Contribution of first-principles energetics to Al–Mg thermodynamic modeling

Yu Zhong, Mei Yang, Zi-Kui Liu

Calphad 29 (4) 303-311 (2005) · Elsevier BV

DOI: 10.1016/j.calphad.2005.08.004

Data: JSON record · id doi:10.1016/j.calphad.2005.08.004 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 119 released values
• assessment behind a TDB file: AlMg-05Zho.tdb (Al–Mg)

Systems

Al, Mg, Al–Mg

Evidence in ORCHID

119 values read from this paper (119 accepted), from 3 tables and 1 text passages.

ESPEI datasets derived: 6 (dft/literature/AL-MG/AlMg-05Zho.ALMG_EPS.json …).

Phase-registry phases citing it: phase:al-mg:al12mg17-a12, phase:al-mg:almg-beta, phase:al-mg:almg-eps, phase:al-mg:bcc-a2, phase:al-mg:fcc-a1, phase:al-mg:hcp-a3, phase:al-mg:liquid

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 125 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (21)

• Solvus Composition Paths in Multicomponent Alloys—Experimental Approach and Correlation with Calphad Calculations for the Example Al–Mg–Si (2012) [crossref_reference_list]
• First-Principles Calculations and CALPHAD Modeling of Thermodynamics (2009) [crossref_reference_list]
• Thermodynamic Description of the Al-Fe-Mg-Ni-Si and Al-Cu-Fe-Mg-Ni Quinary Systems and Its Application to Solidification Simulation (2015) [crossref_reference_list]
• Thermodynamic Modeling of the Al-Ce-Cu-Mg-Si System and Its Application to Aluminum-Cerium Alloy Design (2020) [crossref_reference_list]
• Ab initio lattice stabilities of some elemental complex structures (2006) [crossref_reference_list]
• Thermodynamic and ab initio investigation of the Al–H–Mg system (2007) [crossref_reference_list]
• First-principles calculations of binary Al compounds: Enthalpies of formation and elastic properties (2011) [crossref_reference_list]
• Assessment of the Mg–Al–Sb system supported by experiments and extrapolation to the Mg–Al–Sn–Sb quaternary system (2022) [crossref_reference_list]
• Hybrid calphad DFT modelling of the Mg–Al–Ca system (2023) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• The theoretical assessment of the Al-Ge-Mg system (2026) [crossref_reference_list]
• Contribution of first-principles energetics to the Ca–Mg thermodynamic modeling (2006) [crossref_reference_list]
• Assessing phase equilibria and atomic mobility of intermetallic compounds in aluminum-magnesium alloy system (2020) [crossref_reference_list]
• Thermodynamic descriptions of quaternary Mg–Al–Zn–Bi system supported by experiments and their application in descriptions of solidification behavior in Bi-additional AZ casting alloys (2020) [crossref_reference_list]
• A machine learning–based classification approach for phase diagram prediction (2022) [crossref_reference_list]
• Phase equilibria and solidification behavior of Mg–Al–Gd casting alloys (2024) [crossref_reference_list]
• Thermodynamic evaluation of the aerial and aqueous oxidation of Al – Mg, Al – Si and Al – Mg – Si system alloys at 298 K (2024) [crossref_reference_list]
• Essential Magnesium Alloys Binary Phase Diagrams and Their Thermochemical Data (2014) [crossref_reference_list]
• Thermodynamic description of the Mg-O and Al-O systems (2023) [crossref_reference_list]
• Thermodynamic Analysis of Phase Equilibria in the Mg–Al–Ho Ternary System (2013) [crossref_reference_list]
• Thermodynamics and Its Applications through First-Principles Calculations and CALPHAD Modeling (2007) [crossref_reference_list]

References (Crossref, publisher-deposited) (10)

• Über das Verhalten des Magnesiums zu Calcium, Strontium und Barium (1947) [crossref_reference_list]
• An experimental technique for the rapid determination of binary phase diagrams: The Al-Mg system (1989) [crossref_reference_list]
• Crystal structures of the elements at 25°C (1981) [crossref_reference_list]
• Linking first-principles energetics to CALPHAD: An application to thermodynamic modeling of the Al-Ca binary system (2005) [crossref_reference_list]
• A review and thermodynamic assessment of the Al-Mg and Mg-Li systems (1990) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Thermodynamic calculation of the AlMg phase diagram (1993) [crossref_reference_list]
• Experimental investigation of the Mg-Al phase diagram from 47 to 63 at.% Al (1997) [crossref_reference_list]
• Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]
• Study of the thermal stability of phases in the Mg-Al system (2003) [crossref_reference_list]

Cites (values carry this citation) (3)

• An experimental technique for the rapid determination of binary phase diagrams: The Al-Mg system (1989) — 1 values [orchid_extraction]
• Experimental investigation of the Mg-Al phase diagram from 47 to 63 at.% Al (1997) — 1 values [orchid_extraction]
• Study of the thermal stability of phases in the Mg-Al system (2003) — 1 values [orchid_extraction]

TDB files modelling its system (2)

• tdb:AlMg-05Zho.tdb [sgte_tdb_header]
• tdb:AlMg-05Zho.tdb [orchid_literature_model_link]

Reassessed by (3)

• Hybrid calphad DFT modelling of the Mg–Al–Ca system (2023) [citation+same-system]
• Assessing phase equilibria and atomic mobility of intermetallic compounds in aluminum-magnesium alloy system (2020) [citation+same-system]
• Thermodynamic Analysis of Phase Equilibria in the Mg–Al–Ho Ternary System (2013) [citation+same-system]

Reassesses (cites an earlier assessment of the same system) (2)

• A review and thermodynamic assessment of the Al-Mg and Mg-Li systems (1990) [citation+same-system]
• Thermodynamic calculation of the AlMg phase diagram (1993) [citation+same-system]

Data papers used (3)

• An experimental technique for the rapid determination of binary phase diagrams: The Al-Mg system (1989) — 1 values [orchid_extraction]
• Experimental investigation of the Mg-Al phase diagram from 47 to 63 at.% Al (1997) — 1 values [orchid_extraction]
• Study of the thermal stability of phases in the Mg-Al system (2003) — 1 values [orchid_extraction]