kth.sePublications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Data-Driven Design of Mechanically Hard Soft Magnetic High-Entropy Alloys
Tech Univ Darmstadt, Inst Mat Sci, Alarich Weiss Str 16, Darmstadt, Germany.
Tech Univ Darmstadt, Inst Mat Sci, Alarich Weiss Str 16, Darmstadt, Germany.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Properties.
Show others and affiliations
2025 (English)In: Advanced Science, E-ISSN 2198-3844Article in journal (Refereed) Epub ahead of print
Abstract [en]

The design and optimization of mechanically hard soft magnetic materials, which combine high hardness with magnetically soft properties, represent a critical frontier in materials science for advanced technological applications. To address this challenge, a data-driven framework is presented for exploring the vast compositional space of high-entropy alloys (HEAs) and identifying candidates optimized for multifunctionality. The study employs a comprehensive dataset of 1 842 628 density functional theory calculations, comprising 45 886 quaternary and 414 771 quinary equimolar HEAs derived from 42 elements. Using ensemble learning, predictive models are integrated to capture the relationships between composition, crystal structure, mechanical, and magnetic properties. This framework offers a robust pathway for accelerating the discovery of next-generation alloys with high hardness and magnetic softness, highlighting the transformative impact of data-driven strategies in material design.

Place, publisher, year, edition, pages
Wiley , 2025.
Keywords [en]
density functional theory, high-entropy alloys, high-throughput calculations, machine learning, mechanically hard soft magnets
National Category
Other Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-362798DOI: 10.1002/advs.202500867ISI: 2-s2.0-105001594285PubMedID: 40135718Scopus ID: 2-s2.0-105001594285OAI: oai:DiVA.org:kth-362798DiVA, id: diva2:1954667
Note

QC 20250425

Available from: 2025-04-25 Created: 2025-04-25 Last updated: 2025-04-25Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full textPubMedScopus

Authority records

Li, XiaoqingSchönecker, Stephan

Search in DiVA

By author/editor
Li, XiaoqingSchönecker, StephanShen, Chen
By organisation
Properties
In the same journal
Advanced Science
Other Materials Engineering

Search outside of DiVA

GoogleGoogle Scholar

doi
pubmed
urn-nbn

Altmetric score

doi
pubmed
urn-nbn
Total: 10 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf