| Effects of alloying element and temperature on the stacking fault energies of dilute Ni-base superalloys SL Shang, CL Zacherl, HZ Fang, Y Wang, Y Du, ZK Liu Journal of Physics: Condensed Matter 24 (50), 505403, 2012 | 169 | 2012 |
| Hybrid Functionals Study of Band Bowing, Band Edges and Electronic Structures of Cd1–xZnxS Solid Solution JC Wu, J Zheng, CL Zacherl, P Wu, ZK Liu, R Xu The Journal of Physical Chemistry C 115 (40), 19741-19748, 2011 | 100 | 2011 |
| Effects of alloying elements and temperature on the elastic properties of dilute Ni-base superalloys from first-principles calculations SL Shang, DE Kim, CL Zacherl, Y Wang, Y Du, ZK Liu Journal of Applied Physics 112 (5), 2012 | 85 | 2012 |
| Structural, vibrational, and thermodynamic properties of ordered and disordered NiPt alloys from first-principles calculations SL Shang, Y Wang, DE Kim, CL Zacherl, Y Du, ZK Liu Physical Review B 83 (14), 144204, 2011 | 63 | 2011 |
| First-principles lattice dynamics, thermodynamics, and elasticity of Cr2O3 Y Wang, H Fang, CL Zacherl, Z Mei, S Shang, LQ Chen, PD Jablonski, ... Surface Science 606 (17-18), 1422-1425, 2012 | 60 | 2012 |
| A comprehensive first-principles study of solute elements in dilute Ni alloys: Diffusion coefficients and their implications to tailor creep rate CZ Hargather, SL Shang, ZK Liu Acta Materialia 157, 126-141, 2018 | 59 | 2018 |
| A first-principles study of self-diffusion coefficients of fcc Ni CZ Hargather, SL Shang, ZK Liu, Y Du Computational materials science 86, 17-23, 2014 | 57 | 2014 |
| Phonon dispersions in random alloys: a method based on special quasi-random structure force constants Y Wang, CL Zacherl, S Shang, LQ Chen, ZK Liu Journal of Physics: Condensed Matter 23 (48), 485403, 2011 | 39 | 2011 |
| Data set for diffusion coefficients and relative creep rate ratios of 26 dilute Ni-X alloy systems from first-principles calculations CZ Hargather, SL Shang, ZK Liu Data in brief 20, 1537-1551, 2018 | 29 | 2018 |
| A computational investigation of the effect of alloying elements on the thermodynamic and diffusion properties of fcc nickel alloys, with application to the creep rate of … CL Zacherl The Pennsylvania State University, 2012 | 29* | 2012 |
| First-principles calculations and thermodynamic re-modeling of the Hf–W system AC Lieser, CL Zacherl, A Saengdeejing, ZK Liu, LJ Kecskes Calphad 38, 92-99, 2012 | 26 | 2012 |
| First-principles aided thermodynamic modeling of the Nb–Re system XL Liu, CZ Hargather, ZK Liu Calphad 41, 119-127, 2013 | 21 | 2013 |
| Effects of alloying elements on elastic, stacking fault, and diffusion properties of fcc ni from first-principles: implications for tailoring the creep rate of Ni-Base superalloys CL Zacherl, SL Shang, DE Kim, Y Wang, ZK Liu Superalloys 2012, 455-461, 2012 | 20 | 2012 |
| First-principles calculations and thermodynamic modeling of the Re–Y system with extension to the Ni–Re–Y system C Zacherl, J Saal, Y Wang, ZK Liu Intermetallics 18 (12), 2412-2418, 2010 | 16 | 2010 |
| Phase stability and thermodynamic modeling of the Re–Ti system supplemented by first-principles calculations CL Zacherl, SL Shang, A Saengdeejing, ZK Liu Calphad 38, 71-80, 2012 | 15 | 2012 |
| Stacking fault energies on {112} planes of an AlNbTaTiV BCC high-entropy alloy from first-principles calculations, analyzed with inferential statistics JD Strother, CZ Hargather Materialia 14, 100927, 2020 | 6 | 2020 |
| Statistical data set for first-principles calculations of stacking fault energies in an AlNbTaTiV high entropy alloy JD Strother, CZ Hargather Data in Brief 34, 106670, 2021 | 5 | 2021 |
| Re-design of an inter-disciplinary first-year introduction to engineering course focusing on active learning and technology in the classroom CZ Hargather 6th Annual First Year Engineering Experience Conference, 2014 | 4 | 2014 |
| Efficient First-Principles Methodologies for Calculating Stacking Fault Energy in FCC and BCC High-Entropy Alloys CZ Hargather High-Entropy Materials: Theory, Experiments, and Applications, 315-354, 2021 | 3 | 2021 |
| A first-principles study of self-diffusion and dilute solute diffusion of Au in FCC Ag KN Mackowski, CZ Hargather Computational Materials Science 193, 110414, 2021 | 2 | 2021 |
