Enthalpies of formation of magnesium compounds from first-principles calculations

Hui Zhang, Shunli Shang, James E. Saal, Arkapol Saengdeejing, Yi Wang, Long-Qing Chen, Zi-Kui Liu

Intermetallics 17 (11) 878-885 (2009) · Elsevier BV

DOI: 10.1016/j.intermet.2009.03.017

Data: JSON record · id doi:10.1016/j.intermet.2009.03.017 · metadata: crossref

Roles in ORCHID

• cited as the original source of values

Systems

Mg–Si

Evidence in ORCHID

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

Availability

Read by ORCHID: no (full_text_screened_for_origin). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 196 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (17)

• Experimental Investigation of Phase Equilibria in the La-Fe-B System at 600 and 800 °C (2020) [crossref_reference_list]
• Thermodynamic Assessment of the Mg–La–Nd System (2024) [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]
• Combined ab initio, experimental, and CALPHAD approach for an improved thermodynamic evaluation of the Mg–Si system (2012) [crossref_reference_list]
• Phase stability and thermodynamic modeling of the Re–Ti system supplemented by first-principles calculations (2012) [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]
• Inherently consistent temperature function for interaction parameters demonstrated for the Mg–Si assessment (2016) [crossref_reference_list]
• Thermodynamic re-assessment of the Mg–Y binary system coupling with the precipitation sequence during aging process (2020) [crossref_reference_list]
• Stability, elastic properties and electronic structures of the stable Zr–Al intermetallic compounds: A first-principles investigation (2014) [crossref_reference_list]
• Phase equilibria and thermodynamic modeling of the Mg-Si-Y system (2026) [crossref_reference_list]
• Thermodynamic modelling for the long-period stacking ordered phase in Mg–Y–Al system: Construction and application (2023) [crossref_reference_list]
• A thermodynamic assessment of the Cd–Mg system (2012) [crossref_reference_list]
• Essential Magnesium Alloys Binary Phase Diagrams and Their Thermochemical Data (2014) [crossref_reference_list]
• Reassessment of the Mg–Ge binary system using CALPHAD supported by first-principles calculation (2010) [crossref_reference_list]
• Thermodynamic modeling of the Ba–Mg binary system (2013) [crossref_reference_list]
• Mg-Si Binary Phase Diagram Evaluation (2017) [crossref_reference_list]

References (Crossref, publisher-deposited) (14)

• Cohesion in alloys — fundamentals of a semi-empirical model (1980) [crossref_reference_list]
• Ab initio lattice stability in comparison with CALPHAD lattice stability (2004) [crossref_reference_list]
• Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys (2005) [crossref_reference_list]
• Modification of the thermodynamic model for the Mg–Zr system (2005) [crossref_reference_list]
• Thermodynamic assessment of the La–Mg system (2004) [crossref_reference_list]
• Thermochemistry of some binary alloys of copper with the lanthanide metals by high-temperature direct synthesis calorimetry (2005) [crossref_reference_list]
• The standard enthalpies of formation of some intermetallic compounds of transition metals by high temperature direct synthesis calorimetry (2006) [crossref_reference_list]
• Thermodynamics modeling of the Mg–Sr and Ca–Mg–Sr systems (2006) [crossref_reference_list]
• Contribution of first-principles energetics to the Ca–Mg thermodynamic modeling (2006) [crossref_reference_list]
• Special points for Brillouin-zone integrations (1976) [crossref_reference_list]
• Efficient iterative schemes for <i>ab initio</i> total-energy calculations using a plane-wave basis set (1996) [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]
• Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]
• Thermodynamic assessment of the Dy–Mg system (2004) [crossref_reference_list]

Cited for values by (2)

• Thermodynamic modeling of the Mg–Si system with the Kaptay equation for the excess Gibbs energy of the liquid phase (2009) — 1 values [orchid_extraction]
• Combined ab initio, experimental, and CALPHAD approach for an improved thermodynamic evaluation of the Mg–Si system (2012) — 1 values [orchid_extraction]

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

• Thermodynamic modeling of the Mg–Si system with the Kaptay equation for the excess Gibbs energy of the liquid phase (2009) — 1 values [orchid_extraction]
• Combined ab initio, experimental, and CALPHAD approach for an improved thermodynamic evaluation of the Mg–Si system (2012) — 1 values [orchid_extraction]