Study of atom bombardment isomers clusters Ti₇. Molecular dynamics simulation

N.A. Pan'kin

DOI: 10.26456/pcascnn/2016.8.280

Original article

Abstract: Molecular dynamics has been performed of synthesis processes and ion bombardment titanium clusters Ti₇ with pentagonal bipyramid structures (space group – D_5h ) and octahedron with an attached one of its faces a tetrahedron ( C_3υ). It is shown that an increase in the synthesis temperature is accompanied by increased frequency of the low-energy D_5h structure. The initial temperature of isomers (up to 300K ) does not affect the interaction of the ion-cluster. The distribution of the particles formed as a result of cluster ion bombardment, according to their size. We construct the energy spectrum and the function for scattering angles for the distribution of ions and atoms and their analysis.

Keywords: cluster, isomers, bombardment, distribution function, space group

• N.A. Pan'kin

Reference:

Pan'kin, N.A. Study of atom bombardment isomers clusters Ti₇. Molecular dynamics simulation / N.A. Pan'kin // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. — 2016. — I. 8. — P. 280-291. DOI: 10.26456/pcascnn/2016.8.280. (In Russian).

Full article (in Russian): download PDF file

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