Hybrid calphad DFT modelling of the Mg–Al–Ca system

Bengt Hallstedt (ORCID 0000-0001-5959-7030), Mehdi Noori

Calphad 82 102577 (2023) · Elsevier BV

DOI: 10.1016/j.calphad.2023.102577

Reference as printed in ORCHID's sources: B. Hallstedt, M. Noori, Calphad, 82, 102577(2023).

Data: JSON record · id doi:10.1016/j.calphad.2023.102577 · metadata: crossref

Roles in ORCHID

• assessment behind a TDB file: AlCa-23Hal.tdb (Al–Ca), AlMg-23Hal.tdb (Al–Mg), CaMg-23Hal.tdb (Ca–Mg)
• discovery lead (found by Crossref assessment discovery, not read): rank 121, score 119; systems named in title: Al–Ca–Mg

Systems

Al–Ca, Al–Mg, Ca–Mg, Al–Ca–Mg

Evidence in ORCHID

Phase-registry phases citing it: phase:al-ca:a12-al12mg17, phase:al-ca:al14ca13, phase:al-ca:al3ca8, phase:al-ca:al4ca-d13, phase:al-ca:bcc-a2, phase:al-ca:c14-laves, phase:al-ca:c15-laves, phase:al-ca:c36-laves, phase:al-ca:fcc-a1, phase:al-ca:hcp-a3, phase:al-ca:liquid, phase:al-mg:al12mg17-a12, phase:al-mg:almg-beta, phase:al-mg:almg-eps, phase:al-mg:bcc-a2, phase:al-mg:c14-laves, phase:al-mg:c15-laves, phase:al-mg:c36-laves, phase:al-mg:fcc-a1, phase:al-mg:hcp-a3 …

Availability

Read by ORCHID: no. Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 16 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (2)

• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• The theoretical assessment of the Al-Ge-Mg system (2026) [crossref_reference_list]

References (Crossref, publisher-deposited) (22)

• Thermodynamic calculation of some subsystems of the Al-Ca-Mg-Si-O system (1993) [crossref_reference_list]
• The Al−Ca (Aluminum-Calcium) system (1988) [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]
• Contribution to the experimental and thermodynamic assessment of the AlCaFeSi system—I. AlCaFe, AlCaSi, AlFeSi and CaFeSi systems (1994) [crossref_reference_list]
• Thermodynamic modeling of the Mg–Al–Ca system (2009) [crossref_reference_list]
• Contribution of first-principles energetics to Al–Mg thermodynamic modeling (2005) [crossref_reference_list]
• Thermodynamic modelling of the Mg–Ca, Mg–Sr, Ca–Sr and Mg–Ca–Sr systems using the modified quasichemical model (2008) [crossref_reference_list]
• Critical assessment and thermodynamic modeling of Mg–Ca–Zn system supported by key experiments (2014) [crossref_reference_list]
• Experimental investigations and thermodynamic modelling of the Cr–Nb–Sn–Zr system (2019) [crossref_reference_list]
• Phase equilibria, thermodynamics and solidification microstructures of Mg–Sn–Ca alloys, Part 1: Experimental investigation and thermodynamic modeling of the ternary Mg–Sn–Ca system (2008) [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 description of the Al–Mg–Si system using a new formulation for the temperature dependence of the excess Gibbs energy (2012) [crossref_reference_list]
• Thermodynamic assessment of the Al–Ca binary system using random solution and associate models (2002) [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]
• Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]
• THERMODYNAMIC MODELLING OF THE Mg-Al-Ca SYSTEM (2005) [crossref_reference_list]
• Thermodynamic Analysis of Phase Equilibria in the Mg–Al–Ho Ternary System (2013) [crossref_reference_list]

TDB files modelling its system (3)

• tdb:AlCa-23Hal.tdb [sgte_tdb_header]
• tdb:AlMg-23Hal.tdb [sgte_tdb_header]
• tdb:CaMg-23Hal.tdb [sgte_tdb_header]

Reassesses (cites an earlier assessment of the same system) (13)

• Thermodynamic calculation of some subsystems of the Al-Ca-Mg-Si-O system (1993) [citation+same-system]
• Linking first-principles energetics to CALPHAD: An application to thermodynamic modeling of the Al-Ca binary system (2005) [citation+same-system]
• 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]
• Contribution to the experimental and thermodynamic assessment of the AlCaFeSi system—I. AlCaFe, AlCaSi, AlFeSi and CaFeSi systems (1994) [citation+same-system]
• Contribution of first-principles energetics to Al–Mg thermodynamic modeling (2005) [citation+same-system]
• Phase equilibria, thermodynamics and solidification microstructures of Mg–Sn–Ca alloys, Part 1: Experimental investigation and thermodynamic modeling of the ternary Mg–Sn–Ca system (2008) [citation+same-system]
• Contribution of first-principles energetics to the Ca–Mg thermodynamic modeling (2006) [citation+same-system]
• Assessing phase equilibria and atomic mobility of intermetallic compounds in aluminum-magnesium alloy system (2020) [citation+same-system]
• Thermodynamic description of the Al–Mg–Si system using a new formulation for the temperature dependence of the excess Gibbs energy (2012) [citation+same-system]
• Thermodynamic assessment of the Al–Ca binary system using random solution and associate models (2002) [citation+same-system]
• THERMODYNAMIC MODELLING OF THE Mg-Al-Ca SYSTEM (2005) [citation+same-system]
• Thermodynamic Analysis of Phase Equilibria in the Mg–Al–Ho Ternary System (2013) [citation+same-system]