Application of Third-Generation CALPHAD to Elemental Hf, Binary Reassessments and Prediction of the Ternary Hf–Nb–Zr System

Gabriele Traversari, Mariano Casu, Alberto Cincotti, Roberto Orrù, Giacomo Cao, Antonio Mario Locci

Journal of Phase Equilibria and Diffusion 47 (2) 141-165 (2026) · Springer Science and Business Media LLC

DOI: 10.1007/s11669-026-01230-w

Data: JSON record · id doi:10.1007/s11669-026-01230-w · metadata: crossref

Roles in ORCHID

• discovery lead (found by Crossref assessment discovery, not read): rank 69, score 121; systems named in title: Hf–Nb–Zr

Systems

Hf–Nb–Zr

Availability

Read by ORCHID: no. Open-access licence (Crossref license field): https://creativecommons.org/licenses/by/4.0 (vor). Crossref is-referenced-by count: 1 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (1)

• Thermodynamic assessment of the Bi–Zn and Bi–Sb–Zn systems (2026) [crossref_reference_list]

References (Crossref, publisher-deposited) (20)

• The Hf−Zr (Hafnium−Zirconium) system (1982) [crossref_reference_list]
• Third Generation Calphad for Key Elements (2024) [crossref_reference_list]
• Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD) (2013) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Gibbs energy coupling of phase stability and thermochemistry in the HfNb system (1996) [crossref_reference_list]
• A thermodynamic assessment of the binary Fe-Mn system for the third generation of Calphad databases (2019) [crossref_reference_list]
• Use of third generation data for the elements to model the thermodynamics of binary alloy systems: Part 1 – The critical assessment of data for the Al-Zn system (2020) [crossref_reference_list]
• The third generation Calphad description of Al–C including revisions of pure Al and C (2021) [crossref_reference_list]
• CALPHAD modeling based on Gibbs energy functions from zero kevin and improved magnetic model: A case study on the Cr–Ni system (2021) [crossref_reference_list]
• A third generation CalPhaD assessment of the Fe–Mn–Ti system Part II: The ternary system Fe–Mn–Ti (2023) [crossref_reference_list]
• Use of third generation data for the pure elements to model the thermodynamics of binary alloy systems: Part 3 – The theoretical prediction of the Al–Si–Zn system (2024) [crossref_reference_list]
• Third generation Calphad: Thermodynamic assessment of the Ni-Ga system with physics-based models (2025) [crossref_reference_list]
• On phase stability of Mo-Nb-Ta-W refractory high entropy alloys (2022) [crossref_reference_list]
• A new thermodynamic modeling of the Ti–V system including the metastable ω phase (2020) [crossref_reference_list]
• The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies (2015) [crossref_reference_list]
• The atomic heats of titanium, zirconium and hafnium (1957) [crossref_reference_list]
• Low-Temperature Specific Heats of Titanium, Zirconium, and Hafnium (1963) [crossref_reference_list]
• Critical assessment and thermodynamic calculation of the ternary system C-Hf-Zr (Carbon-Zirconium-Hafnium) (2002) [crossref_reference_list]
• Third-Generation Thermodynamic Descriptions for Ta-Cr and Ta-V Binary Systems (2022) [crossref_reference_list]
• Third-Generation CALPHAD Modeling of Elemental Nb and Zr and Partial Re-Assessment of Their Binary Phase Diagram (2024) [crossref_reference_list]