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Main Authors: Morris, David, Yao, Yonggang, Zhang, Peng
Format: Preprint
Published: 2026
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Online Access:https://arxiv.org/abs/2602.18599
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author Morris, David
Yao, Yonggang
Zhang, Peng
author_facet Morris, David
Yao, Yonggang
Zhang, Peng
contents Local chemical order (LCO) is a key descriptor linking composition, atomic arrangement, and function in high-entropy alloys (HEAs), yet remains difficult to quantify. This Perspective highlights how X-ray absorption spectroscopy (XAS) provides element-specific, quantitative insight into LCO in complex alloys. We outline practical considerations for XAS data collection and fitting, including width of spectra range, multi-temperature analysis, and X-ray absorption edge choice for 5d elements. We then highlight a coordination-number-based framework for LCO analysis and use model HEAs to show how single-atom and near-single-atom motifs naturally emerge as component number increases, bridging HEAs and single-atom alloys. Finally, we identify priorities including standardized protocols, uncertainty quantification, expanded operando and time-resolved XAS, and integration with complementary characterization and modelling.
format Preprint
id arxiv_https___arxiv_org_abs_2602_18599
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle When Atoms Choose Their Neighbors: Element-Specific Views of Local Chemical Order in High-Entropy Alloys
Morris, David
Yao, Yonggang
Zhang, Peng
Materials Science
Local chemical order (LCO) is a key descriptor linking composition, atomic arrangement, and function in high-entropy alloys (HEAs), yet remains difficult to quantify. This Perspective highlights how X-ray absorption spectroscopy (XAS) provides element-specific, quantitative insight into LCO in complex alloys. We outline practical considerations for XAS data collection and fitting, including width of spectra range, multi-temperature analysis, and X-ray absorption edge choice for 5d elements. We then highlight a coordination-number-based framework for LCO analysis and use model HEAs to show how single-atom and near-single-atom motifs naturally emerge as component number increases, bridging HEAs and single-atom alloys. Finally, we identify priorities including standardized protocols, uncertainty quantification, expanded operando and time-resolved XAS, and integration with complementary characterization and modelling.
title When Atoms Choose Their Neighbors: Element-Specific Views of Local Chemical Order in High-Entropy Alloys
topic Materials Science
url https://arxiv.org/abs/2602.18599