Effect of alloying elements on dislocation in NiAl: A first-principles study

2013 ◽  
Vol 417 ◽  
pp. 9-12 ◽  
Author(s):  
Bai Lin Lü ◽  
Guo Qing Chen ◽  
Shen Qu ◽  
Hui Su ◽  
Wen Long Zhou
Keyword(s):  
First Principles ◽  
Alloying Elements ◽  
First Principles Study ◽  
Effect Of Alloying

Effect of alloying elements on the ideal strength and charge redistribution of γ′-Ni3Al: a first-principles study of tensile deformation

RSC Advances ◽  
2016 ◽  
Vol 6 (81) ◽  
pp. 77489-77498 ◽  
Author(s):  
Minru Wen ◽  
Chong-Yu Wang
Keyword(s):  
Dft Calculations ◽  
First Principles ◽  
Tensile Deformation ◽  
Alloying Elements ◽  
Ideal Strength ◽  
Charge Redistribution ◽  
First Principles Study ◽  
The Ideal ◽  
Effect Of Alloying

The effect of the alloying elements on the σIT of γ′-Ni3Al along three characteristic directions was investigated using DFT calculations.

Effect of Alloying Elements on the Elastic Properties of γ-Ni and γ'-Ni3Al from First-principles Calculations

2009 ◽  
Vol 1224 ◽  
Author(s):  
Yunjiang Wang ◽  
Chongyu Wang
Keyword(s):  
Elastic Properties ◽  
First Principles ◽  
Electronic Structures ◽  
Elastic Moduli ◽  
Lattice Misfit ◽  
Alloying Elements ◽  
First Principles Calculations ◽  
Strengthening Mechanisms ◽  
Two Phases ◽  
Effect Of Alloying

AbstractThe effect of alloying elements Ta, Mo, W, Cr, Re, Ru, Co, and Ir on the elastic properties of both γ-Ni and γ′-Ni3Al is studied by first-principles method. Results for lattice properties, elastic moduli and the ductile/brittle behaviors are all presented. Our calculated values agree well with the existing experimental observations. Results show all the additions decrease the lattice misfit between and γ′ phases. Different alloying elements are found to have different effect on the elastic moduli of γ-Ni. Whereas all the alloying elements slightly increase the moduli of γ′-Ni3Al expect Co. Both of the two phases are becoming more brittle with alloying elements, but Co is excepted. The electronic structures of γ′ phase alloyed with different elements are provided as example to elucidate the different strengthening mechanisms.

First-principles study of Ni/Ni3Al interface strengthening by alloying elements

2009 ◽  
Vol 47 (2) ◽  
pp. 320-325 ◽  
Author(s):  
Xiu-Fang Gong ◽  
Gong Xian Yang ◽  
You Heng Fu ◽  
Yi Qun Xie ◽  
Jun Zhuang ◽  
...  
Keyword(s):  
First Principles ◽  
Alloying Elements ◽  
First Principles Study

Strengthening effects of alloying elements W and Re on Ni3Al: A first-principles study

2018 ◽  
Vol 144 ◽  
pp. 23-31 ◽  
Author(s):  
Wei Gong ◽  
Wenyue Zhao ◽  
Naihua Miao ◽  
Jian Zhou ◽  
Zhimei Sun ◽  
...  
Keyword(s):  
First Principles ◽  
Alloying Elements ◽  
First Principles Study

Effect of alloying elements on stacking fault energies of γ and γʹ phases in Ni-based superalloy calculated by first principles

Vacuum ◽  
2020 ◽  
Vol 181 ◽  
pp. 109682 ◽  
Author(s):  
Wenchao Yang ◽  
Pengfei Qu ◽  
Jiachen Sun ◽  
Quanzhao Yue ◽  
Haijun Su ◽  
...  
Keyword(s):  
First Principles ◽  
Stacking Fault ◽  
Alloying Elements ◽  
Stacking Fault Energies ◽  
Effect Of Alloying
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