An Updated Thermodynamic Modeling of the Al-Zr System

Evelyne Fischer, Catherine Colinet

Journal of Phase Equilibria and Diffusion 36 (5) 404-413 (2015) · Springer Science and Business Media LLC

DOI: 10.1007/s11669-015-0398-y

Data: JSON record · id doi:10.1007/s11669-015-0398-y · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 186 released values
• cited as the original source of values
• assessment behind a TDB file: AlZr-15Fis.tdb (Al–Zr)

Systems

Al–Zr

Evidence in ORCHID

186 values read from this paper (182 accepted), from 3 tables and 3 text passages.

14 values in 2 other papers cite this work as their source.

ESPEI datasets derived: 22 (derived/invariant-brackets/AL-ZR/AlZr-15Fis.zpf-01.json …).

Phase-registry phases citing it: phase:al-zr:al2zr-c14, phase:al-zr:al2zr3, phase:al-zr:al3zr-d023, phase:al-zr:al3zr2, phase:al-zr:al3zr4, phase:al-zr:al3zr5-d8m, phase:al-zr:al4zr5, phase:al-zr:alzr-b33, phase:al-zr:alzr2-b82, phase:al-zr:alzr3-l12, phase:al-zr:bcc-a2, phase:al-zr:fcc-a1, phase:al-zr:hcp-a3, phase:al-zr:liquid

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 52 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (19)

• Thermodynamic description of the Al–Ag–Zr system and discovery of the high-strength ternary phase Al1.84Ag0.16Zr (2023) [crossref_reference_list]
• Thermodynamic reassessment of the Al–Zr binary system (2017) [crossref_reference_list]
• Thermodynamic Modeling of the Al-Li-Zr Ternary System (2020) [crossref_reference_list]
• Critical Assessment of the Al-Ti-Zr System (2020) [crossref_reference_list]
• Phase Equilibria of the Er-Al-Zr Ternary System at 500 °C (2024) [crossref_reference_list]
• Enthalpies of formation of TM–X compounds (X=Al, Ga, Si, Ge, Sn). Comparison of ab-initio values and experimental data (2016) [crossref_reference_list]
• Thermodynamic assessment of the Ti–Al–Zr system and atomic mobility of its bcc phase (2020) [crossref_reference_list]
• Liquidus projection of the Al–V–Zr system (2024) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• Experimental investigation and thermodynamic assessment of the Al-Zr-Mn system (2025) [crossref_reference_list]
• Experimental investigation and thermodynamic modelling of the Ag-Zr system (2026) [crossref_reference_list]
• New insights into solidification and phase equilibria in the Al-Al3Zr system: Theoretical and experimental investigations (2018) [crossref_reference_list]
• Liquidus projection of the Al–Ti–Zr system (2020) [crossref_reference_list]
• Experimental investigation and thermodynamic optimization of the Al–Hf–Zr system (2026) [crossref_reference_list]
• Thermodynamic assessment of the phase equilibria and prediction of glass-forming ability of the Al–Cu–Zr system (2017) [crossref_reference_list]
• Measurement of solidus and liquidus in the system Zr-Al (20–95 at.% Zr) by using the spot-technique (2018) [crossref_reference_list]
• Contribution to the thermodynamics of key zirconium-based binary systems for severe nuclear accident assessment (2026) [crossref_reference_list]
• Experimental contribution to thermodynamics of the Ag-Cd-In, In-Zr and In2O3-ZrO2 systems (2026) [crossref_reference_list]
• Al-Fe-Zr Ternary Phase Diagram Evaluation (2023) [crossref_reference_list]

References (Crossref, publisher-deposited) (23)

• Solution-calorimetric determination of the standard molar enthalpies of formation of the pseudobinary compounds Zr(Al Fe1 - )2 at the temperature 298.15 K (1994) [crossref_reference_list]
• The Al-Zr (aluminum-zirconium) system (1992) [crossref_reference_list]
• guidelines for binary phase diagram assessment (1993) [crossref_reference_list]
• Phase equilibria in the aluminium-rich side of the Al–Zr system (2013) [crossref_reference_list]
• Thermodynamic properties of melts in Al–TI(Zr, Hf) binary systems (2009) [crossref_reference_list]
• Thermodynamic Assessment of the Al-Zr Binary System (2001) [crossref_reference_list]
• Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD) (2013) [crossref_reference_list]
• Thermodynamic study of the zirconium-aluminum system (1984) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Standard enthalpies of formation of 4d aluminides by direct synthesis calorimetry (1993) [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 binary Al compounds: Enthalpies of formation and elastic properties (2011) [crossref_reference_list]
• The first-principles calculations for the elastic properties of Zr2Al under compression (2011) [crossref_reference_list]
• Stability, elastic properties and electronic structures of the stable Zr–Al intermetallic compounds: A first-principles investigation (2014) [crossref_reference_list]
• Bonding characteristics and site occupancies of alloying elements in Zr3Al2 compound from first principles (2015) [crossref_reference_list]
• Structural stability of ternary C22–Zr6X2Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and C22–Zr6Sn2T′ (T′=Fe, Co, Ni, Cu) compounds (2013) [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]
• Thermodynamic integration based on classical atomistic simulations to determine the Gibbs energy of condensed phases: Calculation of the aluminum-zirconium system (2012) [crossref_reference_list]
• Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]
• Al-Zr (Aluminum-Zirconium) (2002) [crossref_reference_list]
• The structural stabilities of the intermetallics and the solid-state phase transformations induced by lattice vibration effects in the Al–Zr system by first-principles calculations (2010) [crossref_reference_list]

Cited for values by (2)

• Thermodynamic Modeling of the Al-Li-Zr Ternary System (2020) — 10 values [orchid_extraction]
• New insights into solidification and phase equilibria in the Al-Al3Zr system: Theoretical and experimental investigations (2018) — 4 values [orchid_extraction]

Cites (values carry this citation) (16)

• The Al-Zr (aluminum-zirconium) system (1992) — 13 values [orchid_extraction]
• Thermodynamic Assessment of the Al-Zr Binary System (2001) — 11 values [orchid_extraction]
• Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD) (2013) — 10 values [orchid_extraction]
• First-principles calculation of structural energetics of Al–TM (TM=Ti, Zr, Hf) intermetallics (2005) — 10 values [orchid_extraction]
• First-principles calculations of binary Al compounds: Enthalpies of formation and elastic properties (2011) — 10 values [orchid_extraction]
• Stability, elastic properties and electronic structures of the stable Zr–Al intermetallic compounds: A first-principles investigation (2014) — 10 values [orchid_extraction]
• Structural stability of ternary C22–Zr6X2Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and C22–Zr6Sn2T′ (T′=Fe, Co, Ni, Cu) compounds (2013) — 10 values [orchid_extraction]
• The structural stabilities of the intermetallics and the solid-state phase transformations induced by lattice vibration effects in the Al–Zr system by first-principles calculations (2010) — 10 values [orchid_extraction]
• Thermodynamic integration based on classical atomistic simulations to determine the Gibbs energy of condensed phases: Calculation of the aluminum-zirconium system (2012) — 8 values [orchid_extraction]
• Thermodynamic study of the zirconium-aluminum system (1984) — 7 values [orchid_extraction]
• Phase equilibria in the aluminium-rich side of the Al–Zr system (2013) — 4 values [orchid_extraction]
• Standard enthalpies of formation of 4d aluminides by direct synthesis calorimetry (1993) — 4 values [orchid_extraction]
• Solution-calorimetric determination of the standard molar enthalpies of formation of the pseudobinary compounds Zr(Al Fe1 - )2 at the temperature 298.15 K (1994) — 1 values [orchid_extraction]
• Thermodynamic properties of melts in Al–TI(Zr, Hf) binary systems (2009) — 1 values [orchid_extraction]
• The first-principles calculations for the elastic properties of Zr2Al under compression (2011) — 1 values [orchid_extraction]
• Bonding characteristics and site occupancies of alloying elements in Zr3Al2 compound from first principles (2015) — 1 values [orchid_extraction]

TDB files modelling its system (2)

• tdb:AlZr-15Fis.tdb [orchid_literature_model_link]
• tdb:AlZr-15Fis.tdb [sgte_tdb_header]

Reassessed by (3)

• Thermodynamic reassessment of the Al–Zr binary system (2017) [citation+same-system]
• Thermodynamic Modeling of the Al-Li-Zr Ternary System (2020) [citation+same-system]
• New insights into solidification and phase equilibria in the Al-Al3Zr system: Theoretical and experimental investigations (2018) [citation+same-system]

Data papers used (16)

• The Al-Zr (aluminum-zirconium) system (1992) — 13 values [orchid_extraction]
• Thermodynamic Assessment of the Al-Zr Binary System (2001) — 11 values [orchid_extraction]
• Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD) (2013) — 10 values [orchid_extraction]
• First-principles calculation of structural energetics of Al–TM (TM=Ti, Zr, Hf) intermetallics (2005) — 10 values [orchid_extraction]
• First-principles calculations of binary Al compounds: Enthalpies of formation and elastic properties (2011) — 10 values [orchid_extraction]
• Stability, elastic properties and electronic structures of the stable Zr–Al intermetallic compounds: A first-principles investigation (2014) — 10 values [orchid_extraction]
• Structural stability of ternary C22–Zr6X2Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and C22–Zr6Sn2T′ (T′=Fe, Co, Ni, Cu) compounds (2013) — 10 values [orchid_extraction]
• The structural stabilities of the intermetallics and the solid-state phase transformations induced by lattice vibration effects in the Al–Zr system by first-principles calculations (2010) — 10 values [orchid_extraction]
• Thermodynamic integration based on classical atomistic simulations to determine the Gibbs energy of condensed phases: Calculation of the aluminum-zirconium system (2012) — 8 values [orchid_extraction]
• Thermodynamic study of the zirconium-aluminum system (1984) — 7 values [orchid_extraction]
• Phase equilibria in the aluminium-rich side of the Al–Zr system (2013) — 4 values [orchid_extraction]
• Standard enthalpies of formation of 4d aluminides by direct synthesis calorimetry (1993) — 4 values [orchid_extraction]
• Solution-calorimetric determination of the standard molar enthalpies of formation of the pseudobinary compounds Zr(Al Fe1 - )2 at the temperature 298.15 K (1994) — 1 values [orchid_extraction]
• Thermodynamic properties of melts in Al–TI(Zr, Hf) binary systems (2009) — 1 values [orchid_extraction]
• The first-principles calculations for the elastic properties of Zr2Al under compression (2011) — 1 values [orchid_extraction]
• Bonding characteristics and site occupancies of alloying elements in Zr3Al2 compound from first principles (2015) — 1 values [orchid_extraction]

Used in (assessments / papers that took values from it) (2)

• Thermodynamic Modeling of the Al-Li-Zr Ternary System (2020) — 10 values [orchid_extraction]
• New insights into solidification and phase equilibria in the Al-Al3Zr system: Theoretical and experimental investigations (2018) — 4 values [orchid_extraction]