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Materials Science Forum

Volumn 561-565, Issue PART 3, 2007, Pages 1971-1974

First principles study of point defects in uranium dioxide

(6) Chen, Ying a Iwasawa, Misako b Kaneta, Yasunori a Ohnuma, Toshiharu b Geng, Hua Yun a Kinoshita, Motoyasu b,c

a UNIVERSITY OF TOKYO (Japan)

b CENTRAL RESEARCH INSTITUTE OF ELECTRIC POWER INDUSTRY (Japan)

c JAPAN ATOMIC ENERGY AGENCY (Japan)

Author keywords

Defect concentration; Electronic structure; First principles method; Formation energy; GGA+U; Lattice relaxation; PAW; Point defect; Point defect model; UO2; Xe

Indexed keywords

ELECTRONIC STRUCTURE; LATTICE CONSTANTS; NUMERICAL METHODS; POINT DEFECTS; RELAXATION PROCESSES; THERMODYNAMIC PROPERTIES;

DEFECT CONCENTRATION; FIRST PRINCIPLES METHOD; FORMATION ENERGY; POINT DEFECT MODELS;

URANIUM DIOXIDE;

EID: 38349123638 PISSN: 02555476 EISSN: 16629752 Source Type: Book Series
DOI: 10.4028/0-87849-462-6.1971 Document Type: Conference Paper

Times cited : (2)

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