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Yi Wang, Ph.D. - Publications

Affiliations: 
2017-2018 Psychology Pennsylvania State University, State College, PA, United States 
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25 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
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  0.332
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  0.315
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  0.309
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  0.315
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  0.322
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  0.315
2018 Wang WY, Xue F, Zhang Y, Shang S, Wang Y, Darling KA, Kecskes LJ, Li J, Hui X, Feng Q, Liu Z. Atomic and electronic basis for solutes strengthened (010) anti-phase boundary of L12 Co3(Al, TM): A comprehensive first-principles study Acta Materialia. 145: 30-40. DOI: 10.1016/J.Actamat.2017.10.041  0.311
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  0.309
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  0.3
2017 Yao Q, Shang S, Wang K, Liu F, Wang Y, Wang Q, Lu T, Liu Z. Phase stability, elastic, and thermodynamic properties of the L12 (Co,Ni)3(Al,Mo,Nb) phase from first-principles calculations Journal of Materials Research. 32: 2100-2108. DOI: 10.1557/Jmr.2017.8  0.302
2017 Hu Y, Wang Y, Firdosy SA, Star KE, Fleurial J, Ravi VA, Liu Z. First-principles calculations and thermodynamic modeling of the Yb-Ni binary system Calphad. 59: 207-217. DOI: 10.1016/J.Calphad.2017.09.004  0.335
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  0.315
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  0.306
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  0.32
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  0.305
2014 Zhou S, Wang Y, Chen L, Liu Z, Napolitano R. Solution-based thermodynamic modeling of the Ni–Al–Mo system using first-principles calculations Calphad. 46: 124-133. DOI: 10.1016/J.Calphad.2014.03.002  0.33
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  0.302
2012 Shang SL, Zacherl CL, Fang HZ, Wang Y, Du Y, Liu ZK. Effects of alloying element and temperature on the stacking fault energies of dilute Ni-base superalloys. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 505403. PMID 23172684 DOI: 10.1088/0953-8984/24/50/505403  0.303
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  0.316
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  0.306
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  0.314
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  0.312
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  0.302
2010 Zhang H, Wang Y, Shang SL, Ravi C, Wolverton C, Chen LQ, Liu ZK. Solvus boundaries of (meta)stable phases in the Al-Mg-Si system: First-principles phonon calculations and thermodynamic modeling Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 34: 20-25. DOI: 10.1016/J.Calphad.2009.10.009  0.302
2009 Shang SL, Hector LG, Wang Y, Zhang H, Liu ZK. First-principles study of elastic and phonon properties of the heavy fermion compound CeMg Journal of Physics Condensed Matter. 21. DOI: 10.1088/0953-8984/21/24/246001  0.306
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