets both CPU and GPU clusters. Due to the high computational demands, scalability is essential to make the software practically usable, and our tests indicate that our implementation can scale almost ideally. We study a wide variety of test cases, which are not only representative for XRCT-based geometries, but for pore scale-resolved flow simulations in general. Additionally, we present a large-scale simulation investigating an unconventional high porous volcanic rock sample (Reticulite).

Program summary

Program title:: HOOMD-Blue.sph

CPC Library link to program files:: https://doi.org/10.17632/zdnj8zsrf9.1

Licensing provisions:: BSD 3-Clause license

Programming language:: C++, CUDA, Python

Nature of problem:: Fluid flow simulation in XRCT imaged porous media for digital rock physics applications

Solution method:: Smoothed Particle Hydrodynamics

中文翻译：

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一个跨平台、高性能的 SPH 工具包，用于在多孔介质的孔隙尺度上进行基于图像的流动模拟

孔隙尺度上流体流动的有效数值模拟允许对多孔介质的有效材料特性进行数值估计，例如有效渗透率或弯曲度等。与耗时且通常昂贵的实验室测试相比，孔隙尺度解析的数值模拟进一步使固有材料特性的各向异性的计算量化和代表性样品域的估计成为可能。数值计算的数量在多个领域很有价值，例如二氧化碳封存、地热能生产和地下水污染补救。我们直接基于从微 X 射线计算机断层扫描 ( μ XRCT)获得的图像的特定孔隙尺度解析模拟方法基于弱可压缩平滑粒子流体动力学 (SPH) 方法。SPH 是一种无网格的拉格朗日方法，非常适合模拟复杂的几何形状和中等雷诺数下的流动。低雷诺数流，也称为蠕动流，是上述应用中的典型场景。然而，SPH 的计算要求很高，尤其是在大型域的模拟中。为了克服这些困难，我们为高度优化的 HOOMD-blue Molecular Dynamics 软件设计了一个特定的 SPH 模块。我们的实现支持单相流，并针对 CPU 和 GPU 集群。由于高计算需求，可扩展性对于使软件实际可用至关重要，我们的测试表明我们的实现几乎可以理想地扩展。我们研究了各种各样的测试案例，这些案例不仅代表基于 XRCT 的几何形状，而且还适用于一般的孔隙尺度解析流动模拟。此外，

程序概要

程序名称:: HOOMD-Blue.sph

CPC 库程序文件链接： https : //doi.org/10.17632/zdnj8zsrf9.1

许可条款:: BSD 3-Clause license

编程语言:: C++、CUDA、Python

问题性质：用于数字岩石物理应用的 XRCT 成像多孔介质中的流体流动模拟

求解方法::平滑粒子流体动力学