Effects of Co and Cr on bcc Fe grain boundaries cohesion from first-principles study

Computational Materials Science

Volumn 38, Issue 1, 2006, Pages 217-222

  Shang, Jia Xiang ^a   Zhao, Xiao Dan ^a   Wang, Fu He ^b   Wang, Chong Yu ^c   Xu, Hui Bin ^a  

^a BEIHANG UNIVERSITY   (China)

^b CAPITAL NORMAL UNIVERSITY   (China)

^c TSINGHUA UNIVERSITY   (China)

Author keywords

Alloying elements; First principles calculations; Grain boundary

Indexed keywords

ALLOYING ELEMENTS; CHROMIUM; COBALT; ELECTRONIC PROPERTIES; GRAIN BOUNDARIES; PROBABILITY DENSITY FUNCTION; THERMODYNAMICS;

ANTI-PARALLEL SPIN; FIRST-PRINCIPLES CALCULATIONS; GEOMETRY EFFECT;

IRON;

EID: 33748894011     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2006.02.010     Document Type: Article

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