Phase stability and thermodynamic modeling of the Re–Ti system supplemented by first-principles calculations

Chelsey L. Zacherl, Shun-Li Shang, Arkapol Saengdeejing, Zi-Kui Liu

Calphad 38 71-80 (2012) · Elsevier BV

DOI: 10.1016/j.calphad.2012.05.001

Data: JSON record · id doi:10.1016/j.calphad.2012.05.001 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 34 released values
• assessment behind a TDB file: ReTi-12Zac.tdb (Re–Ti)

Systems

Re, Ti, Re–Ti

Evidence in ORCHID

34 values read from this paper (31 accepted), from 2 tables and 3 text passages.

Phase-registry phases citing it: phase:re-ti:bcc-a2, phase:re-ti:fcc-a1, phase:re-ti:hcp-a3, phase:re-ti:liquid, phase:re-ti:re24ti5-a12, phase:re-ti:reti-b2

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 11 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (7)

• First-principles aided thermodynamic modeling of the Nb–Re system (2013) [crossref_reference_list]
• A thermodynamic re-assessment of Al–V toward an assessment of the ternary Al–Ti–V system (2015) [crossref_reference_list]
• Thermodynamic modeling of Al–Co–Cr, Al–Co–Ni, Co–Cr–Ni ternary systems towards a description for Al–Co–Cr–Ni (2016) [crossref_reference_list]
• First-principles calculations and thermodynamic modeling of the Sn-Ta system (2017) [crossref_reference_list]
• Thermodynamic description of the Ti-Mo-Nb-Ta-Zr system and its implications for phase stability of Ti bio-implant materials (2018) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• First-Principles Calculations, Experimental Study, and Thermodynamic Modeling of the Al-Co-Cr System (2015) [crossref_reference_list]

References (Crossref, publisher-deposited) (18)

• First-Principles Calculations and CALPHAD Modeling of Thermodynamics (2009) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations (2004) [crossref_reference_list]
• Ab initio lattice stability in comparison with CALPHAD lattice stability (2004) [crossref_reference_list]
• Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys (2005) [crossref_reference_list]
• First-principles calculations and thermodynamic modeling of the Al–Pt binary system (2011) [crossref_reference_list]
• Solid solution mechanism and thermodynamic properties of Ti–Re alloy system: Experiment and theory (2007) [crossref_reference_list]
• Enthalpies of formation of magnesium compounds from first-principles calculations (2009) [crossref_reference_list]
• First-principles calculations and thermodynamic modeling of the Re–Y system with extension to the Ni–Re–Y system (2010) [crossref_reference_list]
• Crystal chemistry and Calphad modelling of the χ phase (2009) [crossref_reference_list]
• Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]
• Efficient iterative schemes for <i>ab initio</i> total-energy calculations using a plane-wave basis set (1996) [crossref_reference_list]
• From ultrasoft pseudopotentials to the projector augmented-wave method (1999) [crossref_reference_list]
• First-principles elastic constants for the hcp transition metals Fe, Co, and Re at high pressure (1999) [crossref_reference_list]
• Thermal equations of state for titanium obtained by high pressure—temperature diffraction studies (2008) [crossref_reference_list]
• <i>Ab initio</i>up to the melting point: Anharmonicity and vacancies in aluminum (2009) [crossref_reference_list]
• Density-functional study of the thermodynamic properties and the pressure–temperature phase diagram of Ti (2009) [crossref_reference_list]
• Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]

Cites (values carry this citation) (6)

• Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations (2004) — 5 values [orchid_extraction]
• SGTE data for pure elements (1991) — 4 values [orchid_extraction]
• Solid solution mechanism and thermodynamic properties of Ti–Re alloy system: Experiment and theory (2007) — 2 values [orchid_extraction]
• First-principles elastic constants for the hcp transition metals Fe, Co, and Re at high pressure (1999) — 1 values [orchid_extraction]
• Thermal equations of state for titanium obtained by high pressure—temperature diffraction studies (2008) — 1 values [orchid_extraction]
• Density-functional study of the thermodynamic properties and the pressure–temperature phase diagram of Ti (2009) — 1 values [orchid_extraction]

TDB files modelling its system (1)

• tdb:ReTi-12Zac.tdb [sgte_tdb_header]

Data papers used (6)

• Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations (2004) — 5 values [orchid_extraction]
• SGTE data for pure elements (1991) — 4 values [orchid_extraction]
• Solid solution mechanism and thermodynamic properties of Ti–Re alloy system: Experiment and theory (2007) — 2 values [orchid_extraction]
• First-principles elastic constants for the hcp transition metals Fe, Co, and Re at high pressure (1999) — 1 values [orchid_extraction]
• Thermal equations of state for titanium obtained by high pressure—temperature diffraction studies (2008) — 1 values [orchid_extraction]
• Density-functional study of the thermodynamic properties and the pressure–temperature phase diagram of Ti (2009) — 1 values [orchid_extraction]