First-principles thermodynamics from phonon and Debye model: Application to Ni and Ni3Al
By Shun-Li Shang, Yi Wang, DongEung Kim, Zi-kui Liu. 2010
442 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Condensed Matter Physics, Mechanical Engineering
View Paper: https://www.semanticscholar.org/paper/9f20161c29fbfb0eb721020a998296a1334a8b43
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In Atomic and Molecular Physics, and Optics
In Condensed Matter Physics
In Mechanical Engineering
Citations in the corpus
- Stacking fault energies of face-centered cubic concentrated solid solution alloys (2017, unknown): “A standard approach to the calculation of F ele and F vib was employed [31].”
- Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows (2017, methodology): “For the other thermal properties the default post-processing step of the workflow is to feed the generated energy-volume data to the quasi-harmonic Debye approximation [49,50] as implemented in pymatgen to compute the thermal properties of interest.”