Revised thermodynamic description of the Fe-Cr system based on an improved sublattice model of the σ phase

Aurélie Jacob, Erwin Povoden-Karadeniz, Ernst Kozeschnik

Calphad 60 16-28 (2018) · Elsevier BV

DOI: 10.1016/j.calphad.2017.10.002

Data: JSON record · id doi:10.1016/j.calphad.2017.10.002 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 50 released values
• assessment behind a TDB file: CrFe-18Jac.tdb (Cr–Fe)

Systems

Fe, Cr–Fe

Evidence in ORCHID

50 values read from this paper (50 accepted), from 3 tables and 0 text passages.

ESPEI datasets derived: 3 (invariants/CR-FE/CrFe-18Jac.zpf-00.json …).

Phase-registry phases citing it: phase:cr-fe:bcc-a2, phase:cr-fe:d8b-sigma, phase:cr-fe:fcc-a1, phase:cr-fe:hcp-a3, phase:cr-fe:liquid

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): http://creativecommons.org/licenses/by-nc-nd/4.0/ (vor). Crossref is-referenced-by count: 97 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (14)

• A thermodynamic description for the Co–Cr–Fe–Mn–Ni system (2022) [crossref_reference_list]
• Professor Jan Vřešťál and His Contributions Towards the Implementing of Ab Initio Data into the CALPHAD Method and Extension of the Phase Diagram Calculations Down to 0 K (2019) [crossref_reference_list]
• Experimental Investigation of Phase Equilibria in the Fe-Cr-Si Ternary System (2020) [crossref_reference_list]
• Simulation of BCC dissolution in Fe–Cr–Ni system by ICME (2022) [crossref_reference_list]
• A thermodynamic description of the Co-Cr-Fe-Ni-V system for high-entropy alloy design (2019) [crossref_reference_list]
• Thermodynamic assessment of the Co–Cr–Fe system and atomic mobility study of its fcc phase (2023) [crossref_reference_list]
• Reassessment of low-temperature Gibbs energies of BCC and FCC in steel for T0-temperature evaluation (2023) [crossref_reference_list]
• Thermodynamic modeling of multicomponent MX phases (M= Nb,Ti,V; X=C,N) in steel (2025) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• Thermodynamic modeling of the Al-Co-Cr-Fe-Ni high entropy alloys supported by key experiments (2022) [crossref_reference_list]
• Phase equilibria of the Co-Cr-Mn ternary system at 700 ℃ (2023) [crossref_reference_list]
• Experimental study, first-principles calculation and thermodynamic modelling of the Cr–Fe–Nb–Sn–Zr quinary system for application as cladding materials in nuclear reactors. (2021) [crossref_reference_list]
• Phase Equilibria of the Fe–Cr–Er Ternary System in the Range 973–1273 K (2023) [crossref_reference_list]
• Etude expérimentale et modélisation thermodynamique de systèmes de delafossites à base de cuivre (2026) [crossref_reference_list]

References (Crossref, publisher-deposited) (13)

• A thermodynamic analysis of the fe-cr system (1982) [crossref_reference_list]
• Thermodynamic properties of the CrFe system (1987) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Ab initio lattice stabilities of some elemental complex structures (2006) [crossref_reference_list]
• An improved thermodynamic modeling of the Fe–Cr system down to zero kelvin coupled with key experiments (2011) [crossref_reference_list]
• Liquidus projection and thermodynamic modeling of the Cr-Fe-Nb ternary system (2016) [crossref_reference_list]
• Thermodynamic modeling of the Cu-Fe-Cr and Cu-Fe-Mn systems (2017) [crossref_reference_list]
• Crystal chemistry and Calphad modeling of the σ phase (2008) [crossref_reference_list]
• Workshop on thermodynamic modelling of solutions and alloys (1997) [crossref_reference_list]
• Some experiences modelling the sigma phase in the Ni–V system (2001) [crossref_reference_list]
• Phase Equilibria and Thermodynamic Properties in the Fe-Cr System (2010) [crossref_reference_list]
• From ultrasoft pseudopotentials to the projector augmented-wave method (1999) [crossref_reference_list]
• Atom distributions in sigma phases. I. Fe and Cr atom distributions in a binary sigma phase equilibrated at 1063, 1013 and 923 K (1983) [crossref_reference_list]

Cites (values carry this citation) (3)

• Phase Equilibria and Thermodynamic Properties in the Fe-Cr System (2010) — 3 values [orchid_extraction]
• Ab initio lattice stabilities of some elemental complex structures (2006) — 2 values [orchid_extraction]
• Atom distributions in sigma phases. I. Fe and Cr atom distributions in a binary sigma phase equilibrated at 1063, 1013 and 923 K (1983) — 2 values [orchid_extraction]

TDB files modelling its system (2)

• tdb:CrFe-18Jac.tdb [orchid_literature_model_link]
• tdb:CrFe-18Jac.tdb [sgte_tdb_header]

Reassessed by (2)

• Simulation of BCC dissolution in Fe–Cr–Ni system by ICME (2022) [citation+same-system]
• Experimental study, first-principles calculation and thermodynamic modelling of the Cr–Fe–Nb–Sn–Zr quinary system for application as cladding materials in nuclear reactors. (2021) [citation+same-system]

Reassesses (cites an earlier assessment of the same system) (3)

• A thermodynamic analysis of the fe-cr system (1982) [citation+same-system]
• Thermodynamic properties of the CrFe system (1987) [citation+same-system]
• An improved thermodynamic modeling of the Fe–Cr system down to zero kelvin coupled with key experiments (2011) [citation+same-system]

Data papers used (3)

• Phase Equilibria and Thermodynamic Properties in the Fe-Cr System (2010) — 3 values [orchid_extraction]
• Ab initio lattice stabilities of some elemental complex structures (2006) — 2 values [orchid_extraction]
• Atom distributions in sigma phases. I. Fe and Cr atom distributions in a binary sigma phase equilibrated at 1063, 1013 and 923 K (1983) — 2 values [orchid_extraction]