Why is EXAFS analysis for multicomponent metals so hard? Challenges and opportunities for measuring ordering in complex concentrated alloys using x-ray absorption spectroscopy

Abstract

Short range order is a critical driver of properties (e.g. corrosion resistance and tensile strength) in multicomponent alloys such as complex concentrated alloys (CCAs). Extended x-ray absorption fine structure (EXAFS) is a powerful technique well suited for quantifying this short range order.Here, we described in detail the characteristics of CCAs that make the already challenging task of analyzing EXAFS data even more difficult. We then illustrate novel paths towards robust and scalable quantitative SRO analysis which will accelerate the scientific understanding and development of CCAs.

Cited by in corpus (3)

• An experimental high-throughput to high-fidelity study towards discovering Al-Cr containing corrosion-resistant compositionally complex alloys
• Accelerating the discovery of low-energy structure configurations: a computational approach that integrates first-principles calculations, Monte Carlo sampling, and Machine Learning
• Benchmarking CHGNet Universal Machine Learning Interatomic Potential Against DFT and EXAFS: Case of Layered WS2 and MoS2