Phase stability of the Hf-Nb system: From first-principles to CALPHAD

G. Ghosh, A. van de Walle, M. Asta, G.B. Olson

Calphad 26 (4) 491-511 (2002) · Elsevier BV

DOI: 10.1016/s0364-5916(02)80003-7

Data: JSON record · id doi:10.1016/s0364-5916(02)80003-7 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 36 released values
• assessment behind a TDB file: HfNb-02Gho.tdb (Hf–Nb)

Systems

Nb, Hf–Nb

Evidence in ORCHID

36 values read from this paper (34 accepted), from 4 tables and 2 text passages.

Phase-registry phases citing it: phase:hf-nb:bcc-a2, phase:hf-nb:fcc-a1, phase:hf-nb:hcp-a3, phase:hf-nb:liquid

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 40 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (14)

• Experimental Investigation and Thermodynamic Description of the Co–Hf–Nb System (2025) [crossref_reference_list]
• Professor Jan Vřešťál and His Contributions Towards the Implementing of Ab Initio Data into the CALPHAD Method and Extension of the Phase Diagram Calculations Down to 0 K (2019) [crossref_reference_list]
• First-principles calculation of structural energetics of Al–TM (TM=Ti, Zr, Hf) intermetallics (2005) [crossref_reference_list]
• First-principles calculations of structural energetics of Cu–TM (TM=Ti, Zr, Hf) intermetallics (2007) [crossref_reference_list]
• CALPHAD modelling of the unmixing of transition metal carbide phases (2004) [crossref_reference_list]
• Modification of the thermodynamic model for the Mg–Zr system (2005) [crossref_reference_list]
• Thermodynamic modelling of the Zn–Zr system (2006) [crossref_reference_list]
• First-principles based calculation of binary and multicomponent phase diagrams for titanium carbonitride (2008) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• Thermodynamic modeling and ab initio calculations of the Cr–Hf–Nb system (2026) [crossref_reference_list]
• Experimental investigation and thermodynamic description of the Fe–Hf–Nb system (2023) [crossref_reference_list]
• A comparative study of predicting high entropy alloy phase fractions with traditional machine learning and deep neural networks (2024) [crossref_reference_list]
• Experimental determination of isothermal sections of the Hf–Nb–Ni system at 950 and 1100 <b>°</b>C (2022) [crossref_reference_list]
• The Na–H system: from first-principles calculations to thermodynamic modeling (2006) [crossref_reference_list]

References (Crossref, publisher-deposited) (12)

• The Hf-Nb (Hafnium-Niobium) system (1991) [crossref_reference_list]
• Optimized prediction for heats of formation of transition metal alloys (1981) [crossref_reference_list]
• The Thermo-Calc databank system (1985) [crossref_reference_list]
• Trends in cohesive energy of transition metal alloys (1985) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Generalized cluster description of multicomponent systems (1984) [crossref_reference_list]
• Gibbs energy coupling of phase stability and thermochemistry in the HfNb system (1996) [crossref_reference_list]
• Thermodynamics of the Cr-Ta-W system by combining the Ab Initio and CALPHAD methods (2001) [crossref_reference_list]
• Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]
• Single-Crystal Elastic Moduli and the hcp → bcc Transformation in Ti, Zr, and Hf (1964) [crossref_reference_list]
• Special points for Brillouin-zone integrations (1976) [crossref_reference_list]
• Efficient iterative schemes for <i>ab initio</i> total-energy calculations using a plane-wave basis set (1996) [crossref_reference_list]

TDB files modelling its system (1)

• tdb:HfNb-02Gho.tdb [sgte_tdb_header]

Reassesses (cites an earlier assessment of the same system) (1)

• Gibbs energy coupling of phase stability and thermochemistry in the HfNb system (1996) [citation+same-system]