Oxide Scale Evolution on Binary Alloys: Transient State Kinetics from First Principles

2020 ◽  
Vol MA2020-02 (9) ◽  
pp. 1176-1176
Author(s):  
Penghao Xiao ◽  
Brandon C. Wood
Keyword(s):  
Oxide Scale ◽  
First Principles ◽  
Binary Alloys ◽  
Transient State ◽  
Scale Evolution

scholarly journals Generalized Stacking Fault Energy of {10-11} Slip System in Mg-Based Binary Alloys: A First Principles Study

Materials ◽  
2019 ◽  
Vol 12 (9) ◽  
pp. 1548 ◽  
Author(s):  
Yuchen Dou ◽  
Hong Luo ◽  
Jing Zhang ◽  
Xiaohua Tang
Keyword(s):  
Slip System ◽  
First Principles ◽  
Solute Atom ◽  
Binary Alloys ◽  
Stacking Fault ◽  
Magnesium Matrix ◽  
Wide Range ◽  
Generalized Stacking Fault ◽  
Stacking Fault Energies ◽  
Generalized Stacking Fault Energy

In this work, the generalized stacking fault energies (GSFEs) of {10-11}<11-23> slip system in a wide range of Mg-X (X = Ag, Al, Bi, Ca, Dy, Er, Gd, Ho, Li, Lu, Mn, Nd, Pb, Sc, Sm, Sn, Y, Yb, Zn and Zr) binary alloys has been studied. The doping concentration in the doping plane and the Mg-X system is 12.5 at.% and 1.79 at.%, respectively. Two slip modes (slip mode I and II) were considered. For pure magnesium, these two slip modes are equivalent to each other. However, substituting a solute atom into the magnesium matrix will cause different effects on these two slip modes. Based on the calculated GSFEs, two design maps were constructed to predict solute effects on the behavior of the {10-11}<11-23> dislocations. The design maps suggest that the addition of Ag, Al, Ca, Dy, Er, Gd, Ho, Lu, Nd, Sm, Y, Yb and Zn could facilitate the {10-11}<11-23> dislocations.

First Principles Calculations of Transition Metal Binary Alloys: Phase Stability and Surface Effects

2017 ◽  
Vol 46 (6) ◽  
pp. 3776-3783 ◽  
Author(s):  
Susan Meñez Aspera ◽  
Ryan Lacdao Arevalo ◽  
Koji Shimizu ◽  
Ryo Kishida ◽  
Kazuki Kojima ◽  
...  
Keyword(s):  
Transition Metal ◽  
Phase Stability ◽  
First Principles ◽  
Binary Alloys ◽  
Surface Effects ◽  
First Principles Calculations

A first principles study of the stacking fault energies for fcc Co-based binary alloys

2017 ◽  
Vol 136 ◽  
pp. 215-223 ◽  
Author(s):  
Li-Yun Tian ◽  
Raquel Lizárraga ◽  
Henrik Larsson ◽  
Erik Holmström ◽  
Levente Vitos
Keyword(s):  
First Principles ◽  
Binary Alloys ◽  
Stacking Fault ◽  
First Principles Study ◽  
Stacking Fault Energies

No miscibility gap in Pt–Rh binary alloys: A first-principles study

2012 ◽  
Vol 60 (3) ◽  
pp. 1093-1098 ◽  
Author(s):  
S.B. Maisel ◽  
T.C. Kerscher ◽  
S. Müller
Keyword(s):  
First Principles ◽  
Binary Alloys ◽  
Miscibility Gap ◽  
First Principles Study
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