Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations

By Y. Wang, Zi-kui Liu, Long-qing Chen. 2004

495 citations recorded by the source corpus.

Subfields: Atmospheric Science, Atomic and Molecular Physics, and Optics, Mechanical Engineering

View Paper: https://www.semanticscholar.org/paper/57d1fa5c7c1bd1c297166f65e935f64162d7c6dc

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In Atmospheric Science

1. Zi-kui Liu

In Atomic and Molecular Physics, and Optics

1. Zi-kui Liu

In Mechanical Engineering

1. Zi-kui Liu

Citations in the corpus

• First-Principles Calculations and CALPHAD Modeling of Thermodynamics (2009, methodology): “We have used both the linear response theory([58]) and the supercell method([113]) to predict the Helmholtz energy of Al, Ni, B2-NiAl and L12-Ni3Al by considering the phonon and thermal electronic contributions.”
• Density-Functional Perturbation Theory for Quasi-Harmonic Calculations (2011, unknown): “(Wang et al. 2004, Arroyave et al. 2005, Lozovoi & Mishin 2003, Gornostyrev et al. 2007).”