ATOMIC STRUCTURE OF CLUSTERS ZIRCONIUM ZrN MOLECULAR DYNAMICS SIMULATION
N.A. Pankin
DOI: 10.26456/pcascnn/2014.6.295
Original article
Abstract: Various isomers of free clusters of zirconium ZrN ( N = 4 ÷ 15) were studied. The results were obtained using molecular dynamics simulation and many-body Clery and Rosato interaction potential. The average length and the binding energy, the coordination number and the frequency of occurrence of various isomers were calculated.
Keywords: clusters of zirconium, classical molecular dynamics, many-body potential, atomic structure
- N.A. Pankin
Reference:
Pankin N.A. Atomnaya struktura klasterov tsirkoniya ZrN (N = 4 ÷ 15): molekulyarno-dinamicheskoe modelirovanie [ATOMIC STRUCTURE OF CLUSTERS ZIRCONIUM ZrN MOLECULAR DYNAMICS SIMULATION], Fiziko-khimicheskie aspekty izucheniya klasterov, nanostruktur i nanomaterialov [Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials], 2014, issue 6, pp. 295-300. DOI: 10.26456/pcascnn/2014.6.295. ⎘
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