Igarashi Haruo, Kido Daiki, Ishii Yutaka, Niwa Yasuhiro, Okamoto Atsushi, Kimura Masao
School of Advanced Science and Engineering, Waseda University, Okubo, Shinjuku-ku, Tokyo 169-8555, Japan.
Institute of Materials Structure Science, High Energy Accelerator Research Organization, 1-1 Oho, Tsukuba, Ibaraki 3050801, Japan.
J Synchrotron Radiat. 2025 Jan 1;32(Pt 1):162-170. doi: 10.1107/S1600577524011226.
X-ray spectromicroscopy is extensively utilized for nondestructive mapping of chemical states in materials. However, understanding and analyzing the geometric and topological aspects of such data pose challenges due to their representation in 4D space, encompassing (x, y, z) coordinates along with the energy (E) axis and often extending to 5D space with the inclusion of time (t) or reaction degree. In this study, we addressed this challenge by developing a new approach and introducing a device named 4D-XASView', specifically designed for visualizing X-ray absorption fine structures (XAFS) data in 4D (comprising 3D space and energy), through a multi-projection system, within the virtual reality (VR) environment. As a test case for the new system, X-ray spectromicroscopy measurements were conducted on a specimen prepared from serpentinized harzburgite sourced from the upper mantle section of the Oman ophiolite. Our 4D-XASView facilitates the visualization and analysis of the geometric and topological aspects of the data using VR goggles, enabling detailed exploration of microstructures via rotation and zooming functionalities. This capability allows us to extract XAFS spectral data by selecting specific positions and regions, thereby aiding in the identification of trigger sites' (magnetite in serpentine), which are characteristic locations within materials that substantially influence the macroscopic propagation of reactions. Our methodology establishes a new platform for analyzing 4D or 5D XAFS data that has applicability potential in various other multidimensional datasets, including microstructures coupled with spectroscopy and diffraction data.
X射线光谱显微镜被广泛用于材料中化学状态的无损映射。然而，由于此类数据在4D空间中的表示形式（包括沿能量（E）轴的（x，y，z）坐标，并且通常随着时间（t）或反应程度的加入扩展到5D空间），理解和分析这些数据的几何和拓扑方面存在挑战。在本研究中，我们通过开发一种新方法并引入一种名为“4D-XASView”的设备来应对这一挑战，该设备专门设计用于通过多投影系统在虚拟现实（VR）环境中可视化4D（包括3D空间和能量）中的X射线吸收精细结构（XAFS）数据。作为新系统的一个测试案例，对由来自阿曼蛇绿岩上地幔部分的蛇纹石化方辉橄榄岩制备的样品进行了X射线光谱显微镜测量。我们的4D-XASView使用VR护目镜促进了数据几何和拓扑方面的可视化和分析，通过旋转和缩放功能能够详细探索微观结构。这种能力使我们能够通过选择特定位置和区域提取XAFS光谱数据，从而有助于识别“触发位点”（蛇纹石中的磁铁矿），这些是材料中对反应宏观传播有重大影响的特征位置。我们的方法建立了一个用于分析4D或5D XAFS数据的新平台，该平台在各种其他多维数据集中具有应用潜力，包括与光谱学和衍射数据相结合的微观结构。
