Atomistic phenomena in dense fluid shock waves

The shock structure problem is one of the classical problems of fluid mechanics and at least for non-reacting dilute gases it has been considered essentially solved. Here we present a few recent findings, to show that this is not the case. There are still new physical effects to be discovered provided that the numerical technique is general enough to not rule them out a priori. While the results have been obtained for dense fluids, some of the effects might also be observable for shocks in dilute gases.     

Geometry and electronic structure of a heterometallic cluster Mo<Subscript>2</Subscript>Mg<Subscript>2</Subscript> in different oxidation states of Mo: a DFT study

Reduction of tetranuclear heterometallic complex Mo₂Mg₂ was simulated using the B3LYP and PBE density functional methods. The results of geometry calculations of the initial complex [Mo^VIO₂Mg(MeOH)₂(OMe)₄]₂ and a partially reduced Mo^V complex are in good agreement with experimental data. The reduced Mo^III complex is characterized by a decrease in the binding energy of aqua ligands. Structural rearrangement of the complex with release of a coordination position at the Mo atoms requires small energy expenditure. One can assume that the reduction of the polynuclear complex causes overcrowding of its coordination sphere, which favors formation of dinitrogen complexes. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 441–457, March, 2008.     

Thermal degradation of composites of poly(methyl methacrylate) with alkoxysilane hydrolyzates

Organic-inorganic composites of poly(methyl methacrylate) with alkoxysilane hydrolyzates form transparent films. Their thermal and oxidative thermal degradation were studied by differential scanning calorimetry and thermogravimetric analysis.     

Korrosionsuntersuchung

Ohne Zusammenfassung     

Numerical simulation of nanoparticle images in scanning near-field optical microscopy

The images of magnetic and nonmagnetic nanoparticles obtained by scanning near-field microscopy in the photon collection mode are numerically simulated. A theoretical approach that uses tensor electrodynamic Green’s functions to find the optical near field in a given observation scheme is considered. Typicalimages of nanoparticles with various shapes are obtained by numerical simulation. Subject to boundary conditions, the plane of polarization is shown to change at topographic features (edges and angles) of objects studied. This makes the observation of the magnetic structure of a nanoparticle with a magnetooptic method difficult. The near-field study of the magnetization distribution in homogeneous thin films appears to be more effective, since the rotation of plane of polarization is associated primarily with the magnetic properties of the sample in this case.     

The 7th Asian Symposium on Visualization

The 7th Asian Symposium on Visualization (7ASV) was successfully held in Singapore from 3^rd to 7^th November 2003. This event was originally scheduled from 26^th to 30^th May 2003, but had to be postponed because of the outbreak of SARS (Severe Acute Respiratory Syndrome) in some parts of the world. A total number of 122 participants attended the Symposium of which, 107 were foreign participants from 16 countries (excluding Singapore) worldwide. There were 104 papers covering broad range of topics presented at the Symposium which were delivered in 2×7 long sessions, and 9 keynote papers.