# Direct CALPHAD coupling phase-field model: Closed-form expression for interface composition satisfying equal diffusion potential condition

https://mdr.nims.go.jp/datasets/c0579420-3090-4896-bf95-e2ef37f2842b

## File

- [Main text file_著者最終稿.docx](https://mdr.nims.go.jp/filesets/56027fb0-1c3e-4612-8ba5-e13a7734b74c/download) ([Detail](https://mdr.nims.go.jp/filesets/56027fb0-1c3e-4612-8ba5-e13a7734b74c.md))

## Id

c0579420-3090-4896-bf95-e2ef37f2842b

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-12-27T10:08:05.870418Z

## Updated at

2025-01-10T07:31:40.449939Z

## Published at

2025-01-10T07:31:40.542572Z

## Doi

https://doi.org/10.48505/nims.5266

## First published url

https://doi.org/10.1103/physreve.109.065303

## Date published

2024-06-10

## Recorded date published

2024-6

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: 'Direct CALPHAD coupling phase-field model: Closed-form expression for interface
    composition satisfying equal diffusion potential condition'
  title_type: original
  lang: en

## Description

- description: The integration of the phase-field method with CALculation of PHAse
    Diagrams (CALPHAD) free-energy datasets has significantly improved the prediction
    of microstructural evolution in practical alloys. We formulated two models to
    compute interfacial compositions, characterized by their high computational accuracy
    and efficiency. The inaugural model utilizes convergence calculations to fulfill
    the equal diffusion potential condition, while the subsequent model obviates the
    need for such calculations. Despite this, its computational outcomes strongly
    agree with those of the preceding model. Notably, in these models, the alteration
    in composition attributable to interfacial curvatures aligns with the Gibbs-Thomson
    effect within the equilibrium system. In this study, the solidification processes
    of Ni-Al-Cr and Ag-Cu-Sn alloys serve as case studies to underscore the computational
    precision and swiftness of the proposed models.
  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: American Physical Society (APS)

## Managing organization



## Keyword

- subject: Phase-field model
  schema: not_defined
- subject: CALPHAD
  schema: not_defined

## Rights

- description: "©2024 American Physical Society"
  identifier: http://rightsstatements.org/vocab/InC/1.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Physical Review E
  issn: '24700045'
  volume: '109'
  issue: '6'
  article_number: '065303'

## Conference



## Related item



## Funding

- identifier: 22K04794
  funder_name: Japan Society for the Promotion of Science
  description: フェーズフィールド法「エコ」ソフトウエアの開発と公開

## 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



## Software



## Custom property



## Fileset

- id: 56027fb0-1c3e-4612-8ba5-e13a7734b74c
  filename: Main text file_著者最終稿.docx
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  size: 1640712
  md5: 07a008ae43bd835715bafddfe8b7d491

## Thumbnail

fileset_id: 56027fb0-1c3e-4612-8ba5-e13a7734b74c
filename: Main text file_著者最終稿.docx