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Author
Zi‐Kui Liu
also known as Liu, Z. K., Liu, Z.K., Liu, Zi-Kui
Pennsylvania State University · United States Air Force Research Laboratory · Lawrence Livermore National Laboratory · Oak Ridge National Laboratory
About this author
Works
1,060
Cited by
37,751
h-index
94
i10
585
ORCID ↗
Top papers
Efficient stochastic generation of special quasirandom structures
Axel van de Walle, Pratyush Tiwary, Maarten de Jong, et al.
·
2013
·
Calphad
↗ 1,566
Functionally graded material of 304L stainless steel and inconel 625 fabricated by directed energy deposition: Characterization and thermodynamic modeling
Beth Carroll, Richard Otis, John Paul Borgonia, et al.
·
2016
·
Acta Materialia
↗ 614
Effect of substrate constraint on the stability and evolution of ferroelectric domain structures in thin films
Yulan Li, Shenyang Hu, Zi‐Kui Liu, et al.
·
2002
·
Acta Materialia
↗ 568
Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations
Yi Wang, Zi‐Kui Liu, Long‐Qing Chen
·
2004
·
Acta Materialia
↗ 506
First-principles thermodynamics from phonon and Debye model: Application to Ni and Ni3Al
Shun‐Li Shang, Yi Wang, DongEung Kim, et al.
·
2009
·
Computational Materials Science
↗ 446
Additive manufacturing of a functionally graded material from Ti-6Al-4V to Invar: Experimental characterization and thermodynamic calculations
Lourdes D. Bobbio, Richard Otis, John Paul Borgonia, et al.
·
2017
·
Acta Materialia
↗ 413
Ab initio lattice stability in comparison with CALPHAD lattice stability
Yi Wang, Stefano Curtarolo, Chao Jiang, et al.
·
2004
·
Calphad
↗ 395
Optical band gap of BiFeO3 grown by molecular-beam epitaxy
Jon F. Ihlefeld, Nikolas J. Podraza, Zi‐Kui Liu, et al.
·
2008
·
Applied Physics Letters
↗ 378
OA
First-Principles Calculations and CALPHAD Modeling of Thermodynamics
Zi‐Kui Liu
·
2009
·
Journal of Phase Equilibria and Diffusion
↗ 373
Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows
Kiran Mathew, Joseph H. Montoya, Alireza Faghaninia, et al.
·
2017
·
Computational Materials Science
↗ 365
OA
Phase-field model of domain structures in ferroelectric thin films
Yulan Li, Shenyang Hu, Zi‐Kui Liu, et al.
·
2001
·
Applied Physics Letters
↗ 321
First-principles calculations of pure elements: Equations of state and elastic stiffness constants
Shun‐Li Shang, Arkapol Saengdeejing, Zhi-Gang Mei, et al.
·
2010
·
Computational Materials Science
↗ 310