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Thermodynamic modeling of Mg-Ca-Ce system by combining first-principles and CALPHAD method

Zhang, H., Wang, Y., Shang, S., Chen, L. & Liu, Z., Sep 8 2008, In : Journal of Alloys and Compounds. 463, 1-2, p. 294-301 8 p.

Research output: Contribution to journalArticle

11 Scopus citations

Thermodynamic modeling of organic carbonates for lithium batteries

Liu, Z., Mar 1 2003, In : Journal of the Electrochemical Society. 150, 3

Research output: Contribution to journalArticle

11 Scopus citations

Thermodynamic modeling of phase equilibria and defect chemistry in the Zn-S system

Guan, P. W., Shang, S. L., Lindwall, G., Anderson, T. & Liu, Z. K., Dec 2017, In : Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 59, p. 171-181 11 p.

Research output: Contribution to journalArticle

3 Scopus citations

Thermodynamic modeling of the Al-Mg-Na system

Zhang, S., Han, Q. & Liu, Z. K., Aug 10 2006, In : Journal of Alloys and Compounds. 419, 1-2, p. 91-97 7 p.

Research output: Contribution to journalArticle

11 Scopus citations

Thermodynamic modeling of the aluminum-iron-oxygen system

Lindwall, G., Liu, X. L., Ross, A., Fang, H., Zhou, B. C. & Liu, Z. K., Dec 1 2015, In : Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 51, p. 178-192 15 p.

Research output: Contribution to journalArticle

7 Scopus citations

Thermodynamic modeling of the Ba-Ni-Ti system

Shang, S., Liu, Z. J. & Liu, Z., Mar 14 2007, In : Journal of Alloys and Compounds. 430, 1-2, p. 188-193 6 p.

Research output: Contribution to journalArticle

6 Scopus citations

Thermodynamic modeling of the binary barium-oxygen system

Zhou, S., Arroyave, R., Randall, C. A. & Liu, Z., Jul 1 2005, In : Journal of the American Ceramic Society. 88, 7, p. 1943-1948 6 p.

Research output: Contribution to journalArticle

4 Scopus citations

Thermodynamic modeling of the Ca-Li-Na system

Zhang, S., Shin, D. & Liu, Z. K., Jun 2003, In : Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 27, 2, p. 235-241 7 p.

Research output: Contribution to journalArticle

9 Scopus citations

Thermodynamic modeling of the CaO-CaF2-Al2O3 system aided by first-principles calculations

Guo, C., Shang, S., Du, Z., Jablonski, P. D., Gao, M. C. & Liu, Z., Jan 1 2015, In : Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 48, p. 113-122 10 p.

Research output: Contribution to journalArticle

7 Scopus citations

Thermodynamic modeling of the Ca-Sn system based on finite temperature quantities from first-principles and experiment

Ohno, M., Kozlov, A., Arroyave, R., Liu, Z. K. & Schmid-Fetzer, R., Oct 1 2006, In : Acta Materialia. 54, 18, p. 4939-4951 13 p.

Research output: Contribution to journalArticle

28 Scopus citations

Thermodynamic modeling of the Ca-Sr-Zn ternary system

Zhong, Y., Ozturk, K. & Liu, Z., Aug 1 2003, In : Journal of Phase Equilibria. 24, 4, p. 340-346 7 p.

Research output: Contribution to journalArticle

13 Scopus citations

Thermodynamic modeling of the Cu-Mn system supported by key experiments

He, C., Du, Y., Chen, H. L., Liu, S., Xu, H., Ouyang, Y. & Liu, Z. K., Jun 12 2008, In : Journal of Alloys and Compounds. 457, 1-2, p. 233-238 6 p.

Research output: Contribution to journalArticle

24 Scopus citations

Thermodynamic modeling of the Cu-Si system

Shin, D., Saal, J. E. & Liu, Z. K., Sep 1 2008, In : Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 32, 3, p. 520-526 7 p.

Research output: Contribution to journalArticle

25 Scopus citations

Thermodynamic modeling of the Hf-Si-O system

Shin, D., Arróyave, R. & Liu, Z., Dec 1 2006, In : Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 30, 4, p. 375-386 12 p.

Research output: Contribution to journalArticle

45 Scopus citations

Thermodynamic modeling of the indium-palladium system

Jiang, C. & Liu, Z. K., Dec 2002, In : Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science. 33, 12, p. 3597-3603 7 p.

Research output: Contribution to journalArticle

7 Scopus citations

Thermodynamic modeling of the In-Pt-Sb system

Guo, C., Li, C., Shang, S. & Du, Z., Jan 1 2014, In : International Journal of Materials Research. 105, 6, p. 525-536 12 p.

Research output: Contribution to journalArticle

3 Scopus citations

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

2 Scopus citations

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

5 Scopus citations

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

2 Scopus citations

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

9 Scopus citations

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

3 Scopus citations

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

6 Scopus citations

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

16 Scopus citations

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

11 Scopus citations

Thermodynamic modelling of the Zn-Zr system

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

Research output: Contribution to journalArticle

47 Scopus citations

Thermodynamic optimization of the Cr-Ti system

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

Research output: Contribution to journalArticle

32 Scopus citations

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

27 Scopus citations

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

20 Scopus citations

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

2 Scopus citations

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

8 Scopus citations

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

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

Research output: Contribution to journalArticle

344 Scopus citations

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

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

5 Scopus citations

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

11 Scopus citations

Thermodynamic properties of binary hcp solution phases from special quasirandom structures

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

Research output: Contribution to journalArticle

97 Scopus citations

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

36 Scopus citations

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

28 Scopus citations

Thermodynamic properties of Ca–Pb electrodes determined by electromotive force measurements

Smith, N. D., Orabona, N. E., Soldan Palma, J. P., Kong, Y., Blanchard, C. & Kim, H., Mar 1 2020, In : Journal of Power Sources. 451, 227745.

Research output: Contribution to journalArticle

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

14 Scopus citations

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

20 Scopus citations

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

6 Scopus citations

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

9 Scopus citations

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

1 Scopus citations

Thermodynamic Properties of Sr-Sn Alloys via Emf Measurements and Thermal Analysis

Smith, N. D., Paz Soldan-Palma, J., Kong, Y., Liu, Z. K. & Kim, H., Jan 5 2020, In : Journal of the Electrochemical Society. 167, 8, 082508.

Research output: Contribution to journalArticle

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

15 Scopus citations

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
1 Scopus citations

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

35 Scopus citations

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

13 Scopus citations

Thermodynamic re-assessment of pure chromium using modified segmented regression model

Obaied, A., Bocklund, B., Zomorodpoosh, S., Zhang, L., Otis, R., Liu, Z. K. & Roslyakova, I., Jun 2020, In : Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 69, 101762.

Research output: Contribution to journalArticle

1 Scopus citations
7 Scopus citations