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Impurity effects on the melting of Ni clusters
Andrey Lyalin, Adilah Hussien, Andrey V. Solov'yov +1
We demonstrate that the addition of a single carbon impurity leads to significant changes in the thermodynamic properties of Ni clusters consisting of more than a hundred atoms. Th…
Stability of Small Neutral and Charged Strontium Clusters
A. Lyalin, A. V. Solov'yov, C. Brechignac +1
Dissociation and fission of small neutral, singly and doubly charged strontium clusters are studied by means of ab initio density functional theory methods and high-resolution time…
Geometrical and statistical factors in fission of small metal clusters
O. I. Obolensky, A. G. Lyalin, A. V. Solov'yov +1
Fission of metastable charged univalent metal clusters has been studied on example of Na_{10}^{2+} and Na_{18}^{2+} clusters by means of density functional theory methods. Energeti…
Rearrangement of cluster structure during fission processes
A. G. Lyalin, O. I. Obolensky, A. V. Solov'yov +2
Results of molecular dynamics simulations of fission reactions and are presented. Dependence of the fission barriers…
Evolution of electronic and ionic structure of Mg-clusters with the growth cluster size
Andrey Lyalin, Ilia A Solov'yov, Andrey V Solov'yov +1
The optimized structure and electronic properties of neutral and singly charged magnesium clusters have been investigated using ab initio theoretical methods based on density-funct…