Thermodynamic integration based on classical atomistic simulations to determine the Gibbs energy of condensed phases: Calculation of the aluminum-zirconium system

J.-P. Harvey, A. E. Gheribi, P. Chartrand

Physical Review B 86 (22) 224202 (2012) · American Physical Society (APS)

DOI: 10.1103/physrevb.86.224202

Data: JSON record · id doi:10.1103/physrevb.86.224202 · metadata: crossref

Roles in ORCHID

cited as the original source of values

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Evidence in ORCHID

8 values in 1 other papers cite this work as their source.

Cited values by evidence class
model	8

Availability

Read by ORCHID: no. Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 19 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (2)

Thermodynamic reassessment of the Al–Zr binary system (2017) [crossref_reference_list]
An Updated Thermodynamic Modeling of the Al-Zr System (2015) [crossref_reference_list]

References (Crossref, publisher-deposited) (9)

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]
Al-Ni (aluminum-nickel) (1993) [crossref_reference_list]
Thermodynamic Assessment of the Al-Zr Binary System (2001) [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]

Cited for values by (1)

An Updated Thermodynamic Modeling of the Al-Zr System (2015) — 8 values [orchid_extraction]

Used in (assessments / papers that took values from it) (1)

An Updated Thermodynamic Modeling of the Al-Zr System (2015) — 8 values [orchid_extraction]