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[en] In this paper, the authors propose a simple interatomic potential model for zirconium which successfully reproduces the phonon dispersion curves in both the α- and the β-phases as well as the temperature-induced phase transformation., Two interesting phenomena that help to understand the anomalous diffusion in the high-temperature β-phase are observed: the spontaneous formation of Frenkel-pairs and the highly correlated walk of the vacancy
Source
Daw, M.S. (Sandia National Laboratories, Livermore, CA (United States)); Schluter, M.A. (AT and T Bell Laboratories, Murray Hill, NJ (United States)); 358 p; ISBN 1-55899-082-8; 
; 1990; p. 295-300; Materials Research Society; Pittsburgh, PA (United States); Spring meeting of the Materials Research Society (MRS); San Francisco, CA (United States); 16-21 Apr 1990; CONF-900466--; Materials Research Society, 9800 McKnight Rd., Suite 327, Pittsburgh, PA 15237 (USA)
; 1990; p. 295-300; Materials Research Society; Pittsburgh, PA (United States); Spring meeting of the Materials Research Society (MRS); San Francisco, CA (United States); 16-21 Apr 1990; CONF-900466--; Materials Research Society, 9800 McKnight Rd., Suite 327, Pittsburgh, PA 15237 (USA)