# An explicit integration approach for predicting the microstructures of multicomponent alloys

https://mdr.nims.go.jp/datasets/e0c1141a-af07-45f1-bffa-4a18f2f9ee70

## File

- [Nature_communications_s41467-025-61246-7 (2).pdf](https://mdr.nims.go.jp/filesets/79a314d2-3a98-4549-bfd1-0030d1d9df2c/download) ([Detail](https://mdr.nims.go.jp/filesets/79a314d2-3a98-4549-bfd1-0030d1d9df2c.md))

## Id

e0c1141a-af07-45f1-bffa-4a18f2f9ee70

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2026-01-22T04:11:19.192124Z

## Updated at

2026-01-22T06:26:05.081541Z

## Published at

2026-01-22T07:23:54.172932Z

## Doi



## First published url

https://doi.org/10.1038/s41467-025-61246-7

## Date published

2025-07-15

## Recorded date published



## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: An explicit integration approach for predicting the microstructures of multicomponent
    alloys
  title_type: original
  lang: en

## Description

- description: 'Advancing materials science requires understanding and controlling
    microstructure formation in multicomponent, multiphase materials. The phase-field
    method coupled with CALPHAD free energy data is promising but faces computational
    challenges, particularly for multicomponent systems, due to two limiting conditions:
    the equal diffusion potential and internal equilibrium conditions. A previously
    developed direct CALPHAD coupling (DCC) model addressed the first condition but
    became unstable with many components. For the second condition, no explicit computational
    method existed for ordered phases with multiple sublattices. This study redefined
    the two conditions into a single function based on thermodynamics and incorporated
    it into the phase-field model as an explicit function. The new model efficiently
    handles up to 20 components within one minute, enabling microstructure predictions
    for complex materials.'
  description_type: abstract
  lang: und

## Creator

- name: Takumi Morino
  role: author
  orcid: https://orcid.org/0009-0005-0134-7713
- name: Machiko Ode
  role: author
  orcid: https://orcid.org/0000-0002-9500-5466
- name: Shoichi Hirosawa
  role: author
  orcid: https://orcid.org/0000-0002-6572-2552

## Contact agent



## Publisher

organization: Springer Science and Business Media LLC

## Managing organization



## Keyword

- subject: Phase-field model
  schema: not_defined
- subject: Multi-composnet alloy
  schema: not_defined
- subject: CALPHAD
  schema: not_defined
- subject: Microstructure
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by/4.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Nature Communications
  issn: '20411723'
  volume: '16'
  issue: '1'
  article_number: '6504'

## Conference



## Related item



## Funding

- identifier: 22K04794 (KAKENHI Grant)
  funder_name: JSPS

## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



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## Fileset

- id: 79a314d2-3a98-4549-bfd1-0030d1d9df2c
  filename: Nature_communications_s41467-025-61246-7 (2).pdf
  content_type: application/pdf
  size: 1056048
  md5: 3f1cc99d2e97eb2d49fc915fde8279dd

## Thumbnail

fileset_id: 79a314d2-3a98-4549-bfd1-0030d1d9df2c
filename: Nature_communications_s41467-025-61246-7 (2).pdf