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Zi-Kui Liu, Dorothy Pate Enright Professor
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Year
Efficient stochastic generation of special quasirandom structures
A Van de Walle, P Tiwary, M De Jong, DL Olmsted, M Asta, A Dick, D Shin, ...
Calphad 42, 13-18, 2013
12362013
Functionally graded material of 304L stainless steel and inconel 625 fabricated by directed energy deposition: Characterization and thermodynamic modeling
BE Carroll, RA Otis, JP Borgonia, J Suh, RP Dillon, AA Shapiro, ...
Acta Materialia 108, 46-54, 2016
6012016
Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations
Y Wang, ZK Liu, LQ Chen
Acta Materialia 52 (9), 2665-2671, 2004
5792004
Effect of substrate constraint on the stability and evolution of ferroelectric domain structures in thin films
YL Li, SY Hu, ZK Liu, LQ Chen
Acta materialia 50 (2), 395-411, 2002
5692002
In situ epitaxial MgB2 thin films for superconducting electronics
X Zeng, AV Pogrebnyakov, A Kotcharov, JE Jones, XX Xi, EM Lysczek, ...
Nature materials 1 (1), 35-38, 2002
4552002
Ab initio lattice stability in comparison with CALPHAD lattice stability
Y Wang, S Curtarolo, C Jiang, R Arroyave, T Wang, G Ceder, LQ Chen, ...
Calphad 28 (1), 79-90, 2004
4432004
Optical band gap of BiFeO3 grown by molecular-beam epitaxy
JF Ihlefeld, NJ Podraza, ZK Liu, RC Rai, X Xu, T Heeg, YB Chen, J Li, ...
Applied Physics Letters 92 (14), 2008
4422008
First-principles thermodynamics from phonon and Debye model: Application to Ni and Ni3Al
SL Shang, Y Wang, DE Kim, ZK Liu
Computational Materials Science 47 (4), 1040-1048, 2010
4302010
First-principles calculations and CALPHAD modeling of thermodynamics
ZK Liu
Journal of phase equilibria and diffusion 30, 517-534, 2009
4102009
Additive manufacturing of a functionally graded material from Ti-6Al-4V to Invar: Experimental characterization and thermodynamic calculations
LD Bobbio, RA Otis, JP Borgonia, RP Dillon, AA Shapiro, ZK Liu, ...
Acta Materialia 127, 133-142, 2017
4022017
Phase-field model of domain structures in ferroelectric thin films
YL Li, SY Hu, ZK Liu, LQ Chen
Applied Physics Letters 78 (24), 3878-3880, 2001
3902001
Developing gradient metal alloys through radial deposition additive manufacturing
DC Hofmann, S Roberts, R Otis, J Kolodziejska, RP Dillon, J Suh, ...
Scientific reports 4 (1), 5357, 2014
3372014
First-principles study of binary bcc alloys using special quasirandom structures
C Jiang, C Wolverton, J Sofo, LQ Chen, ZK Liu
Physical Review B 69 (21), 214202, 2004
3282004
Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows
K Mathew, JH Montoya, A Faghaninia, S Dwarakanath, M Aykol, H Tang, ...
Computational Materials Science 139, 140-152, 2017
3262017
Thermodynamics of the Mg–B system: Implications for the deposition of thin films
ZK Liu, DG Schlom, Q Li, XX Xi
Applied Physics Letters 78 (23), 3678-3680, 2001
3262001
First-principles calculations of pure elements: Equations of state and elastic stiffness constants
SL Shang, A Saengdeejing, ZG Mei, DE Kim, H Zhang, S Ganeshan, ...
Computational Materials Science 48 (4), 813-826, 2010
3202010
First-principles elastic constants of α-and θ-Al2O3
S Shang, Y Wang, ZK Liu
Applied Physics Letters 90 (10), 2007
3102007
First-principles calculation of self-diffusion coefficients
M Mantina, Y Wang, R Arroyave, LQ Chen, ZK Liu, C Wolverton
Physical review letters 100 (21), 215901, 2008
3022008
A mixed-space approach to first-principles calculations of phonon frequencies for polar materials
Y Wang, JJ Wang, WY Wang, ZG Mei, SL Shang, LQ Chen, ZK Liu
Journal of Physics: Condensed Matter 22 (20), 202201, 2010
2902010
First principles impurity diffusion coefficients
M Mantina, Y Wang, LQ Chen, ZK Liu, C Wolverton
Acta Materialia 57 (14), 4102-4108, 2009
2892009
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Articles 1–20