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
204 2012 Hybrid Functionals Study of Band Bowing, Band Edges and Electronic Structures of Cd1–x Znx JC Wu, J Zheng, CL Zacherl, P Wu, ZK Liu, R Xu
The Journal of Physical Chemistry C 115 (40), 19741-19748, 2011
108 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
88 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
82 2018 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
67 2012 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
66 2014 Structural, vibrational, and thermodynamic properties of ordered and disordered Ni SL Shang, Y Wang, DE Kim, CL Zacherl, Y Du, ZK Liu
Physical Review B—Condensed Matter and Materials Physics 83 (14), 144204, 2011
65 2011 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
44 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
36 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
33 * 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 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
23 2012 First-principles aided thermodynamic modeling of the Nb–Re system XL Liu, CZ Hargather, ZK Liu
Calphad 41, 119-127, 2013
21 2013 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
17 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 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
7 2021 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
7 2020 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
5 2021 A Systematic First-Principles Study of Computational Parameters Affecting Self-diffusion Coefficients in FCC Ag, Cu, and Ni CZ Hargather, JM O’Connell
Journal of Phase Equilibria and Diffusion 43 (6), 764-779, 2022
4 2022 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