Molecular dynamics study of cluster structure and rotational wave properties in solid-state nanostructures

Molecular dynamics simulation was performed to study the formation of cluster structure, interfaces, and surfaces with different curvature radii in a perfect nanocrystal passed through by a nonlinear wave. It is shown that this process is a type of nanostructure self-organization in response to an external energy flux with subsequent development of a strong rotational field.     

Nonequilibrium Ionization by Vibrationally Excited Molecules in Supersonic Flows

The results of experimental investigations on thermal nonequilibrium ionization in CO₂: N₂: He mixtures are presented. Measurements of electron density, n_e, in vibrationally excited nitrogen were made in a supersonic flow with different CO₂ contents as well as in a CO₂: N₂: He = 1 : 5 : 4 mixture laser gas. The mixtures were heated in a shock tube and expanded through a supersonic nozzle. Furthermore, supersonic mixing of N₂ and CO₂ + He was used in some experiments. The measured values of n_e in the plenum chamber and in the supersonic nozzle are reported, and the processes responsible for nonequilibrium ionization in a laser-active medium are discussed.     

Eliminating graphs by means of parallel knock-out schemes

In 1997 Lampert and Slater introduced parallel knock-out schemes, an iterative process on graphs that goes through several rounds. In each round of this process, every vertex eliminates exactly one of its neighbors. The parallel knock-out number of a graph is the minimum number of rounds after which all vertices have been eliminated (if possible). The parallel knock-out number is related to well-known concepts like perfect matchings, hamiltonian cycles, and 2-factors.We derive a number of combinatorial and algorithmic results on parallel knock-out numbers: for families of sparse graphs (like planar graphs or graphs of bounded tree-width), the parallel knock-out number grows at most logarithmically with the number n of vertices; this bound is basically tight for trees. Furthermore, there is a family of bipartite graphs for which the parallel knock-out number grows proportionally to the square root of n. We characterize trees with parallel knock-out number at most 2, and we show that the parallel knock-out number for trees can be computed in polynomial time via a dynamic programming approach (whereas in general graphs this problem is known to be NP-hard). Finally, we prove that the parallel knock-out number of a claw-free graph is either infinite or less than or equal to 2.     

Photochemical reduction of organic electron acceptors in aqueous solutions

Conclusions The formation of OH radicals in the photoreduction of aqueous solutions of anthraquinonesulfonic acid as the result of electron transfer from water (OH^–) to a triplet molecule has been demonstrated.Translated from Izvestiya Akademii Nauk, Seriya Khimicheskaya, No. 11, pp. 2615–2617, November, 1969.     

The mechanism of oxidation of indoxyl and its analogs to indigo and indigoides

Conclusions Intermediate formation of 3-oxynaphthenyl-2 radical during oxidation of 3-oxythionaphthene to thioindigo was demonstrated by the inhibitor method. The 1:1 recombination product of this radical and diphenylpicrylhydrazyl was isolated. It is assumed that the postulated oxidation mechanism is general for compounds possessing a methylene group bonded to an electron-donating X group and an electron-accepting C=O group.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 5, pp. 1168–1170, May, 1970.