Ab initio simulation on the crystal structure and elastic properties of carbonated apatite

Journal of the Mechanical Behavior of Biomedical Materials

Volumn 26, Issue , 2013, Pages 59-67

  Ren, Fuzeng ^a,b   Lu, Xiong ^c   Leng, Yang ^a  

^a HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Hong Kong)

^b University of Illinois at Urbana Champaign   (United States)

^c SOUTHWEST JIAOTONG UNIVERSITY   (China)

Author keywords

Carbonated apatite; Crystal structure; Elastic properties; Quantum mechanics; Simulation

Indexed keywords

AB INITIO SIMULATIONS; CARBONATE SUBSTITUTIONS; CARBONATED APATITE; CHARGE COMPENSATION MECHANISM; ELASTIC PROPERTIES; ENERGY CONFIGURATIONS; SIMULATION; STABLE CONFIGURATION;

APATITE; CALCULATIONS; CRYSTAL STRUCTURE; ELASTICITY; LATTICE CONSTANTS; METAL IONS; QUANTUM THEORY;

CARBONATION;

APATITE; CALCIUM ION; CARBONATED APATITE; CARBONIC ACID; HYDROXYAPATITE; PHOSPHATE; UNCLASSIFIED DRUG;

ARTICLE; CRYSTAL STRUCTURE; ELASTICITY; ENERGY; PRIORITY JOURNAL; QUANTUM MECHANICS; SIMULATION; YOUNG MODULUS;

CARBONATED APATITE; CRYSTAL STRUCTURE; ELASTIC PROPERTIES; QUANTUM MECHANICS; SIMULATION;

APATITES; CRYSTALLOGRAPHY, X-RAY; ELASTIC MODULUS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; POISSON DISTRIBUTION; QUANTUM THEORY; SHEAR STRENGTH;

EID: 84879821506     PISSN: 17516161     EISSN: 18780180     Source Type: Journal    
DOI: 10.1016/j.jmbbm.2013.05.030     Document Type: Article

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