2007 - ASM Fellow Contributions to computational modeling of materials and, in particular, to computational thermodynamics and its transitioning to physics based modeling, which enables the robust production of stable engineering materials.
Zi Kui Liu mainly focuses on Thermodynamics, Crystallography, Condensed matter physics, Phase diagram and Bulk modulus. His Thermodynamics research includes elements of Phonon, CALPHAD, Density functional theory and Physical chemistry. His study in Crystallography is interdisciplinary in nature, drawing from both Alloy, Reflection, Kinetics and Anisotropy.
His studies deal with areas such as Magnetoresistance, Thin film, Ferroelectricity and Tetragonal crystal system as well as Condensed matter physics. His Phase diagram research includes themes of Mixing and Intermetallic. His Bulk modulus study incorporates themes from Atom, Debye model, Melting point and Shear modulus.
Thermodynamics, CALPHAD, Phase, Condensed matter physics and Phase diagram are his primary areas of study. His biological study deals with issues like Phonon, which deal with fields such as Bulk modulus. His research in CALPHAD intersects with topics in Material properties, Thermodynamic process, Ternary numeral system and Standard enthalpy of formation, Physical chemistry.
He interconnects Alloy, Metallurgy and Microstructure in the investigation of issues within Phase. The study incorporates disciplines such as Crystallography, Thin film and Ferroelectricity in addition to Condensed matter physics. His Phase diagram study combines topics from a wide range of disciplines, such as Solid solution and Isothermal process.
The scientist’s investigation covers issues in Thermodynamics, Phase, CALPHAD, Condensed matter physics and Work. His research integrates issues of Density functional theory and Molecular dynamics in his study of Thermodynamics. His Phase research is multidisciplinary, incorporating elements of Alloy, Crystallography, Microstructure and Transition metal.
His CALPHAD study deals with the bigger picture of Phase diagram. His Condensed matter physics study deals with Thermoelectric materials intersecting with Seebeck coefficient. His Phonon study combines topics in areas such as Weyl semimetal and Raman spectroscopy.
His primary areas of study are Phase, CALPHAD, Thermodynamics, Work and Alloy. His work deals with themes such as Ductility, Analytical chemistry, Microstructure and Atomic ratio, which intersect with Phase. CALPHAD is a subfield of Phase diagram that Zi Kui Liu tackles.
The Thermodynamics study combines topics in areas such as Phonon, Annealing and Conductor. Zi Kui Liu has included themes like Seebeck coefficient and Density functional theory in his Work study. His Alloy research is multidisciplinary, relying on both Chemical physics and Crystallography.
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Efficient stochastic generation of special quasirandom structures
A. van de Walle;P. Tiwary;M. de Jong;D.L. Olmsted.
Calphad-computer Coupling of Phase Diagrams and Thermochemistry (2013)
In situ epitaxial MgB2 thin films for superconducting electronics.
Xianghui Zeng;Alexej V. Pogrebnyakov;Armen Kotcharov;James E. Jones.
Nature Materials (2002)
Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations
Y. Wang;Z.-K. Liu;L.-Q. Chen.
Acta Materialia (2004)
Effect of substrate constraint on the stability and evolution of ferroelectric domain structures in thin films
Y.L. Li;S.Y. Hu;Z.K. Liu;L.Q. Chen.
Acta Materialia (2002)
Optical band gap of BiFeO3 grown by molecular-beam epitaxy
J. F. Ihlefeld;J. F. Ihlefeld;N. J. Podraza;Z. K. Liu;R. C. Rai.
Applied Physics Letters (2008)
Ab initio lattice stability in comparison with CALPHAD lattice stability
Y. Wang;S. Curtarolo;C. Jiang;R. Arroyave.
Calphad-computer Coupling of Phase Diagrams and Thermochemistry (2004)
Functionally graded material of 304L stainless steel and inconel 625 fabricated by directed energy deposition: Characterization and thermodynamic modeling
Beth E. Carroll;Richard A. Otis;John Paul Borgonia;Jong Ook Suh.
Acta Materialia (2016)
Phase-field model of domain structures in ferroelectric thin films
Y. L. Li;S. Y. Hu;Z. K. Liu;L. Q. Chen.
Applied Physics Letters (2001)
First-principles thermodynamics from phonon and Debye model: Application to Ni and Ni3Al
Shun Li Shang;Yi Wang;Dong Eung Kim;Zi Kui Liu.
Computational Materials Science (2010)
First-Principles Calculations and CALPHAD Modeling of Thermodynamics
Zi Kui Liu.
Journal of Phase Equilibria and Diffusion (2009)
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