Thermodynamic analysis of the Fe-Mn-P ternary phase diagram by combining the first-principles and CALPHAD methods

T. Tokunaga, N. Hanaya, H. Ohtani, M. Hasebe

Research output: Chapter in Book/Report/Conference proceedingConference contribution

8 Citations (Scopus)

Abstract

A thermodynamic analysis of the Fe-Mn-P ternary system has been carried out using the CALPHAD method. Among the three binary systems relevant to this ternary phase diagram, the thermodynamic parameters of the Mn-P binary system were evaluated in this study. The enthalpy of formation of the binary phosphides obtained from our first-principles calculations was utilized in the present analysis to compensate for the lack of available experimental data. The thermodynamic descriptions of the Fe-Mn and Fe-P binary systems were taken from previous studies. The phase equilibria in the Fe-Mn-P ternary system were analysed based on the experimental data on the phase boundaries. The calculated phase diagrams are in agreement with the experimental results.

Original languageEnglish
Title of host publicationSelected, peer reviewed papers from The Sixth Pacific Rim International Conference on Advanced Materials and Processing, PRICM 6
PublisherTrans Tech Publications Ltd
Pages1899-1902
Number of pages4
EditionPART 3
ISBN (Print)0878494626, 9780878494620
DOIs
Publication statusPublished - 2007 Jan 1
Externally publishedYes
Event6th Pacific Rim International Conference on Advanced Materials and Processing, PRICM 6 - Jeju, Korea, Republic of
Duration: 2007 Nov 52007 Nov 9

Publication series

NameMaterials Science Forum
NumberPART 3
Volume561-565
ISSN (Print)0255-5476
ISSN (Electronic)1662-9752

Other

Other6th Pacific Rim International Conference on Advanced Materials and Processing, PRICM 6
CountryKorea, Republic of
CityJeju
Period07/11/507/11/9

Keywords

  • CALPHAD
  • First-principles calculations
  • Iron-manganese-phosphorus
  • Phase equilibria

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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    Tokunaga, T., Hanaya, N., Ohtani, H., & Hasebe, M. (2007). Thermodynamic analysis of the Fe-Mn-P ternary phase diagram by combining the first-principles and CALPHAD methods. In Selected, peer reviewed papers from The Sixth Pacific Rim International Conference on Advanced Materials and Processing, PRICM 6 (PART 3 ed., pp. 1899-1902). (Materials Science Forum; Vol. 561-565, No. PART 3). Trans Tech Publications Ltd. https://doi.org/10.4028/0-87849-462-6.1899