About this Abstract |
Meeting |
1st World Congress on Artificial Intelligence in Materials and Manufacturing (AIM 2022)
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Symposium
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First World Congress on Artificial Intelligence in Materials and Manufacturing (AIM 2022)
|
Presentation Title |
Automated and Intelligent Analysis of Extended X-Ray Absorption Fine Structure (EXAFS) and X-Ray Photoelectron Spectroscopy (XPS) |
Author(s) |
Miu Lun Lau, Jeff Terry, Min Long |
On-Site Speaker (Planned) |
Miu Lun Lau |
Abstract Scope |
We extend our Genetic Algorithms (GA) based software NEO<\I> to both EXAFS and XPS materials characterization data analysis for spectra related problems. We employ modular design of various crossover and mutation options, allowing the code to be extensible to different material characterization methods. In the case of EXAFS and XPS, the basic framework remains identical except for the unit of object function, where each fitting model is implemented differently. Our software has the capabilities to explore different parameters and structures of samples due to irradiation or annealing and measure their effects. Our results demonstrate optimal fitness scores with minimal human intervention for both crystalline and amorphous structures. We also apply our software to in-situ data of SnS2 batteries and observe the expected cycling behavior of bond distance in both Sn-Li and Sn-Sn scattering paths. |
Proceedings Inclusion? |
Undecided |