Thermodynamic modeling and ab initio calculations of the Cr–Hf–Nb system

Thiago Gonçalves de Oliveira (ORCID 0000-0002-8800-7850), Sebastião Bruno Vilas Boas (ORCID 0009-0009-4986-8007), Martín Díaz-Choque (ORCID 0000-0002-0003-9613), Luiz Tadeu Fernandes Eleno (ORCID 0000-0002-3117-5116), Antonio Augusto Araujo Pinto da Silva (ORCID 0000-0003-3492-4028)

Calphad 94 102955 (2026) · Elsevier BV

DOI: 10.1016/j.calphad.2026.102955

Data: JSON record · id doi:10.1016/j.calphad.2026.102955 · metadata: crossref

Roles in ORCHID

• discovery lead (found by Crossref assessment discovery, not read): rank 24, score 125; systems named in title: Cr–Hf–Nb

Systems

Cr–Hf–Nb

Availability

Read by ORCHID: no. Open-access licence (Crossref license field): http://creativecommons.org/licenses/by/4.0/ (vor). Crossref is-referenced-by count: 0 (retrieved 2026-10-23).

Relations

References (Crossref, publisher-deposited) (33)

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• A New Theoretical Study of the Cr-Nb System (2014) [crossref_reference_list]
• Experimental Study of the Cr-Hf-Nb System: Liquidus Projection and 1200 °C Isothermal Section (2020) [crossref_reference_list]
• Thermodynamic Description of the C-Cr-Zr System Over the Whole Composition and Temperature Ranges (2020) [crossref_reference_list]
• Thermodynamic Assessment of the Co-Cr-Nb System (2021) [crossref_reference_list]
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• SGTE data for pure elements (1991) [crossref_reference_list]
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• Gibbs energy coupling of phase stability and thermochemistry in the HfNb system (1996) [crossref_reference_list]
• Re-modeling of Laves phases in the Cr–Nb and Cr–Ta systems using first-principles results (2009) [crossref_reference_list]
• Thermodynamic modeling of Laves phases in the Cr–Hf and Cr–Ti systems: Reassessment using first-principles results (2010) [crossref_reference_list]
• First-principles calculations and thermodynamic re-modeling of the Hf–W system (2012) [crossref_reference_list]
• Thermodynamic modeling of Cr–Nb and Zr–Cr with extension to the ternary Zr–Nb–Cr system (2015) [crossref_reference_list]
• A thermodynamic evaluation of the C–Cr–Nb system (2016) [crossref_reference_list]
• Liquidus projection and thermodynamic modeling of the Cr-Fe-Nb ternary system (2016) [crossref_reference_list]
• The Cr-Nb-Si system: Improved thermodynamic modelling and its use in simulation of Laves phase in steel (2017) [crossref_reference_list]
• Thermodynamic modelling of the Cr-Nb-Sn system (2017) [crossref_reference_list]
• Thermodynamic re-assessment of binary Cr-Nb system down to 0 K (2018) [crossref_reference_list]
• Experimental investigations and thermodynamic modelling of the Cr–Nb–Sn–Zr system (2019) [crossref_reference_list]
• Thermodynamic assessments of the U–Nb–Mo and U–Nb–Cr ternary systems (2021) [crossref_reference_list]
• Thermodynamic modeling of the Ni-Ti-Cr system and the B2/B19′ martensitic transformation (2022) [crossref_reference_list]
• Thermodynamic modelling of the Cr–Nb–Si system (2005) [crossref_reference_list]
• Thermodynamic modeling of the Cr–Hf–Si System (2009) [crossref_reference_list]
• The liquidus surface of the Cr–Al–Nb system and re-investigation of the Cr–Nb and Al–Cr phase diagrams (2014) [crossref_reference_list]
• Experimental study, first-principles calculation and thermodynamic modelling of the Cr–Fe–Nb–Sn–Zr quinary system for application as cladding materials in nuclear reactors. (2021) [crossref_reference_list]
• The absence of a stable hexagonal Laves phase modification (NbCr2) in the Nb–Cr system (2010) [crossref_reference_list]
• Phase stability of the Hf-Nb system: From first-principles to CALPHAD (2002) [crossref_reference_list]
• Thermodynamic properties of TaCr ₂ and NbCr ₂ (1970) [crossref_reference_list]
• Special points for Brillouin-zone integrations (1976) [crossref_reference_list]
• Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]
• Calculation of the Ni-Al-W, Ni-Al-Hf and Ni-Cr-Hf systems (1975) [crossref_reference_list]