| Efficient stochastic generation of special quasirandom structures A Van de Walle, P Tiwary, M De Jong, DL Olmsted, M Asta, A Dick, D Shin, ... Calphad 42, 13-18, 2013 | 1262 | 2013 |
| Functionally graded material of 304L stainless steel and inconel 625 fabricated by directed energy deposition: Characterization and thermodynamic modeling BE Carroll, RA Otis, JP Borgonia, J Suh, RP Dillon, AA Shapiro, ... Acta Materialia 108, 46-54, 2016 | 612 | 2016 |
| Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations Y Wang, ZK Liu, LQ Chen Acta Materialia 52 (9), 2665-2671, 2004 | 576 | 2004 |
| Effect of substrate constraint on the stability and evolution of ferroelectric domain structures in thin films YL Li, SY Hu, ZK Liu, LQ Chen Acta materialia 50 (2), 395-411, 2002 | 575 | 2002 |
| In situ epitaxial MgB2 thin films for superconducting electronics X Zeng, AV Pogrebnyakov, A Kotcharov, JE Jones, XX Xi, EM Lysczek, ... Nature materials 1 (1), 35-38, 2002 | 455 | 2002 |
| Ab initio lattice stability in comparison with CALPHAD lattice stability Y Wang, S Curtarolo, C Jiang, R Arroyave, T Wang, G Ceder, LQ Chen, ... Calphad 28 (1), 79-90, 2004 | 446 | 2004 |
| Optical band gap of BiFeO3 grown by molecular-beam epitaxy JF Ihlefeld, NJ Podraza, ZK Liu, RC Rai, X Xu, T Heeg, YB Chen, J Li, ... Applied Physics Letters 92 (14), 2008 | 445 | 2008 |
| First-principles thermodynamics from phonon and Debye model: Application to Ni and Ni3Al SL Shang, Y Wang, DE Kim, ZK Liu Computational Materials Science 47 (4), 1040-1048, 2010 | 431 | 2010 |
| First-principles calculations and CALPHAD modeling of thermodynamics ZK Liu Journal of phase equilibria and diffusion 30, 517-534, 2009 | 420 | 2009 |
| Additive manufacturing of a functionally graded material from Ti-6Al-4V to Invar: Experimental characterization and thermodynamic calculations LD Bobbio, RA Otis, JP Borgonia, RP Dillon, AA Shapiro, ZK Liu, ... Acta Materialia 127, 133-142, 2017 | 407 | 2017 |
| Phase-field model of domain structures in ferroelectric thin films YL Li, SY Hu, ZK Liu, LQ Chen Applied Physics Letters 78 (24), 3878-3880, 2001 | 391 | 2001 |
| First-principles study of binary bcc alloys using special quasirandom structures C Jiang, C Wolverton, J Sofo, LQ Chen, ZK Liu Physical Review B—Condensed Matter and Materials Physics 69 (21), 214202, 2004 | 345 | 2004 |
| Developing gradient metal alloys through radial deposition additive manufacturing DC Hofmann, S Roberts, R Otis, J Kolodziejska, RP Dillon, J Suh, ... Scientific reports 4 (1), 5357, 2014 | 340 | 2014 |
| Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows K Mathew, JH Montoya, A Faghaninia, S Dwarakanath, M Aykol, H Tang, ... Computational Materials Science 139, 140-152, 2017 | 330 | 2017 |
| First-principles calculations of pure elements: Equations of state and elastic stiffness constants SL Shang, A Saengdeejing, ZG Mei, DE Kim, H Zhang, S Ganeshan, ... Computational Materials Science 48 (4), 813-826, 2010 | 325 | 2010 |
| Thermodynamics of the Mg–B system: implications for the deposition of MgB2 thin films ZK Liu, DG Schlom, Q Li, XX Xi Applied Physics Letters 78 (23), 3678-3680, 2001 | 324 | 2001 |
| First-principles elastic constants of α-and θ-Al2O3 S Shang, Y Wang, ZK Liu Applied Physics Letters 90 (10), 2007 | 315 | 2007 |
| A mixed-space approach to first-principles calculations of phonon frequencies for polar materials Y Wang, JJ Wang, WY Wang, ZG Mei, SL Shang, LQ Chen, ZK Liu Journal of Physics: Condensed Matter 22 (20), 202201, 2010 | 308 | 2010 |
| First-principles calculation of self-diffusion coefficients M Mantina, Y Wang, R Arroyave, LQ Chen, ZK Liu, C Wolverton Physical review letters 100 (21), 215901, 2008 | 304 | 2008 |
| First principles impurity diffusion coefficients M Mantina, Y Wang, LQ Chen, ZK Liu, C Wolverton Acta Materialia 57 (14), 4102-4108, 2009 | 291 | 2009 |
Shun-Li Shang (商顺利)Research Professor, The Pennsylvania State UniversityVerified email at psu.edu
