A critical assessment of interatomic potentials for ceria with application to its elastic properties

Solid State Ionics

Volumn 181, Issue 11-12, 2010, Pages 551-556

  Xu, Haixuan ^a   Behera, Rakesh K ^a   Wang, Yanli ^a   Ebrahimi, Fereshteh ^a   Sinnott, Susan B ^a   Wachsman, Eric D ^a   Phillpot, Simon R ^a  

^a J Crayton Pruitt Family Department of Biomedical Engineering   (United States)

Author keywords

Ceria; Elastic properties; Interatomic potentials; Mechanical properties; Molecular dynamics; Simulation; Solid oxide fuel cell

Indexed keywords

CHEMICAL EXPANSION; CRITICAL ASSESSMENT; DOPED-CERIA; ELASTIC PROPERTIES; FUNDAMENTAL PROPERTIES; INTERATOMIC POTENTIAL; MOLECULAR DYNAMICS SIMULATIONS; OXYGEN MIGRATION;

BIOMECHANICS; CERIUM COMPOUNDS; DIELECTRIC MATERIALS; DIELECTRIC PROPERTIES; ELASTICITY; LATTICE CONSTANTS; MOLECULAR DYNAMICS; OXYGEN; SOLID OXIDE FUEL CELLS (SOFC); STOICHIOMETRY; THERMAL EXPANSION; VIBRATIONS (MECHANICAL);

MECHANICAL PROPERTIES;

EID: 77950543767     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssi.2010.02.023     Document Type: Article

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