scholarly journals First-principles study of temperature-dependent diffusion coefficients: Hydrogen, deuterium, and tritium in α-Ti

2013 ◽  
Vol 113 (19) ◽  
pp. 193502 ◽  
Author(s):  
Yong Lu ◽  
Ping Zhang
Keyword(s):  
First Principles ◽  
Diffusion Coefficients ◽  
Temperature Dependent ◽  
First Principles Study ◽  
Hydrogen Deuterium

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 self-diffusion coefficients of fcc Ni

2014 ◽  
Vol 86 ◽  
pp. 17-23 ◽  
Author(s):  
Chelsey Z. Hargather ◽  
Shun-Li Shang ◽  
Zi-Kui Liu ◽  
Y. Du
Keyword(s):  
First Principles ◽  
Diffusion Coefficients ◽  
Self Diffusion ◽  
First Principles Study

Temperature-dependent properties of monolayer MoS2 annealed in an Ar diluted S atmosphere: an experimental and first-principles study

2017 ◽  
Vol 5 (42) ◽  
pp. 11138-11143 ◽  
Author(s):  
Lei Wang ◽  
Xiaohong Ji ◽  
Fei Chen ◽  
Qinyuan Zhang
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Monolayer Mos2 ◽  
Temperature Dependent ◽  
Structural And Optical Properties ◽  
First Principles Study ◽  
Temperature Dependent Properties

Monolayer MoS2 annealed under an Ar diluted S atmosphere exhibited novel structural and optical properties.

Temperature-dependent diffusion coefficients fromab initiocomputations: Hydrogen, deuterium, and tritium in nickel

2008 ◽  
Vol 77 (13) ◽  
Author(s):  
Erich Wimmer ◽  
Walter Wolf ◽  
Jürgen Sticht ◽  
Paul Saxe ◽  
Clint B. Geller ◽  
...  
Keyword(s):  
Diffusion Coefficients ◽  
Temperature Dependent ◽  
Hydrogen Deuterium

Temperature-dependent stacking fault energies of 4H-SiC: A first-principles study

2020 ◽  
Vol 127 (12) ◽  
pp. 125703 ◽  
Author(s):  
Hiroki Sakakima ◽  
So Takamoto ◽  
Asuka Hatano ◽  
Satoshi Izumi
Keyword(s):  
First Principles ◽  
Stacking Fault ◽  
Temperature Dependent ◽  
First Principles Study ◽  
Stacking Fault Energies
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