Efficient reconstruction and validation of heterogeneous microstructures for energy applications
Efficient reconstruction and validation of heterogeneous microstructures for energy applications
复制标题
DOI：
10.1002/er.8578
复制
发表时间：
2022-09
影响因子：
4.6
通讯作者：
Andre Adam;Fangzhou Wang;Xianglin Li
中科院分区：
文献类型：
--
作者：
Andre Adam;Fangzhou Wang;Xianglin Li
微观结构的数字重建对于从地质学到电化学等领域的模拟是必要的，但最先进的数字重建技术往往在分辨率和视野之间妥协。在大规模重建中，保留详细的微观结构信息是一项挑战。本文研究了基于相关函数的Yeong - Torquato算法的不同方面，以提高其效率。我们通过降低弦长分布函数和两点相关函数的计算复杂度，应用随机球体填充方法作为初始条件，并限制潜在的体素交换到接口来实现这一目标。此外，还引入了一种新的叠加并行方案来帮助搜索潜在的体素交换。通过比较从透射X射线显微镜获得的样本数据集重建的3D定制电池电极的孔径分布，验证了所提出的算法。从具有200×200像素的样本图像中，代码可以在22小时内重建300×300×300结构，并在43小时内重建8个核心的400×400×400结构。
The digital reconstruction of microstructures is necessary for simulations in fields ranging from geology to electrochemistry, but the state‐of‐the‐art digital reconstruction techniques often compromise between resolution and field of view. It is challenging to retain detailed microstructure information in large‐scale reconstructions. This study investigates different aspects of the Yeong‐Torquato algorithm based on correlation functions to make it more efficient. We achieve this goal by reducing the computational complexity of the chord‐length distribution function and the two‐point correlation function, applying the random sphere‐packing method as the initial condition, and restricting potential voxel swaps to interfaces. In addition, a novel superposition parallel scheme is introduced to aid in searching for potential voxel swaps. The algorithm proposed is validated by comparing the pore‐size distributions of reconstructed 3D custom battery electrodes from a sample dataset obtained from transmission X‐ray microscopy. From a sample image with 200×200 pixels, the code can reconstruct a 300×300×300 structure in under 22 h and reconstruct a 400×400×400 structure in 43 h with eight cores.