Effects of rare-earth elements on the oxidation behavior of γ-Ni in Ni-based single crystal superalloys: A first-principles study from a perspective of surface adsorption

2021 ◽  
Vol 547 ◽  
pp. 149173
Author(s):  
Mengqin Ding ◽  
Peng Hu ◽  
Yi Ru ◽  
Wenyue Zhao ◽  
Yanling Pei ◽  
...  
Keyword(s):  
Rare Earth ◽  
Rare Earth Elements ◽  
Single Crystal ◽  
First Principles ◽  
Oxidation Behavior ◽  
Surface Adsorption ◽  
First Principles Study

Diffusion coefficients of rare earth elements in fcc Fe: A first-principles study

2018 ◽  
Vol 112 ◽  
pp. 153-157 ◽  
Author(s):  
Haiyan Wang ◽  
Xueyun Gao ◽  
Huiping Ren ◽  
Shuming Chen ◽  
Zhaofeng Yao
Keyword(s):  
Rare Earth ◽  
Rare Earth Elements ◽  
First Principles ◽  
Diffusion Coefficients ◽  
First Principles Study

A first-principles study of B2 NiAl alloyed with rare earth elements Pr, Pm, Sm, and Eu

2013 ◽  
Vol 22 (2) ◽  
pp. 027102 ◽  
Author(s):  
Jun-Qi He ◽  
You Wang ◽  
Mu-Fu Yan ◽  
Zhao-Yi Pan ◽  
Li-Xin Guo
Keyword(s):  
Rare Earth ◽  
Rare Earth Elements ◽  
First Principles ◽  
First Principles Study

First principles study on hydrogen doping induced metal-to-insulator transition in rare earth nickelates RNiO3 (R = Pr, Nd, Sm, Eu, Gd, Tb, Dy, Yb)

2020 ◽  
Vol 22 (13) ◽  
pp. 6888-6895 ◽  
Author(s):  
Pilsun Yoo ◽  
Peilin Liao
Keyword(s):  
Rare Earth ◽  
Rare Earth Elements ◽  
First Principles ◽  
Electronic Structures ◽  
Insulator Transition ◽  
Chemical Doping ◽  
First Principles Study ◽  
Hydrogen Doping ◽  
Metal To Insulator Transition

We report how the geometry and electronic structures for chemical doping induced metal-to-insulator transition in RNiO3 can be tailored by different rare-earth elements.

scholarly journals Rare Earth Elements Enhanced the Oxidation Resistance of Mo-Si-Based Alloys for High Temperature Application: A Review

Coatings ◽  
2021 ◽  
Vol 11 (9) ◽  
pp. 1144
Author(s):  
Laihao Yu ◽  
Yingyi Zhang ◽  
Tao Fu ◽  
Jie Wang ◽  
Kunkun Cui ◽  
...  
Keyword(s):  
Rare Earth ◽  
High Temperature ◽  
Rare Earth Elements ◽  
Oxidation Resistance ◽  
Oxidation Behavior ◽  
Strengthening Mechanism ◽  
Advanced Materials ◽  
Performance Requirements ◽  
Large Numbers ◽  
The One

Traditional refractory materials such as nickel-based superalloys have been gradually unable to meet the performance requirements of advanced materials. The Mo-Si-based alloy, as a new type of high temperature structural material, has entered the vision of researchers due to its charming high temperature performance characteristics. However, its easy oxidation and even “pesting oxidation” at medium temperatures limit its further applications. In order to solve this problem, researchers have conducted large numbers of experiments and made breakthrough achievements. Based on these research results, the effects of rare earth elements like La, Hf, Ce and Y on the microstructure and oxidation behavior of Mo-Si-based alloys were systematically reviewed in the current work. Meanwhile, this paper also provided an analysis about the strengthening mechanism of rare earth elements on the oxidation behavior for Mo-Si-based alloys after discussing the oxidation process. It is shown that adding rare earth elements, on the one hand, can optimize the microstructure of the alloy, thus promoting the rapid formation of protective SiO2 scale. On the other hand, it can act as a diffusion barrier by producing stable rare earth oxides or additional protective films, which significantly enhances the oxidation resistance of the alloy. Furthermore, the research focus about the oxidation protection of Mo-Si-based alloys in the future was prospected to expand the application field.

scholarly journals First-Principles Study of CaB12H12 as a Potential Solid-State Conductor for Ca

2020 ◽  
Author(s):  
Julius Koettgen ◽  
Christopher Bartel ◽  
Jimmy-Xuan Shen ◽  
Kristin Persson ◽  
Gerbrand Ceder
Keyword(s):  
Rare Earth ◽  
Solid State ◽  
First Principles ◽  
Activation Barrier ◽  
Migration Path ◽  
First Principles Study ◽  
Trivalent Rare Earth

Calcium dodecahydro-closo-dodecaborate, CaB12H12, was calculated to have a percolating Ca migration path with low activation barrier (650 meV). The formation of Ca vacancies required for diffusion was calculated to be thermodynamically feasible by substitution of Ca with Al, Bi, or a number of trivalent rare-earth cations

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