WITHDRAWN: Molecular dynamics study on the effect of interstitial and substitutional alloying elements on stacking fault energies of fcc iron

2016 ◽  
Author(s):  
Mina Mohammadzadeh ◽  
Roghayeh Mohammadzadeh
Keyword(s):  
Molecular Dynamics ◽  
Stacking Fault ◽  
Alloying Elements ◽  
Stacking Fault Energies

Molecular dynamics simulation of the slip systems in VN

RSC Advances ◽  
2015 ◽  
Vol 5 (95) ◽  
pp. 77831-77838 ◽  
Author(s):  
Tao Fu ◽  
Xianghe Peng ◽  
Yinbo Zhao ◽  
Rong Sun ◽  
Deqiang Yin ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Stacking Fault ◽  
Dynamics Simulation ◽  
Slip Systems ◽  
Slip Planes ◽  
Generalized Stacking Fault ◽  
Stacking Fault Energies

We calculate the generalized stacking fault energies along different slip directions in various slip planes of VN and found that the 〈110〉 directions show the lowest maximum stacking fault energies.

scholarly journals Effects of Alloying Elements on the Stacking Fault Energies of Ni58Cr32Fe10 Alloys: A First-Principle Study

Metals ◽  
2019 ◽  
Vol 9 (11) ◽  
pp. 1163 ◽  
Author(s):  
Yuchen Dou ◽  
Hong Luo ◽  
Yong Jiang ◽  
Xiaohua Tang
Keyword(s):  
High Performance ◽  
Filler Metal ◽  
Alloy Element ◽  
Stacking Fault ◽  
Alloying Elements ◽  
Filler Materials ◽  
First Principle ◽  
Magnetic Entropy ◽  
Alloy 690 ◽  
Stacking Fault Energies

Ni58Cr32Fe10-based alloys, such as Alloy 690 and filler metal 52 (FM-52), suffer from ductility dip cracking (DDC). It is reported that decreasing the stacking fault energy (SFE) of these materials could improve the DDC resistance of Alloy 690. In this work, the effects of alloying elements on the stacking fault energies (SFEs) of Ni58Cr32Fe10 alloys were studied using first-principle calculations. In our simulations, 2 at.% of Ni is replaced by alloy element X (X=Al, Co, Cu, Hf, Mn, Nb, Ta, Ti, V, and W). At a finite temperature, the SFEs were divided into the magnetic entropy (SFEmag) and 0 K (SFE0) contributions. Potentially, the calculated results could be used in the design of high-performance Ni58Cr32Fe10-based alloys or filler materials.

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

[P8] Effects of alloying elements on the stacking fault energies of dilute Al-based alloys

Calphad ◽  
2015 ◽  
Vol 51 ◽  
pp. 373
Author(s):  
Qiannan Gao ◽  
Shunli Shang ◽  
Jiong Wang ◽  
Jianchuan Wang ◽  
Yong Du ◽  
...  
Keyword(s):  
Stacking Fault ◽  
Alloying Elements ◽  
Stacking Fault Energies

scholarly journals Effect of alloying elements on the stacking fault energies of dilute al-based alloys

2018 ◽  
Vol 54 (2) ◽  
pp. 185-196 ◽  
Author(s):  
Q. Gao ◽  
H. Zhang ◽  
R. Yang ◽  
Z. Fan ◽  
Y. Liu ◽  
...  
Keyword(s):  
Shear Deformation ◽  
Systematic Study ◽  
First Principles ◽  
Theoretical Data ◽  
Stacking Fault ◽  
Alloying Elements ◽  
First Principles Calculations ◽  
Equilibrium Volume ◽  
Stacking Fault Energies ◽  
Insight Into

A systematic study of the stacking fault energy (?SF) for the dilute Al-based alloys (Al23X, Al47X and Al71X, where X = Al, Ag, Be, Ca, Cd, Co, Cu, Cr, Fe, Ga, Ge, Hf, In, K, La, Li, Mn, Mg, Ni, Na, Pb, Sc, Sn, Sr, Si, Ti, V, Zn, and Zr) has been performed by means of first-principles calculations. Alias shear deformation is adopted in the present investigations. The presently calculated ?SF for Al is in favorable accordance with experimental and other theoretical data. For the targeted elements, the calculations indicate that Na, Si, K, Ca, Sc, Ga, Ge, Sr, Zr, In, Sn, La, Hf, and Pb, in any concentration we considered, decrease the ?SF of Al, while Ag, Be, Cd, Co, Cu, Cr, Fe, Li, Mn, Mg, Ni, Ti, V, and Zn increase the ?SF of Al, when the concentration of alloying elements is 1.39 at. % in the system. With increasing concentration of alloying elements, Li, Mg, V, Ti, and Cd change from increasing the ?SF of Al to decreasing it, based on present investigations. Among the alloying elements, which decrease the ?SF of Al, La decreases the ?SF most significantly. It is also found that the ?SF of Al-X generally decreases with the increase of equilibrium volume. The results obtained in the present work provide an insight into the design of Al based alloys.

scholarly journals Effects of Alloying Elements on Stacking Fault Energies and Electronic Structures of Binary Mg Alloys: A First-Principles Study

2013 ◽  
Vol 2 (1) ◽  
pp. 29-36 ◽  
Author(s):  
William Yi Wang ◽  
Shun Li Shang ◽  
Yi Wang ◽  
Zhi-Gang Mei ◽  
Kristopher A. Darling ◽  
...  
Keyword(s):  
First Principles ◽  
Electronic Structures ◽  
Stacking Fault ◽  
Mg Alloys ◽  
Alloying Elements ◽  
First Principles Study ◽  
Stacking Fault Energies
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