Visualization of four-dimensional X-ray absorption fine structure data using a virtual reality system

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 t...

Full description

Saved in:
Bibliographic Details
Main Authors: Haruo Igarashi, Daiki Kido, Yutaka Ishii, Yasuhiro Niwa, Atsushi Okamoto, Masao Kimura
Format: Article
Language:English
Published: International Union of Crystallography 2025-01-01
Series:Journal of Synchrotron Radiation
Subjects:
Online Access:https://journals.iucr.org/paper?S1600577524011226
Tags: Add Tag
No Tags, Be the first to tag this record!
_version_ 1841556095050448896
author Haruo Igarashi
Daiki Kido
Yutaka Ishii
Yasuhiro Niwa
Atsushi Okamoto
Masao Kimura
author_facet Haruo Igarashi
Daiki Kido
Yutaka Ishii
Yasuhiro Niwa
Atsushi Okamoto
Masao Kimura
author_sort Haruo Igarashi
collection DOAJ
description 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.
format Article
id doaj-art-6812e04478dd4df881dfc43ef1b3dc4d
institution Kabale University
issn 1600-5775
language English
publishDate 2025-01-01
publisher International Union of Crystallography
record_format Article
series Journal of Synchrotron Radiation
spelling doaj-art-6812e04478dd4df881dfc43ef1b3dc4d2025-01-07T14:26:38ZengInternational Union of CrystallographyJournal of Synchrotron Radiation1600-57752025-01-0132116217010.1107/S1600577524011226vy5033Visualization of four-dimensional X-ray absorption fine structure data using a virtual reality systemHaruo Igarashi0Daiki Kido1Yutaka Ishii2Yasuhiro Niwa3Atsushi Okamoto4Masao Kimura5School of Advanced Science and Engineering, Waseda University, Okubo, Shinjuku-ku, Tokyo 169-8555, JapanInstitute of Materials Structure Science, High Energy Accelerator Research Organization, 1-1 Oho, Tsukuba, Ibaraki 3050801, JapanDepartment of Mathematics, Kyushu University, Motooka, Fukuoka 819-0395, JapanInstitute of Materials Structure Science, High Energy Accelerator Research Organization, 1-1 Oho, Tsukuba, Ibaraki 3050801, JapanGraduate School of Environmental Studies, Tohoku University, Sendai, Miyagi 980-8579, JapanInstitute of Materials Structure Science, High Energy Accelerator Research Organization, 1-1 Oho, Tsukuba, Ibaraki 3050801, JapanX-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.https://journals.iucr.org/paper?S1600577524011226spectromicroscopymultidimensional datavirtual realityx-ray absorption fine structures4d-xasview
spellingShingle Haruo Igarashi
Daiki Kido
Yutaka Ishii
Yasuhiro Niwa
Atsushi Okamoto
Masao Kimura
Visualization of four-dimensional X-ray absorption fine structure data using a virtual reality system
Journal of Synchrotron Radiation
spectromicroscopy
multidimensional data
virtual reality
x-ray absorption fine structures
4d-xasview
title Visualization of four-dimensional X-ray absorption fine structure data using a virtual reality system
title_full Visualization of four-dimensional X-ray absorption fine structure data using a virtual reality system
title_fullStr Visualization of four-dimensional X-ray absorption fine structure data using a virtual reality system
title_full_unstemmed Visualization of four-dimensional X-ray absorption fine structure data using a virtual reality system
title_short Visualization of four-dimensional X-ray absorption fine structure data using a virtual reality system
title_sort visualization of four dimensional x ray absorption fine structure data using a virtual reality system
topic spectromicroscopy
multidimensional data
virtual reality
x-ray absorption fine structures
4d-xasview
url https://journals.iucr.org/paper?S1600577524011226
work_keys_str_mv AT haruoigarashi visualizationoffourdimensionalxrayabsorptionfinestructuredatausingavirtualrealitysystem
AT daikikido visualizationoffourdimensionalxrayabsorptionfinestructuredatausingavirtualrealitysystem
AT yutakaishii visualizationoffourdimensionalxrayabsorptionfinestructuredatausingavirtualrealitysystem
AT yasuhironiwa visualizationoffourdimensionalxrayabsorptionfinestructuredatausingavirtualrealitysystem
AT atsushiokamoto visualizationoffourdimensionalxrayabsorptionfinestructuredatausingavirtualrealitysystem
AT masaokimura visualizationoffourdimensionalxrayabsorptionfinestructuredatausingavirtualrealitysystem