Thermodynamic Integration Based on Classical Atomistic Simulations to Determine the Gibbs Energy of Condensed Phases: Calculation of the Aluminum-Zirconium System

Jean-Philippe Harvey, Aïmen E. Gheribi and Patrice Chartrand

Article (2012)

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Department:	Department of Chemical Engineering
PolyPublie URL:	https://publications.polymtl.ca/15283/
Journal Title:	Physical Review B (vol. 86, no. 22)
Publisher:	American Physical Society
DOI:	10.1103/physrevb.86.224202
Official URL:	https://doi.org/10.1103/physrevb.86.224202
Date Deposited:	18 Apr 2023 15:11
Last Modified:	25 Sep 2024 15:52

Cite in APA 7:	Harvey, J.-P., Gheribi, A. E., & Chartrand, P. (2012). Thermodynamic Integration Based on Classical Atomistic Simulations to Determine the Gibbs Energy of Condensed Phases: Calculation of the Aluminum-Zirconium System. Physical Review B, 86(22). https://doi.org/10.1103/physrevb.86.224202
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