TY - JOUR
T1 - Data set for diffusion coefficients and relative creep rate ratios of 26 dilute Ni-X alloy systems from first-principles calculations
AU - Hargather, Chelsey Z.
AU - Shang, Shun Li
AU - Liu, Zi Kui
N1 - Funding Information:
This work was funded partially by the Office of Naval Research (ONR) under contract no. N0014-07-1-0638 and no. N00014-17-1-2567 and partially by the National Natural Science Foundation of China with Grant No. 51429101 . First-principles calculations were carried out partially on the LION clusters supported by the Materials Simulation Center and the Research Computing and Cyber infrastructure unit at the Pennsylvania State University, partially on the resources of NERSC supported by the Office of Science of the U.S. DOE under Contract No. DE-AC02-05CH11231 , and partially on the resources of XSEDE supported by National Science Foundation with Grant ACI-1053575 . 51429101 .
Publisher Copyright:
© 2018 The Authors
PY - 2018/10
Y1 - 2018/10
N2 - The development of future generations of Ni-base superalloys will depend on a systematic understanding of how each alloying element affects the fundamental properties of Ni-base superalloys, particularly with respect to their creep behavior. First, this article presents the temperature-dependent data of all factors entering into dilute impurity diffusion for 26 Ni-X alloy systems, including atomic jump frequencies, thermodynamic parameters, and diffusivity plots. Second, this article presents the data used to calculate the relative creep rate ratios showing the effect of each of the 26 alloying elements, X, on the dilute Ni-X alloy. The dataset refers to “A comprehensive first-principles study of solute elements in dilute Ni alloys: Diffusion coefficients and their implications to tailor creep rate” by Hargather et al. [1].
AB - The development of future generations of Ni-base superalloys will depend on a systematic understanding of how each alloying element affects the fundamental properties of Ni-base superalloys, particularly with respect to their creep behavior. First, this article presents the temperature-dependent data of all factors entering into dilute impurity diffusion for 26 Ni-X alloy systems, including atomic jump frequencies, thermodynamic parameters, and diffusivity plots. Second, this article presents the data used to calculate the relative creep rate ratios showing the effect of each of the 26 alloying elements, X, on the dilute Ni-X alloy. The dataset refers to “A comprehensive first-principles study of solute elements in dilute Ni alloys: Diffusion coefficients and their implications to tailor creep rate” by Hargather et al. [1].
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U2 - 10.1016/j.dib.2018.08.144
DO - 10.1016/j.dib.2018.08.144
M3 - Article
C2 - 30258957
AN - SCOPUS:85053724641
SN - 2352-3409
VL - 20
SP - 1537
EP - 1551
JO - Data in Brief
JF - Data in Brief
ER -