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基于第一性原理计算的26种稀镍-X合金体系的扩散系数和相对蠕变速率比数据集。

Data set for diffusion coefficients and relative creep rate ratios of 26 dilute Ni-X alloy systems from first-principles calculations.

作者信息

Hargather Chelsey Z, Shang Shun-Li, Liu Zi-Kui

机构信息

Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA 16802, USA.

Department of Materials Engineering, New Mexico Institute of Mining and Technology, 801 Leroy Place, Socorro, NM 87801, USA.

出版信息

Data Brief. 2018 Aug 31;20:1537-1551. doi: 10.1016/j.dib.2018.08.144. eCollection 2018 Oct.

DOI:10.1016/j.dib.2018.08.144
PMID:30258957
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6153149/
Abstract

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].

摘要

下一代镍基高温合金的发展将取决于对每种合金元素如何影响镍基高温合金基本性能的系统理解,特别是在其蠕变行为方面。首先,本文给出了26种Ni-X合金体系中所有参与稀杂质扩散的因素的温度相关数据,包括原子跳跃频率、热力学参数和扩散率图。其次,本文给出了用于计算相对蠕变速率比的数据,该数据显示了26种合金元素X中的每一种对稀Ni-X合金的影响。该数据集参考了Hargather等人[1]发表的《稀镍合金中溶质元素的综合第一性原理研究:扩散系数及其对调整蠕变速率的影响》。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/07fc7465ebd9/gr15.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/02709b3b7f8c/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/b5734aaf3660/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/4cad9f92cf02/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/38b4f2b2ede5/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/a779d4a71a64/gr5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/346a0484b02e/gr6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/81923745d665/gr7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/25525453c1d4/gr8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/84965295566e/gr9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/82e1a21fc0c7/gr10.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/613aea22f70f/gr11.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/f58209196c27/gr12.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/04e983660f84/gr13.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/8237f00059d0/gr14.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/07fc7465ebd9/gr15.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/02709b3b7f8c/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/b5734aaf3660/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/4cad9f92cf02/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/38b4f2b2ede5/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/a779d4a71a64/gr5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/346a0484b02e/gr6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/81923745d665/gr7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/25525453c1d4/gr8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/84965295566e/gr9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/82e1a21fc0c7/gr10.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/613aea22f70f/gr11.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/f58209196c27/gr12.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/04e983660f84/gr13.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/8237f00059d0/gr14.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a5/6153149/07fc7465ebd9/gr15.jpg

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本文引用的文献

1
Effects of alloying element and temperature on the stacking fault energies of dilute Ni-base superalloys.合金元素和温度对稀镍基高温合金堆垛层错能的影响。
J Phys Condens Matter. 2012 Dec 19;24(50):505403. doi: 10.1088/0953-8984/24/50/505403. Epub 2012 Nov 21.
2
Improved tetrahedron method for Brillouin-zone integrations.用于布里渊区积分的改进四面体方法。
Phys Rev B Condens Matter. 1994 Jun 15;49(23):16223-16233. doi: 10.1103/physrevb.49.16223.
3
High-precision sampling for Brillouin-zone integration in metals.金属中布里渊区积分的高精度采样。
Phys Rev B Condens Matter. 1989 Aug 15;40(6):3616-3621. doi: 10.1103/physrevb.40.3616.
4
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.使用平面波基组进行从头算总能量计算的高效迭代方案。
Phys Rev B Condens Matter. 1996 Oct 15;54(16):11169-11186. doi: 10.1103/physrevb.54.11169.