Thermodynamic Assessments of Ti-Al, Ti-Fe, and Ti-Al-Fe Systems with Four-Sublattice Description of Ordered Body-Centered Cubic Phase and Density Functional Theory Data

Zhi Liang, Ursula Kattner, Kamal Choudharry, Francesca Tavazza, Carelyn Campbell

Journal of Phase Equilibria and Diffusion 45 (3) 732-756 (2024) · Springer Science and Business Media LLC

DOI: 10.1007/s11669-024-01124-9

Data: JSON record · id doi:10.1007/s11669-024-01124-9 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 187 released values
• assessment behind a TDB file: AlTi-24Lia.tdb (Al–Ti), FeTi-24Lia.tdb (Fe–Ti)
• discovery lead (found by Crossref assessment discovery, not read): rank 200, score 117; systems named in title: Al–Fe–Ti

Systems

Fe, Ti, Al–Fe, Al–Ti, Fe–Ti, Al–Fe–Ti

Evidence in ORCHID

187 values read from this paper (187 accepted), from 7 tables and 0 text passages.

ESPEI datasets derived: 4 (dft/literature/AL-TI/AlTi-00Ohn.AL2TI.json …).

Phase-registry phases citing it: phase:al-ti:al11ti5-d023, phase:al-ti:al2ti, phase:al-ti:al3ti-d022, phase:al-ti:al5ti3, phase:al-ti:alti-l10, phase:al-ti:alti3-d019, phase:al-ti:bcc-4sl, phase:al-ti:bcc-a2, phase:al-ti:fcc-a1, phase:al-ti:hcp-a3, phase:al-ti:liquid, phase:fe-ti:bcc-4sl, phase:fe-ti:bcc-a2, phase:fe-ti:c14-laves, phase:fe-ti:fcc-a1, phase:fe-ti:hcp-a3, phase:fe-ti:liquid

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): https://creativecommons.org/licenses/by/4.0 (vor). Crossref is-referenced-by count: 17 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (3)

• Phase equilibria in the Fe–Sn–Ti system. Part 3: thermodynamic description (2025) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• Experimental phase equilibria and thermodynamic modeling of the Al–Co–Ti ternary system (2026) [crossref_reference_list]

References (Crossref, publisher-deposited) (17)

• Phase equilibria investigations on the aluminum-rich part of the binary system Ti-Al (2001) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Thermodynamic reassessment and calculation of FeTi phase diagram (1994) [crossref_reference_list]
• First-principles calculation of structural energetics of Al–TM (TM=Ti, Zr, Hf) intermetallics (2005) [crossref_reference_list]
• An assessment of the entire Al–Fe system including D03 ordering (2009) [crossref_reference_list]
• Thermodynamic modeling and optimization of the Fe–Ni–Ti system (2009) [crossref_reference_list]
• CALPHAD modeling and experimental assessment of Ti-Al-Mn ternary system (2018) [crossref_reference_list]
• Structural stability of Co–V intermetallic phases and thermodynamic description of the Co–V system (2020) [crossref_reference_list]
• First-principles studies of typical long-period superstructures Al5Ti3, h-Al2Ti and r-Al2Ti in Al-rich TiAl alloys (2011) [crossref_reference_list]
• AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations (2012) [crossref_reference_list]
• A RESTful API for exchanging materials data in the AFLOWLIB.org consortium (2014) [crossref_reference_list]
• The Al–B–Nb–Ti system (2008) [crossref_reference_list]
• Thermodynamic modeling of the Cr–Ni–Ti system using a four-sublattice model for ordered/disordered bcc phases (2014) [crossref_reference_list]
• Thermodynamic assessment of the Al-Ni system (1997) [crossref_reference_list]
• Phase equilibria in the Ti–Al binary system (2000) [crossref_reference_list]
• Efficient iterative schemes for <i>ab initio</i> total-energy calculations using a plane-wave basis set (1996) [crossref_reference_list]
• Reassessment of the binary Aluminum-Titanium phase diagram (2006) [crossref_reference_list]

Cites (values carry this citation) (7)

• Thermodynamic reassessment and calculation of FeTi phase diagram (1994) — 17 values [orchid_extraction]
• AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations (2012) — 10 values [orchid_extraction]
• A RESTful API for exchanging materials data in the AFLOWLIB.org consortium (2014) — 10 values [orchid_extraction]
• The Al–B–Nb–Ti system (2008) — 9 values [orchid_extraction]
• Thermodynamic modeling and optimization of the Fe–Ni–Ti system (2009) — 8 values [orchid_extraction]
• First-principles calculation of structural energetics of Al–TM (TM=Ti, Zr, Hf) intermetallics (2005) — 6 values [orchid_extraction]
• First-principles studies of typical long-period superstructures Al5Ti3, h-Al2Ti and r-Al2Ti in Al-rich TiAl alloys (2011) — 1 values [orchid_extraction]

TDB files modelling its system (4)

• tdb:AlTi-24Lia.tdb [sgte_tdb_header]
• tdb:AlTi-24Lia.tdb [orchid_literature_model_link]
• tdb:FeTi-24Lia.tdb [sgte_tdb_header]
• tdb:FeTi-24Lia.tdb [orchid_literature_model_link]

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

• Thermodynamic reassessment and calculation of FeTi phase diagram (1994) [citation+same-system]
• The Al–B–Nb–Ti system (2008) [citation+same-system]
• Phase equilibria in the Ti–Al binary system (2000) [citation+same-system]

Data papers used (7)

• Thermodynamic reassessment and calculation of FeTi phase diagram (1994) — 17 values [orchid_extraction]
• AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations (2012) — 10 values [orchid_extraction]
• A RESTful API for exchanging materials data in the AFLOWLIB.org consortium (2014) — 10 values [orchid_extraction]
• The Al–B–Nb–Ti system (2008) — 9 values [orchid_extraction]
• Thermodynamic modeling and optimization of the Fe–Ni–Ti system (2009) — 8 values [orchid_extraction]
• First-principles calculation of structural energetics of Al–TM (TM=Ti, Zr, Hf) intermetallics (2005) — 6 values [orchid_extraction]
• First-principles studies of typical long-period superstructures Al5Ti3, h-Al2Ti and r-Al2Ti in Al-rich TiAl alloys (2011) — 1 values [orchid_extraction]