First-principles aided thermodynamic modeling of the Nb–Re system

Xuan L. Liu, Chelsey Z. Hargather, Zi-Kui Liu

Calphad 41 119-127 (2013) · Elsevier BV

DOI: 10.1016/j.calphad.2013.02.006

Data: JSON record · id doi:10.1016/j.calphad.2013.02.006 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 50 released values
• assessment behind a TDB file: NbRe-13Liu.tdb (Nb–Re)

Systems

Nb, Re, Nb–Re

Evidence in ORCHID

50 values read from this paper (42 accepted), from 3 tables and 8 text passages.

ESPEI datasets derived: 4 (invariants/NB-RE/NbRe-13Liu.zpf-00.json …).

Phase-registry phases citing it: phase:nb-re:a12-chi, phase:nb-re:bcc-a2, phase:nb-re:d8b-sigma, phase:nb-re:fcc-a1, phase:nb-re:hcp-a3, phase:nb-re:liquid

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 16 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (10)

• Bulk and Surface Properties of Liquid Cr-Nb-Re Alloys (2014) [crossref_reference_list]
• Experimental Investigation of Diagram Equilibria in the Co-Nb-Re Ternary System (2019) [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 re-assessment of the Re–X (X=Al, Co, Cr, Ta) binary systems (2018) [crossref_reference_list]
• Thermodynamic modeling of the La-Te system aided by first-principles calculations (2018) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• Isothermal sections of the Co–Nb-Re phase diagram at 1200 and 1375 K (2020) [crossref_reference_list]
• Additively manufactured Ni-20Cr to V functionally graded material: Computational predictions and experimental verification of phase formations (2024) [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) (19)

• Phase diagram for the niobium-rhenium system (1961) [crossref_reference_list]
• First-Principles Calculations and CALPHAD Modeling of Thermodynamics (2009) [crossref_reference_list]
• The niobium-rhenium system (1959) [crossref_reference_list]
• Thermodynamic properties of the CrFe system (1987) [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]
• First-principles calculations and thermodynamic modeling of Cs–In system (2010) [crossref_reference_list]
• First-principles calculations and thermodynamic re-modeling of the Hf–W system (2012) [crossref_reference_list]
• Phase stability and thermodynamic modeling of the Re–Ti system supplemented by first-principles calculations (2012) [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 modeling of the σ phase (2008) [crossref_reference_list]
• Crystal chemistry and Calphad modelling of the χ phase (2009) [crossref_reference_list]
• Evaluation of the thermodynamic properties of the Re–Ta and Re–W systems (2000) [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]
• 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) (5)

• The niobium-rhenium system (1959) — 3 values [orchid_extraction]
• Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations (2004) — 3 values [orchid_extraction]
• Crystal chemistry and Calphad modeling of the σ phase (2008) — 2 values [orchid_extraction]
• Phase diagram for the niobium-rhenium system (1961) — 1 values [orchid_extraction]
• Crystal chemistry and Calphad modelling of the χ phase (2009) — 1 values [orchid_extraction]

TDB files modelling its system (2)

• tdb:NbRe-13Liu.tdb [orchid_literature_model_link]
• tdb:NbRe-13Liu.tdb [sgte_tdb_header]

Data papers used (5)

• The niobium-rhenium system (1959) — 3 values [orchid_extraction]
• Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations (2004) — 3 values [orchid_extraction]
• Crystal chemistry and Calphad modeling of the σ phase (2008) — 2 values [orchid_extraction]
• Phase diagram for the niobium-rhenium system (1961) — 1 values [orchid_extraction]
• Crystal chemistry and Calphad modelling of the χ phase (2009) — 1 values [orchid_extraction]