Higher-energy structures and stability of Cu and al crystals along displacive transformation paths

Journal of Computer-Aided Materials Design

Volumn 12, Issue 2-3, 2005, Pages 161-173

  Cerny M ^a   Boyer, R ^b   Sob M ^c,d   Yip, S ^b  

^a BRNO UNIVERSITY OF TECHNOLOGY   (Czech Republic)

^b MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^c MASARYK UNIVERSITY   (Czech Republic)

^d INSTITUTE OF PHYSICS OF MATERIALS   (Czech Republic)

Author keywords

Ab initio calculations; Displacive transformation paths; Elastic stability; Semi empirical interatomic potentials

Indexed keywords

ALUMINUM; ELECTRONIC STRUCTURE; GROUND STATE; MATHEMATICAL MODELS;

AB INITIO CALCULATIONS; DISPLACIVE TRANSFORMATION PATHS; ELASTIC STABILITY; SEMI-EMPIRICAL INTERATOMIC POTENTIALS;

COPPER;

EID: 33746238666     PISSN: 09281045     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10820-005-2086-4     Document Type: Article

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