First-principles calculations and thermodynamic modeling of the Re–Y system with extension to the Ni–Re–Y system

C. Zacherl, J. Saal, Y. Wang, Z.K. Liu

Intermetallics 18 (12) 2412-2418 (2010) · Elsevier BV

DOI: 10.1016/j.intermet.2010.08.032

Data: JSON record · id doi:10.1016/j.intermet.2010.08.032 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 19 released values
• cited as the original source of values
• assessment behind a TDB file: ReY-10Zac.tdb (Re–Y)
• discovery lead (found by Crossref assessment discovery, not read): rank 2051, score 53; systems named in title: Ni–Re–Y

Systems

Re, Y, Re–Y, Ni–Re–Y

Evidence in ORCHID

19 values read from this paper (16 accepted), from 1 tables and 3 text passages.

2 values in 1 other papers cite this work as their source.

Phase-registry phases citing it: phase:re-y:bcc-a2, phase:re-y:fcc-a1, phase:re-y:hcp-a3, phase:re-y:liquid, phase:re-y:re2y-c14

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 13 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (4)

• DFT Calculations and Thermodynamic Re-Assessment of the Fe-Y Binary System (2021) [crossref_reference_list]
• Phase stability and thermodynamic modeling of the Re–Ti system supplemented by first-principles calculations (2012) [crossref_reference_list]
• First-principles aided thermodynamic modeling of the Nb–Re system (2013) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]

References (Crossref, publisher-deposited) (11)

• 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]
• Thermodynamic modeling of the Co–Ni–Y system (2005) [crossref_reference_list]
• A thermodynamic description of the Ni–Al–Cr–Re system (1999) [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]
• Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]
• Laves phase compounds of rare earths and hafnium with noble metals (1959) [crossref_reference_list]

Cited for values by (1)

• DFT Calculations and Thermodynamic Re-Assessment of the Fe-Y Binary System (2021) — 2 values [orchid_extraction]

Cites (values carry this citation) (2)

• Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations (2004) — 4 values [orchid_extraction]
• Laves phase compounds of rare earths and hafnium with noble metals (1959) — 2 values [orchid_extraction]

TDB files modelling its system (1)

• tdb:ReY-10Zac.tdb [sgte_tdb_header]

Data papers used (2)

• Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations (2004) — 4 values [orchid_extraction]
• Laves phase compounds of rare earths and hafnium with noble metals (1959) — 2 values [orchid_extraction]

Used in (assessments / papers that took values from it) (1)

• DFT Calculations and Thermodynamic Re-Assessment of the Fe-Y Binary System (2021) — 2 values [orchid_extraction]