Radiation resistance of the xenotime YPO 4 from the computer simulation data

Glass Physics and Chemistry

Volumn 38, Issue 1, 2012, Pages 55-62

  Urusov, V S ^a   Grechanovsky, A E ^b   Eremin, N N ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b Mineralogy and Ore Formation of NAS of Ukraine   (Ukraine)

Author keywords

computer simulation of the structure and properties of the crystal; energies of formation and annihilation of Frenkel defects; molecular dynamics for calculations of a cascade of displaced atoms; radiation resistance of the yttrium orthophosphate (xenotime) crystal; semiempirical interatomic potential method

Indexed keywords

ATOMIC DISPLACEMENT; ENERGIES OF FORMATION; FRENKEL PAIRS; INTERATOMIC POTENTIAL; INTERSTITIAL SITES; MOLECULAR DYNAMICS METHODS; OPTIMAL CRITERIA; RADIATION RESISTANCE; SEMI-EMPIRICAL INTERATOMIC POTENTIAL; STRUCTURE AND PROPERTIES; SUPER CELL; THORIUM ATOMS; XENOTIME;

ATOMS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; YTTRIUM;

MOLECULAR DYNAMICS;

EID: 84857750959     PISSN: 10876596     EISSN: None     Source Type: Journal    
DOI: 10.1134/S1087659612010178     Document Type: Article

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