atomistic calculation
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scholarly journals First principles and atomistic calculation of the magnetic anisotropy of Y2Fe14B

2021 ◽  
Vol 130 (2) ◽  
pp. 023901
Author(s):  
Ramón Cuadrado ◽  
Richard F. L. Evans ◽  
Tetsuya Shoji ◽  
Masao Yano ◽  
Akira Kato ◽  
...  
Keyword(s):  
Magnetic Anisotropy ◽  
First Principles ◽  
Atomistic Calculation

scholarly journals Hydrogen Behavior in Primary Precipitate of F82H Steel: Atomistic Calculation Based on the Density Functional Theory

2015 ◽  
Vol 10 (0) ◽  
pp. 1205086-1205086
Author(s):  
Yoshiyuki WATANABE ◽  
Hirotomo IWAKIRI ◽  
Norihiko MURAYOSHI ◽  
Daiji KATO ◽  
Hiroyasu TANIGAWA
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Functional Theory ◽  
The Density Functional Theory ◽  
Primary Precipitate ◽  
Atomistic Calculation
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