Thermodynamic modelling of the Zn–Zr system

R. Arroyave, Z.K. Liu

Calphad 30 (1) 1-13 (2006) · Elsevier BV

DOI: 10.1016/j.calphad.2005.12.006

Data: JSON record · id doi:10.1016/j.calphad.2005.12.006 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 83 released values
• assessment behind a TDB file: ZnZr-06Arr-first.tdb (Zn–Zr), ZnZr-06Arr-second.tdb (Zn–Zr)

Systems

Zn–Zr

Evidence in ORCHID

83 values read from this paper (83 accepted), from 2 tables and 1 text passages.

ESPEI datasets derived: 12 (derived/invariant-brackets/ZN-ZR/ZnZr-06Arr-first.zpf-00.json …).

Phase-registry phases citing it: phase:zn-zr:bcc-a2, phase:zn-zr:fcc-a1, phase:zn-zr:hcp-a3, phase:zn-zr:liquid, phase:zn-zr:zn22zr, phase:zn-zr:zn2zr-c15, phase:zn-zr:zn2zr3, phase:zn-zr:zn39zr5, phase:zn-zr:zn3zr, phase:zn-zr:zn3zr-d023, phase:zn-zr:znzr-b2, phase:zn-zr:znzr2

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 57 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (31)

• Nano-Calphad: extension of the Calphad method to systems with nano-phases and complexions (2012) [crossref_reference_list]
• Thermodynamic description of the Ru–Y binary system (2010) [crossref_reference_list]
• Thermodynamic optimization of the Yb–Sn system (2010) [crossref_reference_list]
• Thermodynamic optimization of the germanium–yttrium system (2012) [crossref_reference_list]
• Thermodynamic assessment of the Ytterbium–Germanium binary system (2017) [crossref_reference_list]
• Thermodynamic reassessment of the Al–Zr binary system (2017) [crossref_reference_list]
• Experimental Investigation of the Phase Equilibria of the Zn-Al-Zr Ternary System at 723 K (450 °C) (2015) [crossref_reference_list]
• Zn-Zr (Zinc-Zirconium) (2007) [crossref_reference_list]
• First-Principles Calculations and CALPHAD Modeling of Thermodynamics (2009) [crossref_reference_list]
• Phase Equilibria at 600 °C of the Y-Zn-Zr System (2017) [crossref_reference_list]
• A Thermodynamic Assessment of the Li-Ge System (2018) [crossref_reference_list]
• A thermodynamic modelling of the Ba–Pb system (2007) [crossref_reference_list]
• A thermodynamic description of the Mg–Pr–Y system (2008) [crossref_reference_list]
• Thermodynamic modeling of the Mg–Si system with the Kaptay equation for the excess Gibbs energy of the liquid phase (2009) [crossref_reference_list]
• First-principles calculations of binary Al compounds: Enthalpies of formation and elastic properties (2011) [crossref_reference_list]
• First-principles calculations and thermodynamic modeling of the Sn-Ta system (2017) [crossref_reference_list]
• First-principles calculations and thermodynamic modeling of the Yb-Ni binary system (2017) [crossref_reference_list]
• Thermodynamic modeling of the La-Te system aided by first-principles calculations (2018) [crossref_reference_list]
• Phase equilibria of the Zn-Ti system: Experiments, first-principles calculations and Calphad assessment (2019) [crossref_reference_list]
• Experimental investigation and thermodynamic re-assessment of the Ti–Zn system and atomic mobility of its bcc phase (2022) [crossref_reference_list]
• Thermodynamic re-modeling of the Yb-Sb system aided by first-principles calculations (2023) [crossref_reference_list]
• Experimental investigation and thermodynamic calculation of the Co–Zn–Zr ternary system (2023) [crossref_reference_list]
• Experimental investigation and thermodynamic calculation of phase equilibria in the ternary Si-Zn-Zr system (2025) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• Thermodynamic assessment of the Fe–Hf binary system (2008) [crossref_reference_list]
• Thermodynamic reassessment of the neodymium–gold binary system (2016) [crossref_reference_list]
• Study of excess free energy of mixing and heat of mixing of liquid ternary Al–Li–Zn alloy by assessing the thermodynamic properties of sub-binary alloys (2021) [crossref_reference_list]
• Thermodynamic assessment of the In–Ir system in the In rich part (2011) [crossref_reference_list]
• Thermodynamic description of the Al–Mg–Si system using a new formulation for the temperature dependence of the excess Gibbs energy (2012) [crossref_reference_list]
• Intermetallics in the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>Mg</mml:mi><mml:mtext>−</mml:mtext><mml:mi>Ca</mml:mi><mml:mtext>−</mml:mtext><mml:mi>Sn</mml:mi></mml:mrow></mml:math>ternary system: Structural, vibrational, and thermodynamic properties from first principles (2006) [crossref_reference_list]
• Thermodynamic modeling of the Fe−Zn system using exponential temperature dependence for the excess Gibbs energy (2011) [crossref_reference_list]

References (Crossref, publisher-deposited) (11)

• Linking first-principles energetics to CALPHAD: An application to thermodynamic modeling of the Al-Ca binary system (2005) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• A combined CALPHAD/first-principles remodeling of the thermodynamics of Al–Sr: unsuspected ground state energies by “rounding up the (un)usual suspects” (2004) [crossref_reference_list]
• A new equation for the temperature dependence of the excess Gibbs energy of solution phases (2004) [crossref_reference_list]
• Modification of the thermodynamic model for the Mg–Zr system (2005) [crossref_reference_list]
• Thermodynamics of the Cr-Ta-W system by combining the Ab Initio and CALPHAD methods (2001) [crossref_reference_list]
• Phase stability of the Hf-Nb system: From first-principles to CALPHAD (2002) [crossref_reference_list]
• Thermodynamic evaluation of the Mg-Zr system (1998) [crossref_reference_list]
• Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]
• Special points for Brillouin-zone integrations (1976) [crossref_reference_list]
• From ultrasoft pseudopotentials to the projector augmented-wave method (1999) [crossref_reference_list]

TDB files modelling its system (3)

• tdb:ZnZr-06Arr-first.tdb [orchid_literature_model_link]
• tdb:ZnZr-06Arr-first.tdb [sgte_tdb_header]
• tdb:ZnZr-06Arr-second.tdb [sgte_tdb_header]