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.     

Synthesis of new derivatives of α-mangostin (microreview)

Chemistry of Heterocyclic Compounds - This microreview presents the current state of research on functionalization of α-mangostin, a natural hydroxyxanthone. Examples of transformations are...     

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.     

Characterisation of oxygen defects in calciumdifluoride

We study the aggregation of oxygen dipoles well dispersed in a CaF₂ crystal upon annealing at temperatures ranging from 370 to 420 K. The concentration of oxygen dipoles is monitored by measuring the intensity of the ionic thermocurrent peak as well as by absorption and luminescence spectroscopies. Results from three methods agree within experimental error and yield an activation energy of (1.2±0.1) eV for the diffusion of isolated oxygen centres in the crystal.     

A New Differential Method Applied to the Study of Arbitrary Cross Section Microstructured Optical Fibers

The present work adapts a recent grating theory called “Fast Fourier factorization” to cylindrical coordinates in order to study microstructured optical fibers (MOFs). Compared with the classical differential method, this new differential method takes into account the truncation of Fourier series and the discontinuities of the fields across the diffracting surface with the help of new factorization rules. The main advantage of this method is that the directrix of the diffracting cylindrical surface is arbitrary and permits anisotropic and inhomogeneous media although its numerical application needs longer computation time, compared with other well-known numerical methods. The S-propagation algorithm is used to avoid numerical contaminations. The numerical results are validated and compared with the well-established Multipole method in the case of a MOF with six circular cylinders. Further, a new cross-sectional profile (with sectorial inclusions) that the Multipole method cannot consider is studied.