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5 papers · 1 filter
Thermal stability of cubane C8H8
M. M. Maslov, D. A. Lobanov, A. I. Podlivaev +1
The reasons for the anomalously high thermal stability of cubane C8H8 and the mechanisms of its decomposition are studied by numerically simulating the dynamics of this metastable…
Violation of the Equipartition Theorem for Thermally Insulated Clusters of Atoms with Different Masses
L. A. Openov, A. I. Podlivaev
An expression is derived for calculating microcanonical-ensemble averages of the kinetic energies of atoms of different types in clusters isolated from the environment. This expres…
Quantum Dot Version of Berry's Phase: Half-Integer Orbital Angular Momenta
V. D. Mur, N. B. Narozhny, A. N. Petrosyan +1
We show that Berry's geometrical (topological) phase for circular quantum dots with an odd number of electrons is equal to πand that eigenvalues of the orbital angular momentum run…
Stability of C20 fullerene chains
L. A. Openov, I. V. Davydov, A. I. Podlivaev
The stability of (C20)N chains with N = 3 - 7 is analyzed by numerical simulation using a tight-binding potential and molecular dynamics. Various channels of losing the cluster-cha…
Formation of a "Cluster Molecule" (C20)2 and its thermal stability
A. I. Podlivaev, L. A. Openov
The possible formation of a "cluster molecule" (C20)2 from two single C20 fullerenes is studied by the tight-binding method. Several (C20)2 isomers in which C20 fullerenes are boun…