Spontaneous bending of 2D molecular bottle-brush

Using a scaling approach we consider a 2D comb copolymer brush under bending deformations. We show that the rectilinear brush is locally stable and can be characterized by a persistence length λ increasing with the molecular weight of grafting side chains as λ ∼ M³. A bending instability due to redistribution of the side chains appears in the non-linear regime where bending is strong. Arguments are presented that the brush conformations consist of alternating rectilinear and bent sections corresponding to the different free-energy minima.     

Regions of stability for LDA,HDA, and VHDA amorphous ices

Model structures have been created for ice Ih and for low density (LDA), high density (HDA), and very high density (VHDA) amorphous ices using the procedure for determining the equilibrium configurations of molecules in amorphous phases. The chemical potentials of these ices were calculated for wide ranges of temperature and pressure. The curves of equilibrium phase transitions have been plotted. It is shown that at high pressures, VHDA ice is more stable than Ih, while HDA ice is metastable with respect to VHDA over the whole range of pressures and temperatures. These calculations provide an explanation to the experimentally observed transition of HDA into a higher density phase (VHDA) during isobaric heating.     

On the construction of unit longitudinal-vortex vector fields with the use of smooth mappings

A solution is given for the problem of constructing a unit vector field collinear to the field of its curl. The solution is based on the use of a suitably parametrized orthogonal transformation of a unit vector field that is potential in ?³. The result is stated in the theorem that contains the recipe for constructing the required field.     

Interpolating-orthogonal wavelet systems

A basis of harmonic wavelets is constructed in an elliptic ring, and its approximation properties are investigated. The results are used to analyze the behavior of a boundary-value Dirichlet problem under the contraction of the inner boundary of the ring to a segment.     

The electrical and structural properties of InyGa1 ? yAs/InxAl1 ? xAs/InP quantum wells with different InAs content

In _x Al_{1 − x} As/In _y Ga_{1 − y} As/In _x Al_{1 − x} As/InP HEMT structures has been investigated with a change in the InAs molar fraction both in the quantum well and the buffer layer. The electrical parameters of the samples are measured at different temperatures. The structural parameters of the layers and the characteristics of the interfaces between them are determined by double-crystal X-ray diffraction. An increase in the Hall mobility and electron concentration, as well as in the structural quality of the samples, is observed alongside an increase in the InAs molar fraction in the quantum well. It is established that high electron mobility is retained at small (to 5%) mismatches between the buffer layer and substrate.     

Theoretical investigation of ozone hydrate formation conditions

Structural, dynamic, and thermodynamic properties of ozone, oxygen, and mixed ozone-oxygen hydrates are investigated. The thermodynamic stability regions of these hydrates are found. Ozone can form hydrates at ambient pressure and temperatures below 230 K. Strong dependence of the binary hydrate formation pressure on the ozone concentration in the gas phase is shown. In the formation of the hydrate, ozone concentrates in the hydrate phase. At an ozone concentration of 5 mol.% in the gas phase, the ozone content in the hydrate reaches 40%.     

Synthesis and Structure of Derivatives of 9-(2-Oxopropyl)-1,5-dinitro-7,8-benzo-3-azabicylo[3.3.1]non-7-en-6-ones

A number of 3-R-9-(2-oxopropyl)-1,5-dinitro-7,8-benzo-3-azsbicyclo[3.3.1]non-7-en-6-ones was synthesized by Mannich reaction involving Yanovsky adduct of 2,4-dinitronaphthol. It was established by molecular spectroscopy and X-ray diffraction analysis that the piperidine ring in these compounds was in the chairconformation with a diequatorial position of the substituent attached to the heteroatom and 2-oxo-propyl group, and the cyclohexenone fragment was in sofaform. By an example of 3-methyl-9-(2-oxopropyl)-1,5-dinitro-7,8-benzo-3-azsbicyclo[3.3.1]non-7-en-6-one the dissociative ionization of bicyclononanes under the electron impact was investigated.     

Mass spectrometric study of 2-keto(thio)tetrahydropyrimidine derivatives

The fragmentation pathways of 2-keto(thio)-6-methyl-5-carbethoxy(acetyl)-4-aryl-1,2,3,4-tetrahydropyrimidines were established using high resolution mass spectra and DADI spectra. An unusual rearrangement was observed, which involves cyclization of the aryl substituent in the 4 position with the oxygen of an ester group and elimination of a C₂H₅ radical.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 3, pp. 360–365, March, 1989.