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Zikui Liu - Publications

Affiliations: 
Pennsylvania State University, State College, PA, United States 
Area:
Materials Science Engineering
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258 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Ma Y, Edgeton A, Paik H, Faeth BD, Parzyck CT, Pamuk B, Shang SL, Liu ZK, Shen KM, Schlom DG, Eom CB. Realization of Epitaxial Thin Films of the Topological Crystalline Insulator Sr SnO. Advanced Materials (Deerfield Beach, Fla.). e2000809. PMID 32666563 DOI: 10.1002/Adma.202000809  0.313
2020 Smith ND, Soldan-Palma JP, Kong Y, Liu Z, Kim H. Thermodynamic properties of Sr-Sn alloys via emf measurements and thermal analysis Journal of the Electrochemical Society. 167: 82508. DOI: 10.1149/1945-7111/Ab8De1  0.407
2020 Bocklund B, Bobbio LD, Otis RA, Beese AM, Liu Z. Experimental validation of Scheil–Gulliver simulations for gradient path planning in additively manufactured functionally graded materials Materialia. 11: 100689. DOI: 10.1016/J.Mtla.2020.100689  0.401
2020 Wang K, Shang S, Wang Y, Vivek A, Daehn G, Liu Z, Li J. Unveiling non-equilibrium metallurgical phases in dissimilar Al-Cu joints processed by vaporizing foil actuator welding Materials & Design. 186: 108306. DOI: 10.1016/J.Matdes.2019.108306  0.356
2020 Wen S, Du Y, Liu Y, Zhou P, Wang J, Liu Z. Measurement of interdiffusivity for fcc_A1 Co-V-W alloys International Journal of Refractory Metals & Hard Materials. 87: 105134. DOI: 10.1016/J.Ijrmhm.2019.105134  0.301
2020 Hu Y, Wang Y, Wang WY, Darling KA, Kecskes LJ, Liu Z. Solute effects on the Σ3 111[11-0] tilt grain boundary in BCC Fe: Grain boundary segregation, stability, and embrittlement Computational Materials Science. 171: 109271. DOI: 10.1016/J.Commatsci.2019.109271  0.355
2020 Li B, Shang S, Zhao J, Itkis DM, Jiao X, Zhang C, Liu Z, Song J. Metastable trigonal SnP: A promising anode material for potassium-ion battery Carbon. 168: 468-474. DOI: 10.1016/J.Carbon.2020.03.048  0.309
2020 Agca C, Lindwall G, McMurray JW, Neuefeind JC, Liu Z, Navrotsky A. Experimental and computational studies of melting of the spinel phase in the Fe–Al–O ternary system Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 70: 101798. DOI: 10.1016/J.Calphad.2020.101798  0.368
2020 Obaied A, Bocklund B, Zomorodpoosh S, Zhang L, Otis R, Liu Z, Roslyakova I. Thermodynamic re-assessment of pure chromium using modified segmented regression model Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 69: 101762. DOI: 10.1016/J.Calphad.2020.101762  0.357
2020 Tang M, Du Y, Zhou P, Wang S, Zhang H, Zeng Y, Liu S, Chai X, Peng Y, Wu C, Su X, Liu Z. Experimental phase diagram, thermodynamic modeling and solidified microstructure in the Mo–Ni–W ternary system Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 68: 101748. DOI: 10.1016/J.Calphad.2020.101748  0.45
2020 Liu Z. Computational Thermodynamics and Its Applications Acta Materialia. DOI: 10.1016/J.Actamat.2020.08.008  0.342
2019 Hu YJ, Zhao G, Zhang B, Yang C, Zhang M, Liu ZK, Qian X, Qi L. Local electronic descriptors for solute-defect interactions in bcc refractory metals. Nature Communications. 10: 4484. PMID 31578329 DOI: 10.1038/S41467-019-12452-7  0.332
2019 Sarder U, Ahmed T, Wang WY, Kozubski R, Liu Z, Belova IV, Murch GE. Mass and thermal transport in liquid Cu-Ag alloys Philosophical Magazine. 99: 468-491. DOI: 10.1080/14786435.2018.1546958  0.343
2019 Qiu L, Du Y, Wu L, Wang S, Zhu J, Cheng W, Tan Z, Yin L, Liu Z, Layyous A. Microstructure, mechanical properties and cutting performances of TiSiCN super-hard nanocomposite coatings deposited using CVD method under the guidance of thermodynamic calculations Surface & Coatings Technology. 378: 124956. DOI: 10.1016/J.Surfcoat.2019.124956  0.326
2019 Wang Y, Chong X, Hu Y, Shang S, Drymiotis FR, Firdosy SA, Star KE, Fleurial J, Ravi VA, Chen L, Liu Z. An alternative approach to predict Seebeck coefficients: Application to La3−xTe4 Scripta Materialia. 169: 87-91. DOI: 10.1016/J.Scriptamat.2019.05.014  0.308
2019 Deng Z, Yin H, Zhang C, Zhang G, Zhang T, Liu Z, Wang H, Qu X. Sintering mechanism of Cu-9Al alloy prepared from elemental powders Progress in Natural Science: Materials International. 29: 425-431. DOI: 10.1016/J.Pnsc.2019.04.007  0.373
2019 Wang W, Li C, Shang S, Cao J, Liu Z, Fang C. Study on impact of Cr and Mo on diffusion of H in 2.25Cr1Mo steel using first-principle calculations Journal of Nuclear Materials. 525: 152-160. DOI: 10.1016/J.Jnucmat.2019.07.036  0.333
2019 Long Q, Zhou J, Sun Q, Du Y, Liu S, Jin Z, Yao Q, Deng J, Zhou H, Shang S, Liu Z. Experimental isothermal section of the Nb-Ni-Ru ternary system at 1100 °C Journal of Alloys and Compounds. 810: 151801. DOI: 10.1016/J.Jallcom.2019.151801  0.396
2019 Leineweber A, Wolf C, Kalanke P, Schimpf C, Becker H, Shang S, Liu Z. From random stacking faults to polytypes: A 12-layer NiSn4 polytype Journal of Alloys and Compounds. 774: 265-273. DOI: 10.1016/J.Jallcom.2018.09.341  0.314
2019 Zhang H, Lin J, Liang Y, Xu S, Xu Y, Shang S, Liu Z. Phase equilibria of Ti–Al–V system at 1300 °C Intermetallics. 115: 106609. DOI: 10.1016/J.Intermet.2019.106609  0.347
2019 Zhang C, Jiang X, Zhang R, Wang X, Yin H, Qu X, Liu Z. High-throughput thermodynamic calculations of phase equilibria in solidified 6016 Al-alloys Computational Materials Science. 167: 19-24. DOI: 10.1016/J.Commatsci.2019.05.022  0.422
2019 Yi Wang W, Li J, Liu W, Liu Z. Integrated computational materials engineering for advanced materials: A brief review Computational Materials Science. 158: 42-48. DOI: 10.1016/J.Commatsci.2018.11.001  0.327
2019 Zhang Z, Chu M, Zhao X, Li K, Shang S, Liu Z, Shen J. Thermodynamic modeling of the Si-Y system aided by first-principles and phonon calculations Calphad. 65: 282-290. DOI: 10.1016/J.Calphad.2019.03.009  0.377
2019 Paulson NH, Bocklund BJ, Otis RA, Liu Z, Stan M. Quantified Uncertainty in Thermodynamic Modeling for Materials Design Acta Materialia. 174: 9-15. DOI: 10.1016/J.Actamat.2019.05.017  0.396
2019 Zhou M, Wang Y, Ji Y, Liu Z, Chen L, Nan C. First-principles lattice dynamics and thermodynamic properties of pre-perovskite PbTiO3 Acta Materialia. 171: 146-153. DOI: 10.1016/J.Actamat.2019.04.008  0.421
2019 Wang WY, Tang B, Shang S, Wang J, Li S, Wang Y, Zhu J, Wei S, Wang J, Darling KA, Mathaudhu SN, Wang Y, Ren Y, Hui XD, Kecskes LJ, ... ... Liu Z, et al. Local lattice distortion mediated formation of stacking faults in Mg alloys Acta Materialia. 170: 231-239. DOI: 10.1016/J.Actamat.2019.03.030  0.346
2019 Zhang Y, Li J, Wang WY, Li P, Tang B, Wang J, Kou H, Shang S, Wang Y, Kecskes LJ, Hui X, Feng Q, Liu Z. When a defect is a pathway to improve stability: a case study of the L12 Co3TM superlattice intrinsic stacking fault Journal of Materials Science. 54: 13609-13618. DOI: 10.1007/S10853-019-03884-Z  0.313
2019 Wen S, Du Y, Liu Y, Zhou P, Liu Z. Atomic mobility evaluation and diffusion matrix for fcc_A1 Co─V─W alloys Journal of Materials Science. 54: 13420-13432. DOI: 10.1007/S10853-019-03840-X  0.337
2018 Hargather CZ, Shang SL, Liu ZK. Data set for diffusion coefficients and relative creep rate ratios of 26 dilute Ni-X alloy systems from first-principles calculations. Data in Brief. 20: 1537-1551. PMID 30258957 DOI: 10.1016/J.Dib.2018.08.144  0.38
2018 Kang JH, Xie L, Wang Y, Lee H, Campbell N, Jiang J, Ryan P, Keavney DJ, Lee JW, Kim TH, Pan X, Hellstrom E, Rzchowski M, Liu ZK, Eom CB. Control of Epitaxial BaFe2As2 Atomic Configurations with Substrate Surface Terminations. Nano Letters. PMID 30149722 DOI: 10.1021/Acs.Nanolett.8B02704  0.304
2018 Gao Q, Zhang H, Yang R, Fan Z, Liu Y, Wang J, Geng X, Gao Y, Shang S, Du Y, Liu Z. Effect of alloying elements on the stacking fault energies of dilute al-based alloys Journal of Mining and Metallurgy, Section B: Metallurgy. 54: 185-196. DOI: 10.2298/Jmmb180107007G  0.332
2018 Bobbio LD, Bocklund B, Otis R, Borgonia JP, Dillon RP, Shapiro AA, McEnerney B, Liu Z, Beese AM. Experimental analysis and thermodynamic calculations of an additively manufactured functionally graded material of V to Invar 36 Journal of Materials Research. 33: 1642-1649. DOI: 10.1557/Jmr.2018.92  0.412
2018 Wang Y, Hu Y, Bocklund B, Shang S, Zhou B, Liu Z, Chen L. First-principles thermodynamic theory of Seebeck coefficients Physical Review B. 98. DOI: 10.1103/Physrevb.98.224101  0.357
2018 Ahmed T, Wang WY, Kozubski R, Liu Z, Belova IV, Murch GE. Interdiffusion and thermotransport in Ni-Al liquid alloys Philosophical Magazine. 98: 2221-2246. DOI: 10.1080/14786435.2018.1479077  0.348
2018 Wang Y, Hu Y, Firdosy SA, Star KE, Fleurial J, Ravi VA, Chen L, Shang S, Liu Z. First-principles calculations of lattice dynamics and thermodynamic properties for Yb14MnSb11 Journal of Applied Physics. 123: 045102. DOI: 10.1063/1.5013601  0.335
2018 Li Z, Miao N, Zhou J, Sun Z, Liu Z, Xu H. High thermoelectric performance of few-quintuple Sb2Te3 nanofilms Nano Energy. 43: 285-290. DOI: 10.1016/J.Nanoen.2017.11.043  0.307
2018 Kim H, Ross AJ, Shang S, Wang Y, Kecskes LJ, Liu Z. First-principles calculations and thermodynamic modelling of long periodic stacking ordered (LPSO) phases in Mg-Al-Gd Materialia. 4: 192-202. DOI: 10.1016/J.Mtla.2018.09.013  0.422
2018 Wu Y, Si J, Lin D, Wang T, Wang WY, Wang Y, Liu Z, Hui X. Phase stability and mechanical properties of AlHfNbTiZr high-entropy alloys Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing. 724: 249-259. DOI: 10.1016/J.Msea.2018.03.071  0.427
2018 Kim H, Wang WY, Shang S, Kecskes LJ, Darling KA, Liu Z. Elastic properties of long periodic stacking ordered phases in Mg-Gd-Al alloys: A first-principles study Intermetallics. 98: 18-27. DOI: 10.1016/J.Intermet.2018.04.009  0.335
2018 Wang Y, Hu Y, Chong X, Palma JPS, Firdosy SA, Star KE, Fleurial J, Ravi VA, Shang S, Chen L, Liu Z. Quasiharmonic calculations of thermodynamic properties for La3−xTe4 system Computational Materials Science. 142: 417-426. DOI: 10.1016/J.Commatsci.2017.10.036  0.36
2018 Marker C, Shang S, Zhao J, Liu Z. Effects of alloying elements on the elastic properties of bcc Ti-X alloys from first-principles calculations Computational Materials Science. 142: 215-226. DOI: 10.1016/J.Commatsci.2017.10.016  0.396
2018 Luo Z, Du Y, Liu Y, Tang S, Pan Y, Mao H, Peng Y, Liu W, Liu Z. Phase field simulation of the phase separation in the TiC-ZrC-WC system Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 63: 190-195. DOI: 10.1016/J.Calphad.2018.10.001  0.388
2018 Hu Y, Paz Soldan Palma J, Wang Y, Firdosy SA, Star KE, Fleurial J, Ravi VA, Liu Z. Thermodynamic modeling of the La-Te system aided by first-principles calculations Calphad. 61: 227-236. DOI: 10.1016/J.Calphad.2018.03.003  0.427
2018 Hargather CZ, Shang S, Liu Z. A comprehensive first-principles study of solute elements in dilute Ni alloys: Diffusion coefficients and their implications to tailor creep rate Acta Materialia. 157: 126-141. DOI: 10.1016/J.Actamat.2018.07.020  0.335
2018 Wang K, Shang S, Wang Y, Liu Z, Liu F. Martensitic transition in Fe via Bain path at finite temperatures: A comprehensive first-principles study Acta Materialia. 147: 261-276. DOI: 10.1016/J.Actamat.2018.01.013  0.358
2018 Wang Y, Yan M, Zhu Q, Wang WY, Wu Y, Hui X, Otis R, Shang S, Liu Z, Chen L. Computation of entropies and phase equilibria in refractory V-Nb-Mo-Ta-W high-entropy alloys Acta Materialia. 143: 88-101. DOI: 10.1016/J.Actamat.2017.10.017  0.418
2018 Li Z, Shang S, Shen J, Liao PH, Liu Z, Anderson TJ. Thermodynamic Assessment of the Ag-Se System Aided by First-Principles Calculations Journal of Phase Equilibria and Diffusion. 39: 870-881. DOI: 10.1007/S11669-018-0683-7  0.412
2018 Jiang C, Liu Z. Revisiting the Phase Stability in Ni-X (X=Mo, Ti, In) Systems Using Ab Initio Calculations Journal of Phase Equilibria and Diffusion. 39: 584-591. DOI: 10.1007/S11669-018-0646-Z  0.4
2018 Chen Z, Liu Z, Zhao J. Experimental Determination of Impurity and Interdiffusion Coefficients in Seven Ti and Zr Binary Systems Using Diffusion Multiples Metallurgical and Materials Transactions A. 49: 3108-3116. DOI: 10.1007/S11661-018-4645-9  0.346
2018 Zhu J, Liu J, Wang Y, Lu K, Chen J, Liu Z, Hui X. Super-High Strength Mg-7.5Al-0.8Zn Alloy Prepared by Rapidly Solidified Powder Metallurgy and Low Temperature Extrusion Advanced Engineering Materials. 20: 1700712. DOI: 10.1002/Adem.201700712  0.341
2017 Guan PW, Liu ZK. A hybrid functional study of native point defects in Cu2SnS3: implications for reducing carrier recombination. Physical Chemistry Chemical Physics : Pccp. 20: 256-261. PMID 29200220 DOI: 10.1039/C7Cp06891C  0.307
2017 Zhao R, Wang Y, Deng DD, Luo X, Lu W, Sun Y, Chen LQ, Liu ZK, Robinson JA. Tuning Phase Transitions in 1T-TaS2 via the Substrate. Nano Letters. PMID 28463560 DOI: 10.1021/Acs.Nanolett.7B00418  0.324
2017 Shang SL, Yu Z, Wang Y, Wang D, Liu ZK. Origin of outstanding phase and moisture stability in Na3P1-xAsxS4 superionic conductor. Acs Applied Materials & Interfaces. PMID 28453260 DOI: 10.1021/Acsami.7B03606  0.353
2017 Otis R, Liu Z. pycalphad: CALPHAD-based Computational Thermodynamics in Python Journal of Open Research Software. 5. DOI: 10.5334/Jors.140  0.363
2017 Wang WY, Wang Y, Shang SL, Darling KA, Kim H, Tang B, Kou HC, Mathaudhu SN, Hui XD, Li JS, Kecskes LJ, Liu Z. Strengthening Mg by self-dispersed nano-lamellar faults Materials Research Letters. 5: 415-425. DOI: 10.1080/21663831.2017.1308973  0.315
2017 Guan P, Shang S, Lindwall G, Anderson T, Liu Z. Phase stability of the Cu-Sn-S system and optimal growth conditions for earth-abundant Cu2SnS3 solar materials Solar Energy. 155: 745-757. DOI: 10.1016/J.Solener.2017.07.017  0.351
2017 Guan P, Liu Z. A physical model of thermal vacancies within the CALPHAD approach Scripta Materialia. 133: 5-8. DOI: 10.1016/J.Scriptamat.2017.02.002  0.333
2017 Liu XL, Shang S, Hu Y, Wang Y, Du Y, Liu Z. Insight into γ-Ni/γ′-Ni3Al interfacial energy affected by alloying elements Materials & Design. 133: 39-46. DOI: 10.1016/J.Matdes.2017.07.028  0.358
2017 Han JJ, Wang CP, Wang J, Liu XJ, Wang Y, Liu Z. Compositional design of Fe-based multi-component bulk metallic glass based on CALPHAD method Materials & Design. 126: 47-56. DOI: 10.1016/J.Matdes.2017.04.030  0.386
2017 Guan PW, Shang SL, Lindwall G, Anderson T, Liu ZK. First-principles calculations and thermodynamic modeling of the S-Se system and implications for chalcogenide alloys Journal of Alloys and Compounds. 694: 510-521. DOI: 10.1016/J.Jallcom.2016.10.037  0.431
2017 Hu B, Yuan X, Du Y, Wang J, Liu ZK. Thermodynamic reassessment of the Ni–Si–Ti system using a four-sublattice model for ordered/disordered fcc phases supported by first-principles calculations Journal of Alloys and Compounds. 693: 344-356. DOI: 10.1016/J.Jallcom.2016.09.182  0.416
2017 Marker C, Shang S, Zhao J, Liu Z. Elastic knowledge base of bcc Ti alloys from first-principles calculations and CALPHAD-based modeling Computational Materials Science. 140: 121-139. DOI: 10.1016/J.Commatsci.2017.08.037  0.381
2017 Guan P, Shang S, Lindwall G, Anderson T, Liu Z. Thermodynamic modeling of phase equilibria and defect chemistry in the Zn-S system Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 59: 171-181. DOI: 10.1016/J.Calphad.2017.10.006  0.396
2017 Hu Y, Fellinger MR, Butler BG, Wang Y, Darling KA, Kecskes LJ, Trinkle DR, Liu Z. Solute-induced solid-solution softening and hardening in bcc tungsten Acta Materialia. 141: 304-316. DOI: 10.1016/J.Actamat.2017.09.019  0.352
2017 Bobbio LD, Otis R, Borgonia JPC, Dillon RP, Shapiro AA, Liu Z, Beese AM. Additive manufacturing of a functionally graded material from Ti-6Al-4V to Invar: Experimental characterization and thermodynamic calculations Acta Materialia. 127: 133-142. DOI: 10.1016/J.Actamat.2016.12.070  0.432
2017 Otis RA, Liu Z. High-Throughput Thermodynamic Modeling and Uncertainty Quantification for ICME Jom. 69: 886-892. DOI: 10.1007/S11837-017-2318-6  0.353
2017 Wang WY, Wang J, Lin D, Zou C, Wu Y, Hu Y, Shang S, Darling KA, Wang Y, Hui X, Li J, Kecskes LJ, Liaw PK, Liu Z. Revealing the Microstates of Body-Centered-Cubic (BCC) Equiatomic High Entropy Alloys Journal of Phase Equilibria and Diffusion. 38: 404-415. DOI: 10.1007/S11669-017-0565-4  0.334
2017 Gheno T, Zhou B, Ross A, Liu X, Lindwall G, Liu Z, Gleeson B. A Thermodynamic Approach to Guide Reactive Element Doping: Hf Additions to NiCrAl Oxidation of Metals. 87: 297-310. DOI: 10.1007/S11085-016-9706-0  0.378
2016 Shang SL, Lindwall G, Wang Y, Redwing JM, Anderson T, Liu ZK. Lateral Versus Vertical Growth of Two-Dimensional Layered Transition-Metal Dichalcogenides: Thermodynamic Insight into MoS2. Nano Letters. PMID 27540753 DOI: 10.1021/Acs.Nanolett.6B02443  0.326
2016 Xu WW, Shang SL, Zhou BC, Wang Y, Chen LJ, Wang CP, Liu XJ, Liu ZK. A first-principles study of the diffusion coefficients of alloying elements in dilute α-Ti alloys. Physical Chemistry Chemical Physics : Pccp. PMID 27282515 DOI: 10.1039/C6Cp01899H  0.369
2016 Levchenko EV, Evteev AV, Ahmed T, Kromik A, Kozubski R, Belova IV, Liu Z, Murch GE. Influence of the interatomic potential on thermotransport in binary liquid alloys: case study on NiAl Philosophical Magazine. 96: 3054-3074. DOI: 10.1080/14786435.2016.1223893  0.367
2016 Lindwall G, Shang S, Kelly NR, Anderson T, Liu ZK. Thermodynamics of the S-Sn system: Implication for synthesis of earth abundant photovoltaic absorber materials Solar Energy. 125: 314-323. DOI: 10.1016/J.Solener.2015.12.013  0.347
2016 Wang WY, Darling KA, Wang Y, Shang SL, Kecskes LJ, Hui XD, Liu ZK. Power law scaled hardness of Mn strengthened nanocrystalline Al-Mn non-equilibrium solid solutions Scripta Materialia. 120: 31-36. DOI: 10.1016/J.Scriptamat.2016.04.003  0.334
2016 Wang F, Lin JP, Liang YF, Shang SL, Liu ZK. Fabrication of nano-porous γ-Al2O3 layers on porous Ti-48Al-6Nb alloys Materials and Design. 109: 700-708. DOI: 10.1016/J.Matdes.2016.07.105  0.319
2016 Feng XK, Shi S, Shen JY, Shang SL, Yao MY, Liu ZK. Lattice dynamics, thermodynamics and elastic properties of C22-Zr6FeSn2 from first-principles calculations Journal of Nuclear Materials. 479: 461-469. DOI: 10.1016/J.Jnucmat.2016.07.027  0.336
2016 Hu YJ, Shang S, Wang Y, Darling KA, Butler BG, Kecskes LJ, Liu Z. Effects of alloying elements and temperature on the elastic properties of W-based alloys by first-principles calculations Journal of Alloys and Compounds. 671: 267-275. DOI: 10.1016/J.Jallcom.2016.02.018  0.391
2016 Yao Q, Shang SL, Hu YJ, Wang Y, Zhu YH, Liu ZK. First-principles investigation of phase stability, elastic and thermodynamic properties in L12 Co3(Al,Mo,Nb) phase Intermetallics. 78: 1-7. DOI: 10.1016/J.Intermet.2016.08.002  0.394
2016 Long Q, Nie X, Shang SL, Wang J, Du Y, Jin Z, Liu ZK. C15 NbCr2 Laves phase with mechanical properties beyond Pugh's criterion Computational Materials Science. 121: 167-173. DOI: 10.1016/J.Commatsci.2016.04.042  0.329
2016 Bakkedal MB, Shang SL, Liu ZK, Somers MAJ. Generalization of first-principles thermodynamic model: Application to hexagonal close-packed ε-Fe3N Computational Materials Science. 117: 83-89. DOI: 10.1016/J.Commatsci.2016.01.022  0.389
2016 Liu XL, Lindwall G, Otis R, Kim H, Liu Z. Thermodynamic remodeling of the Al–Pt system towards an assessment of the Al–Ni–Pt system Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 55: 88-102. DOI: 10.1016/J.Calphad.2016.08.002  0.411
2016 Liu XL, Lindwall G, Gheno T, Liu ZK. Thermodynamic modeling of Al-Co-Cr, Al-Co-Ni, Co-Cr-Ni ternary systems towards a description for Al-Co-Cr-Ni Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 52: 125-142. DOI: 10.1016/J.Calphad.2015.12.007  0.427
2016 Shang SL, Zhou BC, Wang WY, Ross AJ, Liu XL, Hu YJ, Fang HZ, Wang Y, Liu ZK. A comprehensive first-principles study of pure elements: Vacancy formation and migration energies and self-diffusion coefficients Acta Materialia. 109: 128-141. DOI: 10.1016/J.Actamat.2016.02.031  0.346
2016 Zhou BC, Shang SL, Wang Y, Liu ZK. Diffusion coefficients of alloying elements in dilute Mg alloys: A comprehensive first-principles study Acta Materialia. 103: 573-586. DOI: 10.1016/J.Actamat.2015.10.010  0.393
2016 Xin J, du Y, Shang S, Cui S, Wang J, Huang B, Liu Z. A New Relationship Among Self- and Impurity Diffusion Coefficients in Binary Solution Phases Metallurgical and Materials Transactions a: Physical Metallurgy and Materials Science. 1-5. DOI: 10.1007/S11661-016-3537-0  0.34
2016 Ozturk K, Zhong Y, Liu Z, Luo AA. Computational Thermodynamics and Experimental Investigation of Mg-Al-Ca Alloys Magnesium Technology. 415-419. DOI: 10.1007/978-3-319-48099-2_66  0.371
2015 Zhou BC, Shang SL, Wang Y, Liu ZK. Data set for diffusion coefficients of alloying elements in dilute Mg alloys from first-principles. Data in Brief. 5: 900-12. PMID 26702419 DOI: 10.1016/J.Dib.2015.10.024  0.375
2015 Han J, Wang C, Liu X, Wang Y, Liu ZK, Jiang J. Atomic-level mechanisms of nucleation of pure liquid metals during the rapid cooling. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 26502833 DOI: 10.1002/Cphc.201500699  0.336
2015 Hu YJ, Li J, Darling KA, Wang WY, VanLeeuwen BK, Liu XL, Kecskes LJ, Dickey EC, Liu ZK. Nano-sized Superlattice Clusters Created by Oxygen Ordering in Mechanically Alloyed Fe Alloys. Scientific Reports. 5: 11772. PMID 26134420 DOI: 10.1038/Srep11772  0.388
2015 Liu XL, Gheno T, Lindahl BB, Lindwall G, Gleeson B, Liu ZK. First-principles calculations, experimental study, and thermodynamic modeling of the Al-Co-Cr system. Plos One. 10: e0121386. PMID 25875037 DOI: 10.1371/Journal.Pone.0121386  0.42
2015 Fang H, Wang Y, Shang S, Liu ZK. Nature of ferroelectric-paraelectric phase transition and origin of negative thermal expansion in PbTi O3 Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.024104  0.381
2015 Yu Z, Shang SL, Gordin ML, Mousharraf A, Liu ZK, Wang D. Ti-substituted Li[Li0.26Mn0.6-xTixNi0.07Co0.07]O2 layered cathode material with improved structural stability and suppressed voltage fading Journal of Materials Chemistry A. 3: 17376-17384. DOI: 10.1039/C5Ta03764F  0.303
2015 Shang S, Wang Y, Guan P, Wang WY, Fang H, Anderson T, Liu ZK. Insight into structural, elastic, phonon, and thermodynamic properties of α-sulfur and energy-related sulfides: A comprehensive first-principles study Journal of Materials Chemistry A. 3: 8002-8014. DOI: 10.1039/C4Ta07062C  0.304
2015 Ou P, Wang J, Shang S, Chen L, Du Y, Liu Z, Zheng F. A first-principles study of structure, elasticity and thermal decomposition of Ti1−xTMxN alloys (TM=Y, Zr, Nb, Hf, and Ta) Surface and Coatings Technology. 264: 41-48. DOI: 10.1016/J.Surfcoat.2015.01.024  0.376
2015 Xu W, Wang Y, Wang C, Liu X, Liu Z. Alloying effects of Ta on the mechanical properties of γ’ Co3(Al, W): A first-principles study Scripta Materialia. 100: 5-8. DOI: 10.1016/J.Scriptamat.2014.11.029  0.334
2015 Wang A, He M, Zhang R, Du Y, Chen D, Fan B, Shang SL, Liu ZK. Mechanical properties and spinodal decomposition of TixAl1-x-yZryN coatings Physics Letters, Section a: General, Atomic and Solid State Physics. 379: 2037-2040. DOI: 10.1016/J.Physleta.2015.06.047  0.303
2015 Wang F, Liang Y, Shang S, Liu ZK, Lin J. Phase transformation in Ti-48Al-6Nb porous alloys and its influence on pore properties Materials and Design. 83: 508-513. DOI: 10.1016/J.Matdes.2015.05.072  0.388
2015 Wang WY, Shang SL, Wang Y, Hu YJ, Darling KA, Kecskes LJ, Mathaudhu SN, Hui XD, Liu ZK. Lattice distortion induced anomalous ferromagnetism and electronic structure in FCC Fe and Fe-TM (TM = Cr, Ni, Ta and Zr) alloys Materials Chemistry and Physics. 162: 748-756. DOI: 10.1016/J.Matchemphys.2015.06.051  0.35
2015 Li J, Huang L, Liang Y, Ye F, Lin J, Shang S, Liu Z. Crystal structure and phase stability of AlSc in the near-equiatomic Al-Sc alloy Journal of Alloys and Compounds. 618: 192-196. DOI: 10.1016/J.Jallcom.2014.08.111  0.413
2015 Darling KA, Tschopp MA, Liu ZK. Rebuttal comments on "mitigating grain growth in binary nanocrystalline alloys through solute selection based on thermodynamic stability maps", Computational Materials Science. 107: 238-242. DOI: 10.1016/J.Commatsci.2015.04.052  0.369
2015 Liu XL, Vanleeuwen BK, Shang SL, Du Y, Liu ZK. On the scaling factor in Debye-Grüneisen model: A case study of the Mg-Zn binary system Computational Materials Science. 98: 34-41. DOI: 10.1016/J.Commatsci.2014.10.056  0.319
2015 Lindwall G, Liu XL, Ross A, Fang H, Zhou BC, Liu ZK. Thermodynamic modeling of the aluminum-iron-oxygen system Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 51: 178-192. DOI: 10.1016/J.Calphad.2015.09.004  0.398
2015 Lindahl B, Liu XL, Liu ZK, Selleby M. A thermodynamic re-assessment of Al-V toward an assessment of the ternary Al-Ti-V system Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 51: 75-88. DOI: 10.1016/J.Calphad.2015.07.002  0.314
2015 Gao Q, Shang S, Wang J, Wang J, Du Y, Liu Z. [P8] Effects of alloying elements on the stacking fault energies of dilute Al-based alloys Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 51: 373. DOI: 10.1016/J.Calphad.2015.01.097  0.33
2015 Wang J, Du Y, Shang S, Liu Z, Li Y. [P6] Effects of alloying elements on elastic properties of Al by first-principles calculations Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 51: 372-373. DOI: 10.1016/J.Calphad.2015.01.095  0.357
2015 Xu W, Wang Y, Wang C, Liu X, Liu Z. [P3] Effects of doping Ta on the ideal strength of γ’ Co3(Al, W) phase: A first principles study Calphad. 51: 372. DOI: 10.1016/J.Calphad.2015.01.093  0.321
2015 Guo C, Shang S, Du Z, Jablonski PD, Gao MC, Liu Z. Thermodynamic modeling of the CaO-CaF2-Al2O3 system aided by first-principles calculations Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 48: 113-122. DOI: 10.1016/J.Calphad.2014.12.002  0.339
2015 Wang WY, Shang SL, Wang Y, Kim H, Darling KA, Kecskes LJ, Mathaudhu SN, Hui XD, Liu ZK. Solid-Solution Hardening in Mg-Gd-TM (TM = Ag, Zn, and Zr) Alloys: An Integrated Density Functional Theory and Electron Work Function Study Jom. 67: 2433-2441. DOI: 10.1007/S11837-015-1555-9  0.381
2015 Wang WY, Shang SL, Wang Y, Fang HZ, Mathaudhu SN, Hui XD, Liu ZK. Impact of W on structural evolution and diffusivity of Ni–W melts: an ab initio molecular dynamics study Journal of Materials Science. 50: 1071-1081. DOI: 10.1007/S10853-014-8664-7  0.339
2014 Liu ZK, Wang Y, Shang S. Thermal expansion anomaly regulated by entropy. Scientific Reports. 4: 7043. PMID 25391631 DOI: 10.1038/Srep07043  0.303
2014 Hofmann DC, Roberts S, Otis R, Kolodziejska J, Dillon RP, Suh JO, Shapiro AA, Liu ZK, Borgonia JP. Developing gradient metal alloys through radial deposition additive manufacturing. Scientific Reports. 4: 5357. PMID 24942329 DOI: 10.1038/Srep05357  0.351
2014 Dri FL, Shang S, Hector LG, Saxe P, Liu ZK, Moon RJ, Zavattieri PD. Anisotropy and temperature dependence of structural, thermodynamic, and elastic properties of crystalline cellulose Iβ: A first-principles investigation Modelling and Simulation in Materials Science and Engineering. 22. DOI: 10.1088/0965-0393/22/8/085012  0.363
2014 Evteev AV, Levchenko EV, Belova IV, Kozubski R, Liu Z, Murch GE. Thermotransport in binary system: case study on Ni50Al50 melt Philosophical Magazine. 94: 3574-3602. DOI: 10.1080/14786435.2014.965236  0.317
2014 Shang S, Wang Y, Lindwall G, Kelly NR, Anderson TJ, Liu ZK. Cation disorder regulation by microstate configurational entropy in photovoltaic absorber materials Cu2ZnSn(S,Se)4 Journal of Physical Chemistry C. 118: 24884-24889. DOI: 10.1021/Jp508840S  0.347
2014 Wang WY, Shang SL, Wang Y, Darling KA, Kecskes LJ, Mathaudhu SN, Hui XD, Liu ZK. Electronic structures of long periodic stacking order structures in Mg: A first-principles study Journal of Alloys and Compounds. 586: 656-662. DOI: 10.1016/J.Jallcom.2013.10.068  0.306
2014 Han J, Wang WY, Wang C, Hui X, Liu X, Liu Z. Origin of enhanced glass-forming ability of Ce-containing Al–Fe alloy: Ab initio molecular dynamics study Intermetallics. 46: 29-39. DOI: 10.1016/J.Intermet.2013.10.012  0.388
2014 Liang Y, Yang F, Zhang L, Lin J, Shang S, Liu Z. Reaction behavior and pore formation mechanism of TiAl–Nb porous alloys prepared by elemental powder metallurgy Intermetallics. 44: 1-7. DOI: 10.1016/J.Intermet.2013.08.001  0.353
2014 Wang Y, Chen L, Liu Z. YPHON: A package for calculating phonons of polar materials Computer Physics Communications. 185: 2950-2968. DOI: 10.1016/J.Cpc.2014.06.023  0.314
2014 Shang S, Wang Y, Du Y, Tschopp MA, Liu ZK. Integrating computational modeling and first-principles calculations to predict stacking fault energy of dilute multicomponent Ni-base alloys Computational Materials Science. 91: 50-55. DOI: 10.1016/J.Commatsci.2014.04.040  0.411
2014 Hargather CZ, Shang S, Liu Z, Du Y. A first-principles study of self-diffusion coefficients of fcc Ni Computational Materials Science. 86: 17-23. DOI: 10.1016/J.Commatsci.2014.01.003  0.358
2014 Mei Z, Wang Y, Shang S, Liu Z. First-principles study of the mechanical properties and phase stability of TiO2 Computational Materials Science. 83: 114-119. DOI: 10.1016/J.Commatsci.2013.11.020  0.395
2014 Gao Q, Wang J, Shang S, Liu S, Du Y, Liu Z. First-principles calculations of finite-temperature thermodynamic properties of binary solid solutions in the Al–Cu–Mg system Calphad. 47: 196-210. DOI: 10.1016/J.Calphad.2014.10.004  0.438
2014 Zhou B, Shang S, Liu Z. First-principles calculations and thermodynamic modeling of the Sn−Sr and Mg−Sn−Sr systems Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 46: 237-248. DOI: 10.1016/J.Calphad.2014.04.003  0.394
2014 Liu Z. Perspective on Materials Genome® Chinese Science Bulletin. 59: 1619-1623. DOI: 10.1007/S11434-013-0072-X  0.356
2014 Wang A, Shang S, He M, Du Y, Chen L, Zhang R, Chen D, Fan B, Meng F, Liu Z. Temperature-dependent elastic stiffness constants of fcc-based metal nitrides from first-principles calculations Journal of Materials Science. 49: 424-432. DOI: 10.1007/S10853-013-7721-Y  0.359
2013 Lee SH, Manga VR, Carolan MF, Liu Z. Defect Chemistry and Phase Equilibria of (La1-xCax)FeO3-δThermodynamic Modeling Journal of the Electrochemical Society. 160: F1103-F1108. DOI: 10.1149/2.105309Jes  0.354
2013 Wang Y, Zhang LA, Shang S, Liu Z, Chen L. Accurate calculations of phonon dispersion in CaF2and CeO2 Physical Review B. 88. DOI: 10.1103/Physrevb.88.024304  0.328
2013 Wang WY, Shang SL, Wang Y, Mei Z, Darling KA, Kecskes LJ, Mathaudhu SN, Hui XD, Liu Z. Effects of Alloying Elements on Stacking Fault Energies and Electronic Structures of Binary Mg Alloys: A First-Principles Study Materials Research Letters. 2: 29-36. DOI: 10.1080/21663831.2013.858085  0.335
2013 Yang F, Zhang L, Lin J, Liang Y, He Y, Shang S, Liu Z. Pore structure and gas permeability of high Nb-containing TiAl porous alloys by elemental powder metallurgy for microfiltration application Intermetallics. 33: 2-7. DOI: 10.1016/J.Intermet.2012.07.022  0.335
2013 Han J, Wang WY, Wang C, Wang Y, Liu X, Liu Z. Accurate determination of thermodynamic properties for liquid alloys based on ab initio molecular dynamics simulation Fluid Phase Equilibria. 360: 44-53. DOI: 10.1016/J.Fluid.2013.09.006  0.406
2013 Liu XL, Hargather CZ, Liu Z. First-principles aided thermodynamic modeling of the Nb–Re system Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 41: 119-127. DOI: 10.1016/J.Calphad.2013.02.006  0.424
2013 Zhong Y, Saengdeejing A, Kecskes L, Klotz B, Liu ZK. Experimental and computational studies of the Cu-Hf binary system Acta Materialia. 61: 660-669. DOI: 10.1016/J.Actamat.2012.10.014  0.363
2013 Wang Y, Shang S, Chen L, Liu Z. Density Functional Theory-Based Database Development and CALPHAD Automation Jom. 65: 1533-1539. DOI: 10.1007/S11837-013-0751-8  0.417
2013 Lin D, Wang Y, Shang S, Lu Z, Liu Z, Hui X. A new many-body potential with the second-moment approximation of tight-binding scheme for Hafnium Science China Physics, Mechanics and Astronomy. 56: 2071-2080. DOI: 10.1007/S11433-013-5219-X  0.345
2012 Zhang H, Shang S, Wang Y, Chen L, Liu Z. Thermodynamic properties of Laves phases in the Mg–Al–Ca system at finite temperature from first-principles Intermetallics. 22: 17-23. DOI: 10.1016/J.Intermet.2011.08.019  0.414
2012 Zacherl CL, Shang SL, Saengdeejing A, Liu ZK. Phase stability and thermodynamic modeling of the Re-Ti system supplemented by first-principles calculations Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 38: 71-80. DOI: 10.1016/J.Calphad.2012.05.001  0.448
2012 Lieser AC, Zacherl CL, Saengdeejing A, Liu ZK, Kecskes LJ. First-principles calculations and thermodynamic re-modeling of the Hf-W system Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 38: 92-99. DOI: 10.1016/J.Calphad.2012.04.005  0.421
2012 Wang A, Shang S, Zhao D, Wang J, Chen L, Du Y, Liu Z, Xu T, Wang S. Structural, phonon and thermodynamic properties of fcc-based metal nitrides from first-principles calculations Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 37: 126-131. DOI: 10.1016/J.Calphad.2012.02.008  0.391
2012 Saengdeejing A, Saal JE, Manga VR, Liu ZK. Defects in boron carbide: First-principles calculations and CALPHAD modeling Acta Materialia. 60: 7207-7215. DOI: 10.1016/J.Actamat.2012.09.029  0.306
2012 Kim D, Shang S, Liu Z. Effects of alloying elements on thermal expansions of γ-Ni and γ′-Ni3Al by first-principles calculations Acta Materialia. 60: 1846-1856. DOI: 10.1016/J.Actamat.2011.12.005  0.418
2012 Wang WY, Shang SL, Fang HZ, Zhang H, Wang Y, Mathaudhu SN, Hui XD, Liu Z. Effects of Composition on Atomic Structure, Diffusivity, and Viscosity of Liquid Al-Zr Alloys Metallurgical and Materials Transactions A. 43: 3471-3480. DOI: 10.1007/S11661-011-1054-8  0.334
2012 Wang A, Shang S, Du Y, Chen L, Wang J, Liu Z. Effects of pressure and vibration on the thermal decomposition of cubic Ti1-x Al x N, Ti1-x Zr x N, and Zr1-x Al x N coatings: a first-principles study Journal of Materials Science. 47: 7621-7627. DOI: 10.1007/S10853-011-6223-Z  0.385
2011 Wang Y, Zacherl CL, Shang S, Chen LQ, Liu ZK. Phonon dispersions in random alloys: a method based on special quasi-random structure force constants. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 23: 485403. PMID 22080800 DOI: 10.1088/0953-8984/23/48/485403  0.354
2011 Mei ZG, Wang Y, Shang SL, Liu ZK. First-principles study of lattice dynamics and thermodynamics of TiO2 polymorphs. Inorganic Chemistry. 50: 6996-7003. PMID 21714527 DOI: 10.1021/Ic200349P  0.374
2011 Elmadani AM, Green DJ, Mei Z, Liu Z, Dynan S. Effect of Lead Oxide Vapor on the Strength of Alumina International Journal of Applied Ceramic Technology. 8: 1517-1524. DOI: 10.1111/J.1744-7402.2011.02619.X  0.357
2011 Mei Z, Shang S, Wang Y, Liu Z. Thermodynamics of multiferroic BiFeO3: Applications for the deposition of BiFeO3 thin films Applied Physics Letters. 98: 131904. DOI: 10.1063/1.3573809  0.378
2011 Liu Z, Wang Y, Shang S. Origin of negative thermal expansion phenomenon in solids Scripta Materialia. 65: 664-667. DOI: 10.1016/J.Scriptamat.2011.07.001  0.34
2011 Wang J, Shang S, Wang Y, Mei Z, Liang Y, Du Y, Liu Z. First-principles calculations of binary Al compounds: Enthalpies of formation and elastic properties Calphad. 35: 562-573. DOI: 10.1016/J.Calphad.2011.09.009  0.388
2011 Kim D, Saal JE, Zhou L, Shang S, Du Y, Liu ZK. Thermodynamic modeling of fcc order/disorder transformations in the CoPt system Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 35: 323-330. DOI: 10.1016/J.Calphad.2011.04.005  0.408
2011 Wang J, Xu H, Shang S, Zhang L, Du Y, Zhang W, Liu S, Wang P, Liu Z. Experimental investigation and thermodynamic modeling of the Cu–Si–Zn system with the refined description for the Cu–Zn system Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 35: 191-203. DOI: 10.1016/J.Calphad.2011.02.001  0.416
2011 Wang Y, Saal JE, Wu P, Wang J, Shang S, Liu ZK, Chen LQ. First-principles lattice dynamics and heat capacity of BiFeO3 Acta Materialia. 59: 4229-4234. DOI: 10.1016/J.Actamat.2011.03.047  0.307
2010 Shang SL, Zhang H, Wang Y, Liu ZK. Temperature-dependent elastic stiffness constants of α- and θ-Al2O3 from first-principles calculations. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 375403. PMID 21403195 DOI: 10.1088/0953-8984/22/37/375403  0.316
2010 Mei ZG, Shang SL, Wang Y, Liu ZK. First-principles study of structural and elastic properties of monoclinic and orthorhombic BiMnO3. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 295404. PMID 21399306 DOI: 10.1088/0953-8984/22/29/295404  0.386
2010 Saal JE, Shang S, Wang Y, Liu ZK. Magnetic phase transformations of face-centered cubic and hexagonal close-packed Co at zero Kelvin. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 096006. PMID 21389433 DOI: 10.1088/0953-8984/22/9/096006  0.34
2010 Saal JE, Wang Y, Shang S, Liu ZK. Thermodynamic properties of Co3O4 and Sr6Co5O15 from first-principles. Inorganic Chemistry. 49: 10291-8. PMID 20942434 DOI: 10.1021/Ic100835A  0.362
2010 Saal JE, Shin D, Stevenson AJ, Messing GL, Liu ZK. First-principles thermochemistry and thermodynamic modeling of the Al 2O3-Nd2O3-SiO2-Y 2O3 pseudoquaternary system Journal of the American Ceramic Society. 93: 4158-4167. DOI: 10.1111/J.1551-2916.2010.03993.X  0.342
2010 Wang Y, Saal JE, Mei Z, Wu P, Wang J, Shang S, Liu ZK, Chen LQ. A first-principles scheme to phonons of high temperature phase: No imaginary modes for cubic SrTiO3 Applied Physics Letters. 97. DOI: 10.1063/1.3505338  0.363
2010 Shang S, Wang Y, Du Y, Liu Z. Entropy favored ordering: Phase stability of Ni3Pt revisited by first-principles Intermetallics. 18: 961-964. DOI: 10.1016/J.Intermet.2010.01.011  0.392
2010 Saengdeejing A, Wang Y, Liu ZK. Structural and thermodynamic properties of compounds in the Mg-B-C system from first-principles calculations Intermetallics. 18: 803-808. DOI: 10.1016/J.Intermet.2009.12.015  0.348
2010 Lee SH, Manga VR, Liu Z. Effect of Mg, Ca, and Zn on stability of LiBH4 through computational thermodynamics International Journal of Hydrogen Energy. 35: 6812-6821. DOI: 10.1016/J.Ijhydene.2010.04.014  0.356
2010 Shang S, Wang Y, Kim D, Liu Z. First-principles thermodynamics from phonon and Debye model: Application to Ni and Ni3Al Computational Materials Science. 47: 1040-1048. DOI: 10.1016/J.Commatsci.2009.12.006  0.402
2010 Kim D, Shang S, Liu Z. Effects of alloying elements on elastic properties of Ni3Al by first-principles calculations Intermetallics. 18: 1163-1171. DOI: 10.1016/J.Commatsci.2009.07.014  0.409
2010 Lee SH, Liu Z. First-principles calculations and thermodynamic modeling of Cs–In system Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 34: 134-137. DOI: 10.1016/J.Calphad.2010.01.005  0.416
2010 Valdes J, Shang S, Liu Z, King P, Liu X. Quenching Differential Thermal Analysis and Thermodynamic Calculation to Determine Partition Coefficients of Solute Elements in Simplified Ni-Base Superalloys Metallurgical and Materials Transactions a-Physical Metallurgy and Materials Science. 41: 487-498. DOI: 10.1007/S11661-009-0132-7  0.398
2010 Yu C, Hui X, Chen X, Liu X, Lin D, Liu Z, Chen G. Ab initio molecular dynamics simulation of the atom packing and density of Al-Ni amorphous alloys Science China Technological Sciences. 53: 3175-3182. DOI: 10.1007/S11431-010-4173-3  0.365
2010 Task MN, Kim DE, Liu ZK, Gleeson B, Pettit FS, Meier GH. Phase stability and oxidation behavior of an alumina scale-forming NiCrAlY alloy Oxidation of Metals. 74: 179-191. DOI: 10.1007/S11085-010-9206-6  0.381
2009 Lee S, Randall CA, Liu ZK. Factors limiting equilibrium in fabricating a simple ferroelectric oxide: BaTiO3 Journal of the American Ceramic Society. 92: 222-228. DOI: 10.1111/J.1551-2916.2008.02859.X  0.362
2009 Mei Z, Shang S, Wang Y, Liu Z. Density-functional study of the thermodynamic properties and the pressure–temperature phase diagram of Ti Physical Review B. 80. DOI: 10.1103/Physrevb.80.104116  0.376
2009 Mei Z, Shang S, Wang Y, Liu Z. Density-functional study of the pressure-induced phase transitions in Ti at zero Kelvin Physical Review B. 79. DOI: 10.1103/Physrevb.79.134102  0.34
2009 Lee S, Rossetti GA, Liu ZK, Randall CA. Intrinsic ferroelectric properties of the nonstoichiometric perovskite oxide Ba1-x Ti1-y O3-x-2y Journal of Applied Physics. 105. DOI: 10.1063/1.3109210  0.349
2009 Preußner J, Prins S, Völkl R, Liu Z, Glatzel U. Determination of phases in the system chromium-platinum (Cr-Pt) and thermodynamic calculations Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing. 322-327. DOI: 10.1016/J.Msea.2008.10.059  0.404
2009 Wang A, Zhou L, Kong Y, Du Y, Liu Z, Shang S, Ouyang Y, Wang J, Zhang L, Wang J. First-principles study of binary special quasirandom structures for the Al–Cu, Al–Si, Cu–Si, and Mg–Si systems Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 33: 769-773. DOI: 10.1016/J.Calphad.2009.10.007  0.377
2009 Garay A, Trápaga G, Liu Z, Arróyave R. Thermodynamic modeling of the Si–Sr system Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 33: 550-556. DOI: 10.1016/J.Calphad.2009.07.001  0.384
2009 Hallstedt B, Liu Z. Software for thermodynamic and kinetic calculation and modelling Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 33: 265. DOI: 10.1016/J.Calphad.2009.04.002  0.304
2009 Xiong W, Kong Y, Du Y, Liu Z, Selleby M, Sun W. Thermodynamic investigation of the galvanizing systems, I: Refinement of the thermodynamic description for the Fe–Zn system Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 33: 433-440. DOI: 10.1016/J.Calphad.2009.01.002  0.386
2009 Liu Z. The EMPMD: A positive force in TMS programming Jom. 61: 10-10. DOI: 10.1007/S11837-009-0080-0  0.337
2009 Liu Z. Thermodynamic calculations and phase diagrams for magnesium and its alloys: Part II Jom. 61: 67-67. DOI: 10.1007/S11837-009-0074-Y  0.437
2009 Liu Z. First-Principles Calculations and CALPHAD Modeling of Thermodynamics Journal of Phase Equilibria and Diffusion. 30: 517-534. DOI: 10.1007/S11669-009-9570-6  0.405
2008 Valdes J, Kim D, Shang S, Liu X, King P, Liu Z. Investigation Of The Partition Coefficients In The Ni-Fe-Nb Alloys: A Thermodynamic And Experimental Approach Superalloys. 333-337. DOI: 10.7449/2008/Superalloys_2008_333_337  0.391
2008 Saal JE, Shin D, Stevenson AJ, Messing GL, Liu ZK. First-principles calculations and thermodynamic modeling of the Al 2O3-Nd2O3 system Journal of the American Ceramic Society. 91: 3355-3361. DOI: 10.1111/J.1551-2916.2008.02618.X  0.418
2008 Lee S, Randall CA, Liu ZK. Comprehensive linkage of defect and phase equilibria through ferroelectric transition behavior in BaTiO3-based dielectrics: Part 2. Defect modeling under low oxygen partial pressure conditions Journal of the American Ceramic Society. 91: 1753-1761. DOI: 10.1111/J.1551-2916.2008.02372.X  0.373
2008 Lee S, Randall CA, Liu ZK. Comprehensive linkage of defect and phase equilibria through ferroelectric transition behavior in BaTiO3-based dielectrics: Part 1. Defect energies under ambient air conditions Journal of the American Ceramic Society. 91: 1748-1752. DOI: 10.1111/J.1551-2916.2008.02297.X  0.358
2008 Zhang H, Wang Y, Shang S, Chen L, Liu Z. Thermodynamic modeling of Mg–Ca–Ce system by combining first-principles and CALPHAD method Journal of Alloys and Compounds. 463: 294-301. DOI: 10.1016/J.Jallcom.2007.09.020  0.328
2008 Shin D, Golumbfskie WJ, Ryba ER, Liu ZK. First-principles study of Al-Ni-Y ternary compounds for crystal structure validation Journal of Alloys and Compounds. 462: 262-266. DOI: 10.1016/J.Jallcom.2007.08.010  0.369
2008 He C, Du Y, Chen H, Liu S, Xu H, Ouyang Y, Liu Z. Thermodynamic modeling of the Cu–Mn system supported by key experiments Journal of Alloys and Compounds. 457: 233-238. DOI: 10.1016/J.Jallcom.2007.03.041  0.398
2008 Teranishi K, Raghavan P, Zhang J, Wang T, Chen L, Liu Z. Readily regenerable reduced microstructure representations Computational Materials Science. 42: 368-379. DOI: 10.1016/J.Commatsci.2007.07.015  0.325
2008 Shin D, Saal JE, Liu ZK. Thermodynamic modeling of the Cu-Si system Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 32: 520-526. DOI: 10.1016/J.Calphad.2008.05.003  0.402
2008 Shin D, Liu Z. Enthalpy of mixing for ternary fcc solid solutions from special quasirandom structures Calphad. 32: 74-81. DOI: 10.1016/J.Calphad.2007.09.002  0.34
2008 Wang T, Sheng G, Liu Z, Chen L. Coarsening kinetics of γ′ precipitates in the Ni–Al–Mo system Acta Materialia. 56: 5544-5551. DOI: 10.1016/J.Actamat.2008.07.024  0.375
2008 Shang SL, Zhang H, Ganeshan S, Liu ZK. The development and application of a thermodynamic database for magnesium alloys Jom. 60: 45-47. DOI: 10.1007/S11837-008-0165-1  0.415
2008 Zhang S, Liu Z, Han Q. Thermodynamic Modeling of the Succinonitrile-Water System Journal of Phase Equilibria and Diffusion. 29: 247-251. DOI: 10.1007/S11669-008-9283-2  0.415
2008 Hui X, Liu X, Gao R, Hou H, Fang H, Liu Z, Chen G. Atomic structures of Zr-based metallic glasses Science in China Series G: Physics, Mechanics and Astronomy. 51: 400-413. DOI: 10.1007/S11433-008-0052-3  0.323
2007 Shin D, Van De Walle A, Wang Y, Liu ZK. First-principles study of ternary fcc solution phases from special quasirandom structures Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.144204  0.366
2007 Shin D, Arróyave R, Liu Z, Van de Walle A. Erratum: Thermodynamic properties of binary hcp solution phases from special quasirandom structures [Phys. Rev. B74, 024204 (2006)] Physical Review B. 76. DOI: 10.1103/Physrevb.76.069901  0.349
2007 Zhang S, Han Q, Liu Z. Fundamental understanding of Na-induced high temperature embrittlement in Al–Mg alloys Philosophical Magazine. 87: 147-157. DOI: 10.1080/14786430600941587  0.385
2007 Saal JE, Shang S, Liu ZK. The structural evolution of boron carbide via ab initio calculations Applied Physics Letters. 91. DOI: 10.1063/1.2818661  0.348
2007 Lee S, Liu Z, Kim M, Randall CA. Influence of nonstoichiometry on ferroelectric phase transition in BaTiO3 Journal of Applied Physics. 101: 054119. DOI: 10.1063/1.2710280  0.327
2007 Ge L, Hui X, Chen G, Liu Z. Prediction of the Glass-Forming Ability of Cu-Zr Binary Alloys Acta Physico-Chimica Sinica. 23: 895-899. DOI: 10.1016/S1872-1508(07)60050-3  0.377
2007 Shin D, Liu Z. Phase stability of hafnium oxide and zirconium oxide on silicon substrate Scripta Materialia. 57: 201-204. DOI: 10.1016/J.Scriptamat.2007.04.011  0.349
2007 Turchi PEA, Kaufman L, Zhou S, Liu Z. Thermostatics and kinetics of transformations in Pu-based alloys Journal of Alloys and Compounds. 444: 28-35. DOI: 10.1016/J.Jallcom.2006.10.046  0.379
2007 Shang S, Liu Z, Liu Z. Thermodynamic modeling of the Ba–Ni–Ti system Journal of Alloys and Compounds. 430: 188-193. DOI: 10.1016/J.Jallcom.2006.03.096  0.404
2007 Zhang H, Saal J, Saengdeejing A, Wang Y, Chen LQ, Liu ZK. Enthalpies of formation of magnesium compounds from first-principles calculations Magnesium Technology. 345-350. DOI: 10.1016/J.Intermet.2009.03.017  0.36
2007 Turchi PEA, Kaufman L, Liu Z. Modeling of Ni-Cr-Mo based alloys: Part II -Kinetics Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 31: 237-248. DOI: 10.1016/J.Calphad.2006.12.006  0.399
2007 Shang S, Wang T, Liu Z. Thermodynamic modelling of the B–Ca, B–Sr and B–Ba systems Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 31: 286-291. DOI: 10.1016/J.Calphad.2006.11.005  0.375
2007 Costa e Silva A, Ågren J, Clavaguera-Mora MT, Djurovic D, Gomez-Acebo T, Lee BJ, Liu ZK, Miodownik P, Seifert HJ. Applications of computational thermodynamics - the extension from phase equilibrium to phase transformations and other properties Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 31: 53-74. DOI: 10.1016/J.Calphad.2006.02.006  0.361
2007 Prins S, Arroyave R, Liu Z. Defect structures and ternary lattice site preference of the B2 phase in the Al–Ni–Ru system Acta Materialia. 55: 4781-4787. DOI: 10.1016/J.Actamat.2007.04.048  0.393
2007 Wang T, Chen L, Liu Z. Lattice Parameters and Local Lattice Distortions in fcc-Ni Solutions Metallurgical and Materials Transactions A. 38: 562-569. DOI: 10.1007/S11661-007-9091-Z  0.34
2007 Zhang S, Han Q, Liu Z. Thermodynamic Investigation of Alkali‐Metal‐Induced High Temperature Embrittlement in Al‐Li Alloys Advanced Engineering Materials. 9: 981-986. DOI: 10.1002/Adem.200700183  0.39
2006 Zhong Y, Liu J, Witt RA, Sohn Yh, Liu ZK. Al2(Mg,Ca) phases in Mg-Al-Ca ternary system: First-principles prediction and experimental identification Scripta Materialia. 55: 573-576. DOI: 10.1016/J.Scriptamat.2006.03.068  0.336
2006 Wang T, Chen L, Liu Z. First-principles calculations and phenomenological modeling of lattice misfit in Ni-base superalloys Materials Science and Engineering: A. 431: 196-200. DOI: 10.1016/J.Msea.2006.05.152  0.426
2006 Zhang S, Brubaker C, Jiang C, Yang M, Zhong Y, Han Q, Liu Z. A combined first-principles calculation and thermodynamic modeling of the F–K–Na system Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing. 418: 161-171. DOI: 10.1016/J.Msea.2005.11.037  0.433
2006 Zinkevich M, Geupel S, Aldinger F, Durygin A, Saxena SK, Yang M, Liu ZK. Phase diagram and thermodynamics of the La2O3-Ga2O3 system revisited Journal of Physics and Chemistry of Solids. 67: 1901-1907. DOI: 10.1016/J.Jpcs.2006.03.012  0.405
2006 Zhong Y, Ozturk K, Sofo JO, Liu ZK. Contribution of first-principles energetics to the Ca-Mg thermodynamic modeling Journal of Alloys and Compounds. 420: 98-106. DOI: 10.1016/J.Jallcom.2005.10.033  0.324
2006 Zhang S, Han Q, Liu Z. Thermodynamic modeling of the Al–Mg–Na system Journal of Alloys and Compounds. 419: 91-97. DOI: 10.1016/J.Jallcom.2005.10.002  0.399
2006 Zhong Y, Sofo JO, Luo AA, Liu ZK. Thermodynamics modeling of the Mg-Sr and Ca-Mg-Sr systems Journal of Alloys and Compounds. 421: 172-178. DOI: 10.1016/J.Jallcom.2005.09.076  0.335
2006 Golumbfskie W, Liu Z. CALPHAD/first-principles re-modeling of the Co–Y binary system Journal of Alloys and Compounds. 407: 193-200. DOI: 10.1016/J.Jallcom.2005.06.037  0.401
2006 Emelianenko M, Liu ZK, Du Q. A new algorithm for the automation of phase diagram calculation Computational Materials Science. 35: 61-74. DOI: 10.1016/J.Commatsci.2005.03.004  0.35
2006 Shin D, Arróyave R, Liu Z. Thermodynamic modeling of the Hf–Si–O system Calphad. 30: 375-386. DOI: 10.1016/J.Calphad.2006.08.006  0.346
2005 Zhou S, Arroyave R, Randall CA, Liu Z. Thermodynamic Modeling of the Binary Barium-Oxygen System Journal of the American Ceramic Society. 88: 1943-1948. DOI: 10.1111/J.1551-2916.2005.00368.X  0.409
2005 Turchi PEA, Drchal V, Kudrnovský J, Colinet C, Kaufman L, Liu Z. Application ofab initioand CALPHAD thermodynamics to Mo-Ta-W alloys Physical Review B. 71. DOI: 10.1103/Physrevb.71.094206  0.428
2005 Zhong Y, Yang M, Liu Z. Contribution of first-principles energetics to Al–Mg thermodynamic modeling Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 29: 303-311. DOI: 10.1016/J.Calphad.2005.08.004  0.413
2005 Jiang C, Chen L, Liu Z. First-principles study of constitutional point defects in B2 NiAl using special quasirandom structures Acta Materialia. 53: 2643-2652. DOI: 10.1016/J.Actamat.2005.02.026  0.39
2005 Liu ZK, Chen LQ, Raghavan P, Du Q, Sofo JO, Langer SA, Wolverton C. An integrated framework for multi-scale materials simulation and design Journal of Computer-Aided Materials Design. 11: 183-199. DOI: 10.1007/S10820-005-3173-2  0.343
2004 Zhou SH, Wang Y, Zhu JZ, Wang T, Chen LQ, MacKay RA, Liu Z. Computational Tools For Designing Ni-Base Superalloys Superalloys. 969-975. DOI: 10.7449/2004/Superalloys_2004_969_975  0.395
2004 Prins S, Arroyave R, Jiang C, Liu Z. B2 Phases and their Defect Structures: Part I. Ab Initio Enthalpy of Formation and Enthalpy of Mixing in the Al-Ni-Pt-Ru System Mrs Proceedings. 842. DOI: 10.1557/Proc-842-S5.14  0.362
2004 Arroyave R, Prins S, Liu Z. B2 Phases and their Defect Structures: Part I.I. Ab initio Vibrational and Electronic Free Energy in the Al-Ni-Pt-Ru System Mrs Proceedings. 842. DOI: 10.1557/Proc-842-S5.13  0.383
2004 Jacobson NS, Liu Z, Kaufman L, Zhang F. Thermodynamic Modeling of the YO1.5–ZrO2 System Journal of the American Ceramic Society. 87: 1559-1566. DOI: 10.1111/J.1551-2916.2004.01559.X  0.329
2004 Liu Z. Thermodynamic calculations of carbonitrides in microalloyed steels Scripta Materialia. 50: 601-606. DOI: 10.1016/J.Scriptamat.2003.11.032  0.399
2004 Brubaker CO, Liu Z. A computational thermodynamic model of the Ca–Mg–Zn system Journal of Alloys and Compounds. 370: 114-122. DOI: 10.1016/J.Jallcom.2003.08.097  0.373
2004 Wang T, Zhu J, Chen L, Liu Z, Mackay RA. Modeling of lattice parameter in the Ni-Al system Metallurgical and Materials Transactions A. 35: 2313-2321. DOI: 10.1007/S11661-006-0211-Y  0.395
2003 Zhong Y, Ozturk K, Liu ZK. Thermodynamic modeling of the Ca-Sr-Zn ternary system Journal of Phase Equilibria. 24: 340-346. DOI: 10.1361/105497103770330325  0.321
2003 Liu Z. Thermodynamic Modeling of Organic Carbonates for Lithium Batteries Journal of the Electrochemical Society. 150. DOI: 10.1149/1.1553786  0.316
2003 Jiang C, Liu Z. Computational investigation of constitutional liquation in Al–Cu alloys Acta Materialia. 51: 4447-4459. DOI: 10.1016/S1359-6454(03)00280-5  0.366
2003 Zhang S, Shin D, Liu Z. Thermodynamic modeling of the Ca–Li–Na system Calphad. 27: 235-241. DOI: 10.1016/J.Calphad.2003.09.001  0.386
2003 Ozturk K, Zhong Y, Liu Z, Luo AA. Creep resistant Mg-Al-Ca alloys: Computational thermodynamics and experimental investigation Jom. 55: 40-44. DOI: 10.1007/S11837-003-0208-6  0.346
2002 Turchi PEA, Kaufman L, Liu Z. Stability and Aging of Candidate Alloys for the Yucca Mountain Project: CALPHAD Results Mrs Proceedings. 757. DOI: 10.1557/Proc-757-Ii4.3  0.382
2002 Xi XX, Zeng XH, Soukiassian A, Jones J, Hotchkiss J, Zhong Y, Brubaker CO, Liu Z, Lettieri J, Schlom DG, Hu YF, Wertz E, Li Q, Tian W, Sun HP, et al. Thermodynamics and thin film deposition of MgB2 superconductors Superconductor Science and Technology. 15: 451-457. DOI: 10.1088/0953-2048/15/3/333  0.314
2002 Ozturk K, Chen LQ, Liu ZK. Thermodynamic assessment of the Al-Ca binary system using random solution and associate models Journal of Alloys and Compounds. 340: 199-206. DOI: 10.1016/S0925-8388(01)01713-3  0.332
2002 Zhou SH, Liu Z. Evaluation of the thermodynamic properties and phase equilibria of the Re-Ta-W system Metallurgical and Materials Transactions a-Physical Metallurgy and Materials Science. 33: 2781-2787. DOI: 10.1007/S11661-002-0263-6  0.394
2001 Liu Z, Schlom DG, Li Q, Xi XX. Thermodynamics of the Mg–B system: Implications for the deposition of MgB2 thin films Applied Physics Letters. 78: 3678-3680. DOI: 10.1063/1.1376145  0.348
2001 Kaufman L, Turchi PEA, Huang W, Liu Z. Thermodynamics of the Cr-Ta-W system by combining the Ab Initio and CALPHAD methods Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 25: 419-433. DOI: 10.1016/S0364-5916(01)00061-X  0.411
2001 Brubaker CO, Liu Z. A computational thermodynamic assessment of the Ca-Zn system Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 25: 381-390. DOI: 10.1016/S0364-5916(01)00057-8  0.376
2001 Liu Z, Zhong Y, Schlom DG, Xi XX, Li Q. Computational thermodynamic modeling of the Mg-B system Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 25: 299-303. DOI: 10.1016/S0364-5916(01)00050-5  0.358
2000 Liu Z, Chang YA. Evaluation of the thermodynamic properties of the Re–Ta and Re–W systems Journal of Alloys and Compounds. 299: 153-162. DOI: 10.1016/S0925-8388(99)00597-6  0.374
1999 Liu Z, Chang YA. Thermodynamic assessment of the Co-Ta system Calphad-Computer Coupling of Phase Diagrams and Thermochemistry. 23: 339-356. DOI: 10.1016/S0364-5916(00)00005-5  0.393
1999 Liu Z, Chang YA. Thermodynamic assessment of the Al-Fe-Si system Metallurgical and Materials Transactions a-Physical Metallurgy and Materials Science. 30: 1081-1095. DOI: 10.1007/S11661-999-0160-3  0.395
1998 Liu Z, Ågren J, Suehiro M. Thermodynamics of interfacial segregation in solute drag Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing. 247: 222-228. DOI: 10.1016/S0921-5093(97)00767-3  0.381
1997 Liu Z. The transformation phenomenon in Fe-Mo-C alloys: A solute drag approach Metallurgical and Materials Transactions a-Physical Metallurgy and Materials Science. 28: 1625-1631. DOI: 10.1007/S11661-997-0254-8  0.38
1996 Suehiro M, Liu Z, Ågren J. A mathematical model for the solute drag effect on recrystallization Metallurgical and Materials Transactions a-Physical Metallurgy and Materials Science. 29: 1029-1034. DOI: 10.1007/S11661-998-1012-2  0.313
1996 Liu Z, Fredriksson H. On the reaction between Fe-Ti and Fe-C liquids under microgravity Metallurgical and Materials Transactions a-Physical Metallurgy and Materials Science. 27: 407-414. DOI: 10.1007/Bf02648418  0.371
1995 Liu Z, Zhang W, Sundman B. Thermodynamic assessment of the CoFeGd systems Journal of Alloys and Compounds. 226: 33-45. DOI: 10.1016/0925-8388(95)01578-7  0.352
1994 Liu Z, Pile D, Andersson J, Brorson A. Solidification and microstructure of a high alloy stainless steel Metallurgical and Materials Transactions A. 25: 1550-1553. DOI: 10.1007/Bf02665488  0.33
1993 Hallstedt B, Liu Z, Ågren J. Reactions in Al2O3Mg metal matrix composites during prolonged heat treatment at 400, 550 and 600°C Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing. 169: 149-157. DOI: 10.1016/0921-5093(93)90609-I  0.317
1992 Liu Z, Ågren J. Erratum to: Two-Phase Coherent Equilibrium in Multicomponent Alloys Journal of Phase Equilibria. 13: 4-4. DOI: 10.1007/Bf02645367  0.385
1991 Liu Z, Ågren J, Melander A. Uniaxial tension and microstructure of a short alumina fibre-reinforced Al2Mg alloy Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing. 135: 125-127. DOI: 10.1016/0921-5093(91)90548-2  0.332
1991 Liu Z, Ågren J. Two-Phase Coherent Equilibrium in Multicomponent Alloys Journal of Phase Equilibria. 12: 266-274. DOI: 10.1007/Bf02649915  0.371
1991 Liu Z, ågren J. Morphology of cementite decomposition in an fe-cr-c alloy Metallurgical and Materials Transactions a-Physical Metallurgy and Materials Science. 22: 1753-1759. DOI: 10.1007/Bf02646499  0.331
1991 Liu Z, Höglund L, Jönsson B, ågren J. An experimental and theoretical study of cementite dissolution in an Fe-Cr-C alloy Metallurgical and Materials Transactions a-Physical Metallurgy and Materials Science. 22: 1745-1752. DOI: 10.1007/Bf02646498  0.348
1990 Liu Z, Ågren J. On two-phase coherent equilibrium in binary alloys Acta Metallurgica Et Materialia. 38: 561-572. DOI: 10.1016/0956-7151(90)90210-8  0.394
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