# Thermodynamic assessment of the Cr–Si binary system

https://mdr.nims.go.jp/datasets/a5303dcb-9853-4bd5-9e4a-f606f90a420f

## File

- [240320_Cr-Si_Manuscript.pdf](https://mdr.nims.go.jp/filesets/01d6eae7-fbd5-4d0b-9e40-72d60831ef6e/download) ([Detail](https://mdr.nims.go.jp/filesets/01d6eae7-fbd5-4d0b-9e40-72d60831ef6e.md))

## Id

a5303dcb-9853-4bd5-9e4a-f606f90a420f

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-12-25T07:02:15.856629Z

## Updated at

2024-12-25T23:41:51.113468Z

## Published at

2026-04-05T23:25:52.350661Z

## Doi

https://doi.org/10.48505/nims.5228

## First published url

https://doi.org/10.1016/j.calphad.2024.102690

## Date published

2024-04-06

## Recorded date published

2024-6

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: Thermodynamic assessment of the Cr–Si binary system
  title_type: original
  lang: en

## Description

- description: A thermodynamic evaluation of the Cr–Si system was performed concerning
    the latest experimental phase diagram and with the aid of first-principles calculations.
    The thermodynamic parameters for the Gibbs energy of pure Cr were modified based
    on the new experimental value of 1861 °C for the melting point of pure Cr, which
    was previously reported as 1907 °C in the SGTE database. The Gibbs energy descriptions
    of the Cr3Si and Cr5Si3 phases were revised using Cr3(Cr,Si)- and (Cr,Si)5Si3-type
    two-sublattice models to reproduce the latest experimental results of their solubility
    composition ranges, that is, Cr3Si extending toward the Cr-rich side and Cr5Si3
    extending toward the Si-rich side from the stoichiometry. The CrSi and CrSi2 phases
    were considered line compounds with no solubility range, and the solubility of
    Cr in the Si phase was ignored. A set of self-consistent thermodynamic parameters
    for the Cr–Si system was obtained using the CALPHAD technique. The phase diagrams
    calculated using the optimized parameters showed reasonable agreement with the
    latest phase equilibrium data and thermodynamic property data in the literature,
    including the enthalpy of mixing, formation enthalpy, and chemical potential diagrams
    of Cr and Si in the equilibrium phases.
  description_type: abstract
  lang: und

## Creator

- name: Kazushige Ioroi
  role: author
- name: Ikuo Ohnuma
  role: author
  orcid: https://orcid.org/0000-0003-4874-4941
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Xiao Xu
  role: author
- name: Ryosuke Kainuma
  role: author
- name: Toshihiro Omori
  role: author

## Contact agent



## Publisher

organization: Elsevier BV

## Managing organization



## Keyword

- subject: CALPHAD
  schema: not_defined
- subject: phase diagram
  schema: not_defined
- subject: high-temperature structural material
  schema: not_defined
- subject: lattice stability
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo

start_date: 2024-04-06
end_date: 2026-04-07

## Journal

- title: Calphad
  issn: '03645916'
  volume: '85'
  article_number: '102690'

## Conference



## Related item



## Funding

- funder_name: New Energy and Industrial Technology Development Organization
- identifier: JP20H00298
  funder_name: Japan Society for the Promotion of Science
- identifier: JPNP20004
  funder_name: Japan Society for the Promotion of Science

## Instrument



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## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



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## Fileset

- id: 01d6eae7-fbd5-4d0b-9e40-72d60831ef6e
  filename: 240320_Cr-Si_Manuscript.pdf
  content_type: application/pdf
  size: 1337264
  md5: e47f42ac3a1d31e2f0481e962415290a

## Thumbnail

fileset_id: 01d6eae7-fbd5-4d0b-9e40-72d60831ef6e
filename: 240320_Cr-Si_Manuscript.pdf