CALPHAD modeling based on Gibbs energy functions from zero kevin and improved magnetic model: A case study on the Cr–Ni system

Liangyan Hao, Andrei Ruban, Wei Xiong

Calphad 73 102268 (2021) · Elsevier BV

DOI: 10.1016/j.calphad.2021.102268

Data: JSON record · id doi:10.1016/j.calphad.2021.102268 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 26 released values
• assessment behind a TDB file: CrNi-21Hao-3g.tdb (Cr–Ni)

Systems

Ni, Cr–Ni

Evidence in ORCHID

26 values read from this paper (22 accepted), from 1 tables and 14 text passages.

Phase-registry phases citing it: phase:cr-ni:bcc-a2, phase:cr-ni:crni2, phase:cr-ni:fcc-a1, phase:cr-ni:liquid

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 28 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (10)

• A thermodynamic description for the Co–Cr–Fe–Mn–Ni system (2022) [crossref_reference_list]
• Third Generation Calphad for Key Elements (2024) [crossref_reference_list]
• Application of Third-Generation CALPHAD to Elemental Hf, Binary Reassessments and Prediction of the Ternary Hf–Nb–Zr System (2026) [crossref_reference_list]
• Simulation of BCC dissolution in Fe–Cr–Ni system by ICME (2022) [crossref_reference_list]
• Third generation Calphad: Thermodynamic assessment of the Ni-Ga system with physics-based models (2025) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• Experimental investigation of phase equilibria in the Co-Cr-Re, Cr-Ni-Re and Co-Ni-Re systems (2026) [crossref_reference_list]
• Additively manufactured Ni-20Cr to V functionally graded material: Computational predictions and experimental verification of phase formations (2024) [crossref_reference_list]
• Third-Generation Thermodynamic Descriptions for Ta-Cr and Ta-V Binary Systems (2022) [crossref_reference_list]
• Third-Generation CALPHAD Modeling of Elemental Nb and Zr and Partial Re-Assessment of Their Binary Phase Diagram (2024) [crossref_reference_list]

References (Crossref, publisher-deposited) (26)

• Specific heat of high purity nickel single crystal near the critical temperature (1978) [crossref_reference_list]
• Die spezifische Wärme von Eisen, Kobalt und Nickel im Bereich hoher Temperaturen (1965) [crossref_reference_list]
• Thermodynamic evaluation of the Cr-Ni-C system (1990) [crossref_reference_list]
• Physical contributions to the heat capacity of nickel (1981) [crossref_reference_list]
• A thermodynamic analysis of the fe-cr system (1982) [crossref_reference_list]
• The Thermo-Calc databank system (1985) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• On the stability of Cr carbides (1992) [crossref_reference_list]
• Ab initio lattice stability in comparison with CALPHAD lattice stability (2004) [crossref_reference_list]
• Modeling of Ni–Cr–Mo based alloys: Part I—phase stability (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]
• An improved magnetic model for thermodynamic modeling (2012) [crossref_reference_list]
• Using the PARROT module of Thermo-Calc with the Cr–Ni system as example (2016) [crossref_reference_list]
• A thermodynamic assessment of the binary Fe-Mn system for the third generation of Calphad databases (2019) [crossref_reference_list]
• Use of third generation data for the elements to model the thermodynamics of binary alloy systems: Part 1 – The critical assessment of data for the Al-Zn system (2020) [crossref_reference_list]
• A new thermodynamic modeling of the Ti–V system including the metastable ω phase (2020) [crossref_reference_list]
• Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]
• Phase Equilibria and Thermodynamic Properties in the Fe-Cr System (2010) [crossref_reference_list]
• XLIV.<i>The temperature variation of the thermoelectric properties and the specific heat of nickel-chromium alloys</i> (1934) [crossref_reference_list]
• The magnetization of face-centred cubic and body-centred cubic iron + nickel alloys (1963) [crossref_reference_list]
• Anomalies in the Elastic Constants and Thermal Expansion of Chromium Single Crystals (1963) [crossref_reference_list]
• Detailed Magnetic Behavior of Nickel Near its Curie Point (1964) [crossref_reference_list]
• Measurement of the thermal-expansion coefficient of nickel from 300 to 1000 K and determination of the power-law constants near the Curie temperature (1977) [crossref_reference_list]
• Curie temperatures of fcc and bcc nickel and permalloy: Supercell and Green’s function methods (2008) [crossref_reference_list]
• A neutron-diffraction study of very pure chromium (1961) [crossref_reference_list]
• Forced Volume Magnetostriction of Ni-Cr Alloys (1981) [crossref_reference_list]

Cites (values carry this citation) (10)

• SGTE data for pure elements (1991) — 2 values [orchid_extraction]
• The magnetization of face-centred cubic and body-centred cubic iron + nickel alloys (1963) — 2 values [orchid_extraction]
• Specific heat of high purity nickel single crystal near the critical temperature (1978) — 1 values [orchid_extraction]
• Physical contributions to the heat capacity of nickel (1981) — 1 values [orchid_extraction]
• A thermodynamic analysis of the fe-cr system (1982) — 1 values [orchid_extraction]
• XLIV.<i>The temperature variation of the thermoelectric properties and the specific heat of nickel-chromium alloys</i> (1934) — 1 values [orchid_extraction]
• Detailed Magnetic Behavior of Nickel Near its Curie Point (1964) — 1 values [orchid_extraction]
• Measurement of the thermal-expansion coefficient of nickel from 300 to 1000 K and determination of the power-law constants near the Curie temperature (1977) — 1 values [orchid_extraction]
• Curie temperatures of fcc and bcc nickel and permalloy: Supercell and Green’s function methods (2008) — 1 values [orchid_extraction]
• Forced Volume Magnetostriction of Ni-Cr Alloys (1981) — 1 values [orchid_extraction]

TDB files modelling its system (1)

• tdb:CrNi-21Hao-3g.tdb [sgte_tdb_header]

Reassesses (cites an earlier assessment of the same system) (2)

• On the stability of Cr carbides (1992) [citation+same-system]
• Using the PARROT module of Thermo-Calc with the Cr–Ni system as example (2016) [citation+same-system]

Data papers used (10)

• SGTE data for pure elements (1991) — 2 values [orchid_extraction]
• The magnetization of face-centred cubic and body-centred cubic iron + nickel alloys (1963) — 2 values [orchid_extraction]
• Specific heat of high purity nickel single crystal near the critical temperature (1978) — 1 values [orchid_extraction]
• Physical contributions to the heat capacity of nickel (1981) — 1 values [orchid_extraction]
• A thermodynamic analysis of the fe-cr system (1982) — 1 values [orchid_extraction]
• XLIV.<i>The temperature variation of the thermoelectric properties and the specific heat of nickel-chromium alloys</i> (1934) — 1 values [orchid_extraction]
• Detailed Magnetic Behavior of Nickel Near its Curie Point (1964) — 1 values [orchid_extraction]
• Measurement of the thermal-expansion coefficient of nickel from 300 to 1000 K and determination of the power-law constants near the Curie temperature (1977) — 1 values [orchid_extraction]
• Curie temperatures of fcc and bcc nickel and permalloy: Supercell and Green’s function methods (2008) — 1 values [orchid_extraction]
• Forced Volume Magnetostriction of Ni-Cr Alloys (1981) — 1 values [orchid_extraction]