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1 Citation (Scopus)

Thermodynamic modeling of the La-Te system aided by first-principles calculations

Hu, Y. J., Paz Soldan Palma, J., Wang, Y., Firdosy, S. A., Star, K. E., Fleurial, J. P., Ravi, V. A. & Liu, Z. K., Jun 2018, In : Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 61, p. 227-236 10 p.

Research output: Contribution to journalArticle

Intermetallics
Thermodynamics
Phase equilibria
Phase diagrams
Density functional theory
5 Citations (Scopus)

Thermodynamic modeling of the Ni-Al-Ga-N system

Hull, B. A., Mohney, S. E. & Liu, Z. K., Jun 1 2004, In : Journal of Materials Research. 19, 6, p. 1742-1751 10 p.

Research output: Contribution to journalArticle

Thermodynamics
thermodynamics
Phase diagrams
phase diagrams
Epitaxial layers
2 Citations (Scopus)

Thermodynamic Modeling of the Pt-Te and Pt-Sb-Te Systems

Guo, C., Huang, L., Li, C., Shang, S. & Du, Z., Aug 1 2015, In : Journal of Electronic Materials. 44, 8, p. 2638-2650 13 p.

Research output: Contribution to journalArticle

liquid phases
Thermodynamics
thermodynamics
Phase diagrams
Enthalpy
9 Citations (Scopus)

Thermodynamic modeling of the Si-Sr system

Garay, A., Trápaga, G., Liu, Z. & Arróyave, R., Sep 1 2009, In : Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 33, 3, p. 550-556 7 p.

Research output: Contribution to journalArticle

Thermodynamics
Intermetallics
Enthalpy
Liquids
Gibbs free energy
1 Citation (Scopus)

Thermodynamic modeling of the Si-Y system aided by first-principles and phonon calculations

Zhang, Z., Chu, M. Y., Zhao, X. S., Li, K., Shang, S. L., Liu, Z. K. & Shen, J. Y., Jun 2019, In : Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 65, p. 282-290 9 p.

Research output: Contribution to journalArticle

Thermodynamics
Gibbs free energy
Phase equilibria
Eutectics
Phase diagrams
6 Citations (Scopus)

Thermodynamic modeling of the succinonitrile-water system

Zhang, S., Liu, Z. K. & Han, Q., Jun 1 2008, In : Journal of Phase Equilibria and Diffusion. 29, 3, p. 247-251 5 p.

Research output: Contribution to journalArticle

succinonitrile
Thermodynamics
thermodynamics
Phase diagrams
Water
16 Citations (Scopus)

Thermodynamic modeling of the YO1.5-ZrO2 system

Jacobson, N. S., Liu, Z., Kaufman, L. & Zhang, F., Jan 1 2004, In : Journal of the American Ceramic Society. 87, 8, p. 1559-1566 8 p.

Research output: Contribution to journalArticle

Thermodynamics
Phase equilibria
Vacancies
Phase diagrams
Solid solutions
11 Citations (Scopus)

Thermodynamic modelling of the B-Ca, B-Sr and B-Ba systems

Shang, S., Wang, T. & Liu, Z. K., Jun 1 2007, In : Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 31, 2, p. 286-291 6 p.

Research output: Contribution to journalArticle

Earth (planet)
Thermodynamics
Phase diagrams
Alkaline Earth Metals
Alkaline earth metals
43 Citations (Scopus)

Thermodynamic modelling of the Zn-Zr system

Arroyave, R. & Liu, Z., Mar 1 2006, In : Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 30, 1, p. 1-13 13 p.

Research output: Contribution to journalArticle

Thermodynamics
Phase diagrams
Grain refinement
Liquids
Gibbs free energy
31 Citations (Scopus)

Thermodynamic optimization of the Cr-Ti system

Zhuang, W., Shen, J., Liu, Y., Ling, L., Shang, S., Du, Y. & Schuster, J. C., Feb 1 2000, In : Zeitschrift fuer Metallkunde/Materials Research and Advanced Techniques. 91, 2, p. 121-127 7 p.

Research output: Contribution to journalArticle

sublattices
Thermodynamics
thermodynamics
optimization
Phase diagrams
22 Citations (Scopus)

Thermodynamic potential and phase diagram for multiferroic bismuth ferrite (BiFeO 3)

Karpinsky, D. V., Eliseev, E. A., Xue, F., Silibin, M. V., Franz, A., Glinchuk, M. D., Troyanchuk, I. O., Gavrilov, S. A., Gopalan, V., Chen, L. Q. & Morozovska, A. N., Dec 1 2017, In : npj Computational Materials. 3, 1, 20.

Research output: Contribution to journalArticle

Bismuth
Phase Diagram
Ferroelectric materials
Phase diagrams
Ferrite
20 Citations (Scopus)

Thermodynamic properties and phase equilibria for Pt-Rh alloys

Jacob, K. T., Priya, S. & Waseda, Y., Jan 1 1998, In : Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science. 29, 6, p. 1545-1550 6 p.

Research output: Contribution to journalArticle

Phase equilibria
Thermodynamic properties
thermodynamic properties
Enthalpy
enthalpy
1 Citation (Scopus)

Thermodynamic properties and phase stability of the Ba-Bi system: A combined computational and experimental study

Liu, J., Guan, P. W., Marker, C. N., Smith, N. D., Orabona, N., Shang, S. L., Kim, H. & Liu, Z. K., Jan 15 2019, In : Journal of Alloys and Compounds. 771, p. 281-289 9 p.

Research output: Contribution to journalArticle

Phase stability
Thermodynamic properties
Liquids
Isothermal annealing
Gibbs free energy
8 Citations (Scopus)

Thermodynamic properties at the Earth's core conditions and the shock-reduced isotherm of iron: A first-principles study

Wang, Y., Ahuja, R. & Johansson, B., Aug 12 2002, In : Journal of Physics Condensed Matter. 14, 31, p. 7321-7335 15 p.

Research output: Contribution to journalArticle

Earth core
Isotherms
isotherms
Thermodynamic properties
Iron
332 Citations (Scopus)

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

Wang, Y., Liu, Z. & Chen, L., May 17 2004, In : Acta Materialia. 52, 9, p. 2665-2671 7 p.

Research output: Contribution to journalArticle

Free energy
Enthalpy
Thermodynamic properties
Thermal expansion
Electronic density of states

Thermodynamic properties of Ba-Pb alloys determined by EMF measurements using binary CaF2-BaF2 electrolyte

Gesualdi, J., Nigl, T. P., Lichtenstein, T., Smith, N. D. & Kim, H., Jan 1 2019, In : Journal of the Electrochemical Society. 166, 8, p. D268-D275

Research output: Contribution to journalArticle

Open Access
Electrolytes
Thermodynamic properties
Gibbs free energy
Electric potential
Electromotive force
5 Citations (Scopus)

Thermodynamic Properties of Barium-Antimony Alloys Determined by Emf Measurements

Lichtenstein, T., Gesualdi, J., Nigl, T. P., Yu, C. T. & Kim, H., Oct 10 2017, In : Electrochimica Acta. 251, p. 203-211 9 p.

Research output: Contribution to journalArticle

Barium alloys
Antimony alloys
Thermodynamic properties
Electromotive force
Electric potential
9 Citations (Scopus)

Thermodynamic properties of Barium-Bismuth alloys determined by emf measurements

Lichtenstein, T., Smith, N. D., Gesualdi, J., Kumar, K. & Kim, H., Feb 20 2017, In : Electrochimica Acta. 228, p. 628-635 8 p.

Research output: Contribution to journalArticle

Barium alloys
Bismuth alloys
Electromotive force
Force measurement
Thermodynamic properties
93 Citations (Scopus)

Thermodynamic properties of binary hcp solution phases from special quasirandom structures

Shin, D., Arróyave, R., Liu, Z. K. & Van De Walle, A., Jul 20 2006, In : Physical Review B - Condensed Matter and Materials Physics. 74, 2, 024204.

Research output: Contribution to journalArticle

Thermodynamic properties
thermodynamic properties
Chemical analysis
Lattice constants
Enthalpy
35 Citations (Scopus)

Thermodynamic properties of calcium-bismuth alloys determined by emf measurements

Kim, H., Boysen, D. A., Bradwell, D. J., Chung, B., Jiang, K., Tomaszowska, A. A., Wang, K., Wei, W. & Sadoway, D. R., Jan 15 2012, In : Electrochimica Acta. 60, p. 154-162 9 p.

Research output: Contribution to journalArticle

Calcium alloys
Bismuth alloys
Electromotive force
Force measurement
Calcium
28 Citations (Scopus)

Thermodynamic properties of calcium-magnesium alloys determined by emf measurements

Newhouse, J. M., Poizeau, S., Kim, H., Spatocco, B. L. & Sadoway, D. R., Feb 28 2013, In : Electrochimica Acta. 91, p. 293-301 9 p.

Research output: Contribution to journalArticle

Calcium alloys
Electromotive force
Force measurement
Magnesium alloys
Calcium
14 Citations (Scopus)

Thermodynamic properties of Co3O4and Sr 6Co5O15from first-principles

Saal, J. E., Wang, Y., Shang, S. & Liu, Z. K., Nov 15 2010, In : Inorganic chemistry. 49, 22, p. 10291-10298 8 p.

Research output: Contribution to journalArticle

Thermodynamic properties
thermodynamic properties
specific heat
harmonics
Debye temperature
19 Citations (Scopus)

Thermodynamic properties of Laves phases in the Mg-Al-Ca system at finite temperature from first-principles

Zhang, H., Shang, S., Wang, Y., Chen, L. & Liu, Z., Mar 1 2012, In : Intermetallics. 22, p. 17-23 7 p.

Research output: Contribution to journalArticle

Thermodynamic properties
Enthalpy
Entropy
Temperature
Free energy
6 Citations (Scopus)

Thermodynamic properties of MgO, Be, and W: A simplified computational approach

Wang, Y., Ahuja, R. & Johansson, B., Nov 11 2002, In : Journal of Physics Condensed Matter. 14, 44 SPEC ISS., p. 10895-10900 6 p.

Research output: Contribution to journalArticle

Beryllium
Tungsten
potential fields
beryllium
Equations of state
9 Citations (Scopus)

Thermodynamic properties of sodium: A first-principles study

Wang, Y. & Sun, Y. F., Jul 1 2001, In : Chinese Physics Letters. 18, 7, p. 864-867 4 p.

Research output: Contribution to journalArticle

thermodynamic properties
sodium
materials science
thermal expansion
isotherms

Thermodynamic properties of Sr-Sb alloys via emf measurements using solid CaF 2 -SrF 2 electrolyte

Smith, N. D., Orabona, N., Lichtenstein, T., Gesualdi, J., Nigl, T. P. & Kim, H., May 10 2019, In : Electrochimica Acta. 305, p. 547-554 8 p.

Research output: Contribution to journalArticle

Electromotive force
Force measurement
Electrolytes
Thermodynamic properties
Superconducting transition temperature
12 Citations (Scopus)

Thermodynamic Properties of Strontium-Bismuth Alloys Determined by Electromotive Force Measurements

Smith, N. D., Lichtenstein, T., Gesualdi, J., Kumar, K. & Kim, H., Jan 20 2017, In : Electrochimica Acta. 225, p. 584-591 8 p.

Research output: Contribution to journalArticle

Strontium alloys
Bismuth alloys
Electromotive force
Force measurement
Thermodynamic properties

Thermodynamic properties of strontium-lead alloys determined by electromotive force measurements

Nigl, T. P., Lichtenstein, T., Smith, N. D., Gesualdi, J., Kong, Y. & Kim, H., Jan 1 2018, In : Journal of the Electrochemical Society. 165, 14, p. H991-H998

Research output: Contribution to journalArticle

Open Access
Strontium alloys
Lead alloys
Electromotive force
Force measurement
Thermodynamic properties
35 Citations (Scopus)

Thermodynamic properties of the actinide metals Th and U: A first-principles study

Li, L. & Wang, Y., Jan 1 2001, In : Physical Review B - Condensed Matter and Materials Physics. 63, 24, p. 2451081-2451089 9 p., 245108.

Research output: Contribution to journalArticle

Actinoid Series Elements
Actinides
Equations of state
Hugoniot equation of state
Thermodynamic properties
13 Citations (Scopus)

Thermodynamic reactivity of the magnesium vapor with substrate materials during MgB2 deposition

Liu, Z. J., Zhou, S. H., Xi, X. X. & Liu, Z., Oct 15 2003, In : Physica C: Superconductivity and its applications. 397, 3-4, p. 87-94 8 p.

Research output: Contribution to journalArticle

Physical vapor deposition
Magnesium
magnesium
Chemical vapor deposition
reactivity
7 Citations (Scopus)
Ternary systems
Thermodynamics
Phase diagrams
Enthalpy
Liquids

Thermodynamic remodeling of the Al–Pt system towards an assessment of the Al–Ni–Pt system

Liu, X. L., Lindwall, G., Otis, R., Kim, H. & Liu, Z. K., Dec 1 2016, In : Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 55, p. 88-102 15 p.

Research output: Contribution to journalArticle

Thermodynamics
Ternary systems
Metastable phases
Superalloys
Extrapolation
40 Citations (Scopus)

Thermodynamics and ferroelectric properties of KNbO3

Liang, L., Li, Y. L., Chen, L. Q., Hu, S. Y. & Lu, G. H., Dec 16 2009, In : Journal of Applied Physics. 106, 10, 104118.

Research output: Contribution to journalArticle

transition temperature
free energy
thermodynamics
niobates
coefficients
10 Citations (Scopus)
diffusion theory
activation
disorders
thermodynamics
kinetics
23 Citations (Scopus)

Thermodynamics and thin film deposition of MgB2 superconductors

Xi, X. X., Zeng, X. H., Soukiassian, A., Jones, J., Hotchkiss, J., Zhong, Y., Brubaker, C. O., Liu, Z. K., Lettieri, J., Schlom, D. G., Hu, Y. F., Wertz, E., Li, Q., Tian, W., Sun, H. P. & Pan, X. Q., Mar 1 2002, In : Superconductor Science and Technology. 15, 3, p. 451-457 7 p.

Research output: Contribution to journalArticle

Superconducting materials
Thermodynamics
Thin films
thermodynamics
overpressure
22 Citations (Scopus)

Thermodynamic signature of the onset of caged dynamics in glass-forming liquids

Kamath, S., Colby, R. H., Kumar, S. K. & Baschnagel, J., Jan 15 2002, In : Journal of Chemical Physics. 116, 3, p. 865-868 4 p.

Research output: Contribution to journalArticle

signatures
Thermodynamics
Glass
thermodynamics
glass
37 Citations (Scopus)

Thermodynamics modeling of the Mg-Sr and Ca-Mg-Sr systems

Zhong, Y., Sofo, J. O., Luo, A. A. & Liu, Z., Sep 14 2006, In : Journal of Alloys and Compounds. 421, 1-2, p. 172-178 7 p.

Research output: Contribution to journalArticle

Ternary systems
Thermodynamics
Gibbs free energy
Ground state
Intermetallics
5 Citations (Scopus)

Thermodynamics of constrained and unconstrained equilibrium systems and their phase rules

Liu, Z. K. & Ågren, J., Feb 1 1995, In : Journal of Phase Equilibria. 16, 1, p. 30-35 6 p.

Research output: Contribution to journalArticle

phase rule
Phase interfaces
Chemical potential
Phase equilibria
Thermodynamics
14 Citations (Scopus)

Thermodynamics of Counterion Release Is Critical for Anion Exchange Membrane Conductivity

Kwasny, M. T., Zhu, L., Hickner, M. A. & Tew, G. N., Jun 27 2018, In : Journal of the American Chemical Society. 140, 25, p. 7961-7969 9 p.

Research output: Contribution to journalArticle

Thermodynamics
Anions
Cations
Ion exchange
Negative ions
78 Citations (Scopus)

Thermodynamics of electromechanically coupled mixed ionic-electronic conductors: Deformation potential, Vegard strains, and flexoelectric effect

Morozovska, A. N., Eliseev, E. A., Tagantsev, A. K., Bravina, S. L., Chen, L. Q. & Kalinin, S. V., May 11 2011, In : Physical Review B - Condensed Matter and Materials Physics. 83, 19, 195313.

Research output: Contribution to journalArticle

conductors
Thermodynamics
thermodynamics
Fuel cells
Electric fields
51 Citations (Scopus)

Thermodynamics of fission products in UO2±x

Nerikar, P. V., Liu, X. Y., Uberuaga, B. P., Stanek, C. R., Phillpot, S. R. & Sinnott, S. B., Nov 20 2009, In : Journal of Physics Condensed Matter. 21, 43, 435602.

Research output: Contribution to journalArticle

fission products
Fission products
Thermodynamics
thermodynamics
Density functional theory
10 Citations (Scopus)

Thermodynamics of interfacial segregation in solute drag

Liu, Z. K., Ågren, J. & Suehiro, M., Jun 1 1998, In : Materials Science and Engineering A. 247, 1-2, p. 222-228 7 p.

Research output: Contribution to journalArticle

drag
Drag
solutes
Phase interfaces
Thermodynamics
10 Citations (Scopus)

Thermodynamics of multiferroic BiFeO3: Applications for the deposition of BiFeO3 thin films

Mei, Z. G., Shang, S., Wang, Y. & Liu, Z., Mar 28 2011, In : Applied Physics Letters. 98, 13, 131904.

Research output: Contribution to journalArticle

partial pressure
phase diagrams
thermodynamics
thin films
enthalpy
45 Citations (Scopus)

Thermodynamics of nanodomain formation and breakdown in scanning probe microscopy: Landau-Ginzburg-Devonshire approach

Morozovska, A. N., Eliseev, E. A., Li, Y., Svechnikov, S. V., Maksymovych, P., Shur, V. Y., Gopalan, V., Chen, L. Q. & Kalinin, S. V., Dec 14 2009, In : Physical Review B - Condensed Matter and Materials Physics. 80, 21, 214110.

Research output: Contribution to journalArticle

Scanning probe microscopy
Domain walls
breakdown
Thermodynamics
microscopy
43 Citations (Scopus)

Thermodynamics of short-term cell adhesion in vitro

Vogler, E. A., Jan 1 1988, In : Biophysical journal. 53, 5, p. 759-769 11 p.

Research output: Contribution to journalArticle

Thermodynamics
Cell Adhesion
Madin Darby Canine Kidney Cells
Polysorbates
Surface-Active Agents
55 Citations (Scopus)

Thermodynamics of strained vanadium dioxide single crystals

Gu, Y., Cao, J., Wu, J. & Chen, L. Q., Oct 15 2010, In : Journal of Applied Physics. 108, 8, 083517.

Research output: Contribution to journalArticle

dioxides
vanadium
phase diagrams
thermodynamics
single crystals
9 Citations (Scopus)
alkaline earth metals
thermodynamics
fabrication
thin films
boron
68 Citations (Scopus)

Thermodynamics of the Ce γ-α Transition: Density-functional study

Wang, Y., Hector, L. G., Zhang, H., Shang, S. L., Chen, L. Q. & Liu, Z. K., Sep 19 2008, In : Physical Review B - Condensed Matter and Materials Physics. 78, 10, 104113.

Research output: Contribution to journalArticle

Phase transitions
Thermodynamics
Cerium
thermodynamics
Equations of state
50 Citations (Scopus)

Thermodynamics of the Cr-Ta-W system by combining the ab initio and CALPHAD methods

Kaufman, L., Turchi, P. E. A., Huang, W. & Liu, Z. K., Sep 2001, In : Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 25, 3, p. 419-433 15 p.

Research output: Contribution to journalArticle

Thermodynamics
Tin
Hamiltonians
Local density approximation
Statistical mechanics
207 Citations (Scopus)

Thermodynamics of the Mg-B system: Implications for the deposition of MgB2 thin films

Liu, Z. K., Schlom, D. G., Li, Q. & Xi, X. X., Jun 4 2001, In : Applied Physics Letters. 78, 23, p. 3678-3680 3 p.

Research output: Contribution to journalArticle

thermodynamics
thin films
temperature
phase diagrams
overpressure