Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (σ) Phase in the Co-Cr-Ni-Re System
Júlio César Pereira dos Santos, Sean Griesemer, Nathalie Dupin, Ursula R. Kattner, Chuan Liu, Daniela Ivanova, Thomas Hammerschmidt, Suzana G. Fries, Chris Wolverton, Carelyn E. Campbell
Journal of Phase Equilibria and Diffusion 45 (3) 330-357 (2023) · Springer Science and Business Media LLC
DOI: 10.1007/s11669-023-01079-3
Data: JSON record · id doi:10.1007/s11669-023-01079-3 · metadata: crossref
Roles in ORCHID
- read by ORCHID (values extracted): 162 released values
- assessment behind a TDB file: CoCr-24Per.tdb (Co–Cr), CoNi-24Per.tdb (Co–Ni), CoRe-24Per.tdb (Co–Re), CrNi-24Per.tdb (Cr–Ni), CrRe-24Per.tdb (Cr–Re), NiRe-24Per.tdb (Ni–Re)
- discovery lead (found by Crossref assessment discovery, not read): rank 2672, score 61; systems named in title: Co–Cr–Ni–Re
Systems
Cr, Ni, Re, Co–Cr, Co–Ni, Co–Re, Cr–Ni, Cr–Re, Ni–Re, Co–Cr–Ni–Re
Evidence in ORCHID
162 values read from this paper (162 accepted), from 1 tables and 0 text passages.
| dft | 128 |
| model | 34 |
| mixing / partial | 128 |
| activity / EMF / Gibbs energy | 34 |
Phase-registry phases citing it: phase:co-cr:bcc-a2, phase:co-cr:d8b-sigma, phase:co-cr:dis-sig, phase:co-cr:fcc-a1, phase:co-cr:hcp-a3, phase:co-cr:liquid, phase:co-ni:bcc-a2, phase:co-ni:d8b-sigma, phase:co-ni:dis-sig, phase:co-ni:fcc-a1, phase:co-ni:hcp-a3, phase:co-ni:liquid, phase:co-re:bcc-a2, phase:co-re:d8b-sigma, phase:co-re:dis-sig, phase:co-re:fcc-a1, phase:co-re:hcp-a3, phase:co-re:liquid, phase:cr-ni:bcc-a2, phase:cr-ni:d8b-sigma …
Availability
Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 12 (retrieved 2026-10-23).
Relations
Cited by (Crossref reference lists) (5)
- Predicting hydrogen storage capacity loss of FeTi by ab initio thermodynamic modelling of Fe–Ti–Si phase equilibria (2025) [crossref_reference_list]
- The SGTE collection of binary datasets (2025) [crossref_reference_list]
- Thermodynamic modelling of the Al–Ni–V system (2025) [crossref_reference_list]
- Applying the Effective Bond Energy Formalism (EBEF) to describe the mu (μ) and sigma (σ) phases in the Co-Cr-Ni-W system (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]
References (Crossref, publisher-deposited) (44)
- The Cr−Re phase diagram (1999) [crossref_reference_list]
- Experimental Determination of Phase Equilibria in the Co-Cr-Ni System (2014) [crossref_reference_list]
- A thermodynamic evaluation of the iron — vanadium system (1983) [crossref_reference_list]
- Thermodynamic properties of the CrFe system (1987) [crossref_reference_list]
- A Thermodynamic Analysis of the Mn-V And Fe-Mn-V Systems (1991) [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]
- Ab initio lattice stabilities of some elemental complex structures (2006) [crossref_reference_list]
- Ab initio and thermodynamic study of the Cr–Re system (2010) [crossref_reference_list]
- An improved thermodynamic modeling of the Fe–Cr system down to zero kelvin coupled with key experiments (2011) [crossref_reference_list]
- CALPHAD description of the Mo–Re system focused on the sigma phase modeling (2013) [crossref_reference_list]
- Assessment of the atomic mobility for the fcc phase of Ni–Co–X (X=Re and Ru) system (2014) [crossref_reference_list]
- Thermodynamic re-assessment of the Co–Cr system supported by first-principles calculations (2016) [crossref_reference_list]
- Thermodynamic re-assessment of the Al-Co-W system (2017) [crossref_reference_list]
- Thermodynamic re-assessment of the Re–X (X=Al, Co, Cr, Ta) binary systems (2018) [crossref_reference_list]
- Thermodynamic assessment of the Co-Ta system (2019) [crossref_reference_list]
- Isothermal sections of the Co-Re-Ta phase diagram at 1200 and 1375 K (2019) [crossref_reference_list]
- Structural stability of Co–V intermetallic phases and thermodynamic description of the Co–V system (2020) [crossref_reference_list]
- Thermodynamic assessment of the Co–Cr–Ni, Co–Cr–W and Co–Ni–W (2021) [crossref_reference_list]
- Thermodynamic modeling of the Al–Nb–V system (2021) [crossref_reference_list]
- AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations (2012) [crossref_reference_list]
- Thermodynamic analysis of the topologically close packed σ phase in the Co Cr system (2019) [crossref_reference_list]
- Thermodynamic description of the systems Co–Nb, Al–Nb and Co–Al–Nb (2015) [crossref_reference_list]
- Thermodynamic modelling of the σ and μ phases in several ternary systems containing Co, Cr, Fe, Mo, Re and W (2020) [crossref_reference_list]
- Experimental investigation and thermodynamic assessment of phase equilibria in the Al-Co-Ta ternary system (2022) [crossref_reference_list]
- Experimental determination and thermodynamic modeling of the Ni–Re binary system (2012) [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]
- A thermodynamic description of the Ni–Al–Cr–Re system (1999) [crossref_reference_list]
- Thermodynamic evaluation of the Mo–Ru system (2000) [crossref_reference_list]
- Some experiences modelling the sigma phase in the Ni–V system (2001) [crossref_reference_list]
- Thermodynamic analysis of the Cr–Re system and prediction of the Cr–Ni–Re system (1998) [crossref_reference_list]
- Evaluation of the thermodynamic properties of the Re–Ta and Re–W systems (2000) [crossref_reference_list]
- Direct evidence of magnetically induced phase separation in the fcc phase and thermodynamic calculations of phase equilibria of the Co–Cr system (2002) [crossref_reference_list]
- Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]
- The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies (2015) [crossref_reference_list]
- Commentary: The Materials Project: A materials genome approach to accelerating materials innovation (2013) [crossref_reference_list]
- Efficient iterative schemes for <i>ab initio</i> total-energy calculations using a plane-wave basis set (1996) [crossref_reference_list]
- Using Re-W σ-phase first-principles results in the Bragg-Williams approximation to calculate finite-temperature thermodynamic properties (2002) [crossref_reference_list]
- Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]
- A thermodynamic assessment of the Co-V system (2003) [crossref_reference_list]
- Assessment of the Thermodynamic Properties of the Ni-Co System (1987) [crossref_reference_list]
- Implementation of an Effective Bond Energy Formalism in the Multicomponent Calphad Approach (2018) [crossref_reference_list]
Cites (values carry this citation) (5)
- SGTE data for pure elements (1991) — 34 values [orchid_extraction]
- The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies (2015) — 32 values [orchid_extraction]
- Ab initio lattice stabilities of some elemental complex structures (2006) — 24 values [orchid_extraction]
- AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations (2012) — 24 values [orchid_extraction]
- Commentary: The Materials Project: A materials genome approach to accelerating materials innovation (2013) — 24 values [orchid_extraction]
TDB files modelling its system (6)
tdb:CoCr-24Per.tdb[sgte_tdb_header]tdb:CoNi-24Per.tdb[sgte_tdb_header]tdb:CoRe-24Per.tdb[sgte_tdb_header]tdb:CrNi-24Per.tdb[sgte_tdb_header]tdb:CrRe-24Per.tdb[sgte_tdb_header]tdb:NiRe-24Per.tdb[sgte_tdb_header]
Reassesses (cites an earlier assessment of the same system) (12)
- On the stability of Cr carbides (1992) [citation+same-system]
- Ab initio and thermodynamic study of the Cr–Re system (2010) [citation+same-system]
- Assessment of the atomic mobility for the fcc phase of Ni–Co–X (X=Re and Ru) system (2014) [citation+same-system]
- Thermodynamic re-assessment of the Co–Cr system supported by first-principles calculations (2016) [citation+same-system]
- Thermodynamic re-assessment of the Re–X (X=Al, Co, Cr, Ta) binary systems (2018) [citation+same-system]
- Thermodynamic analysis of the topologically close packed σ phase in the Co Cr system (2019) [citation+same-system]
- Thermodynamic modelling of the σ and μ phases in several ternary systems containing Co, Cr, Fe, Mo, Re and W (2020) [citation+same-system]
- Experimental determination and thermodynamic modeling of the Ni–Re binary system (2012) [citation+same-system]
- A thermodynamic description of the Ni–Al–Cr–Re system (1999) [citation+same-system]
- Thermodynamic analysis of the Cr–Re system and prediction of the Cr–Ni–Re system (1998) [citation+same-system]
- Direct evidence of magnetically induced phase separation in the fcc phase and thermodynamic calculations of phase equilibria of the Co–Cr system (2002) [citation+same-system]
- Assessment of the Thermodynamic Properties of the Ni-Co System (1987) [citation+same-system]
Data papers used (5)
- SGTE data for pure elements (1991) — 34 values [orchid_extraction]
- The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies (2015) — 32 values [orchid_extraction]
- Ab initio lattice stabilities of some elemental complex structures (2006) — 24 values [orchid_extraction]
- AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations (2012) — 24 values [orchid_extraction]
- Commentary: The Materials Project: A materials genome approach to accelerating materials innovation (2013) — 24 values [orchid_extraction]