Study of the vibrational states of nanocrystalline carbon by diffuse reflection spectroscopy

The possibility of performing a quantitative analysis of vibrational states of nanocrystalline carbon has been explored by using the spectroscopic method of diffuse IR reflection. An expression derived from the Kubelka-Munk relation has been proposed and employed to investigate the effect of the original parameters of a sample (absorber concentration, sample dispersion, radiation frequency, scattering factors) on the characteristic features of IR spectra. The IR absorption bands observed in the diffuse reflection spectrum of pyrographite were assigned.     

DSC analysis of strengthening precipitates in ultrafine Al–Mg–Si alloys

Equal channel angular pressing (ECAP) was carried out on solution annealed samples of Al–Mg–Si–Zr and Al–Mg–Si–Zr–Sc alloys to achieve a substantial grain refinement of the materials. Post ECAP aging was then investigated on the ultrafine grained alloys by DSC and TEM analyses. DSC scans were carried out with heating rates ranging from 5 to 30°C min^–1. Peak identification was performed by the support of literature information and TEM analyses. Precipitation kinetics revealed to be similar for both alloys but the Sc-free alloy showed a recrystallization peak at temperatures ranging from 310 to 340°C, depending on the strain accumulated during ECAP. On the contrary, the Sc-containing alloy showed a greater grain stability. Analyses of peak positions and of activation energies as a function of ECAP passes experienced by the samples revealed large modifications of precipitation kinetics in the ultrafine-grained alloys with respect to the coarse-grained materials.     

Algebro-Geometric Approach in the Theory of Integrable Hydrodynamic Type Systems

The algebro-geometric approach for integrability of semi-Hamiltonian hydrodynamic type systems is presented. The class of symmetric hydrodynamic type systems is defined and the calculation of the associated Riemann surfaces is greatly simplified for this class. Many interesting and physically motivated examples are investigated.     

Cluster approach in first-principle calculations for ferroelectrics

It is shown that, proceeding from the first principles, it is possible to separate the contributions from short-and long-range interactions to the lattice dynamics and dielectric properties of crystalline dielectrics. The cluster calculations of local force constants and potentials for the matrix and impurity atoms in ferroelectrics with the perovskite structure were made by the Hartree-Fock MOLCAO-SCF method. The parameters of the Devonshire-Slater-Barrett single-ion model are calculated for barium titanate and potassium niobate. The influence of the quantum statistics on the Curie temperature in these ferroelectrics and the isotope effect in barium titanate are also considered.     

Carbide precipitates in solution-quenched PH13-8 Mo stainless steel: A small-angle neutron scattering investigation

This paper deals with the small-angle neutron scattering (SANS) investigation on solution-quenched PH13-8 Mo stainless steel. From the nature of the variation of the functionality of the profiles for varying specimen thickness and also from the transmission electron microscopy (TEM), it has been established that the small-angle scattering signal predominantly originates from the block-like metallic carbide precipitates in the specimen. The contribution due to double Bragg reflection is not significant in the present case. The single scattering profile has been extracted from the experimental profiles corresponding to different values of specimen thickness. In order to avoid complexity and non-uniqueness of the multi-parameter minimization for randomly oriented polydisperse block-like precipitate model, the data have been analyzed assuming randomly oriented polydisperse cylindrical particle model with a locked aspect ratio.     

Long range one-dimensional ordering of lead phthalocyanine monolayer on InSb(1 0 0) (4 × 2)/c(8 × 2)

Sub-monolayer and monolayer of lead phthalocyanine deposited on InSb(1 0 0) (4 × 2)/c(8 × 2) surface have been investigated by scanning tunneling microscopy and low energy electron diffraction. Molecules first adsorb on the indium rows of the (4 × 2)/c(8 × 2) structure in the [1 1 0] direction and diffuse at the surface in order to form two-dimensional islands. The molecule-substrate interaction stabilizes the PbPc molecules on the In rows. It weakens the interaction between molecules located in adjacent rows resulting in numerous gliding planes between the molecular chains, in the direction parallel to the rows. At monolayer completion, a long-range one-dimensional order is adopted by the molecules in the [1 1 0] direction.     

Kinetic C<Subscript>(2)-H</Subscript> exchange study of<Emphasis Type="Italic">Cis</Emphasis>-[(en)<Subscript>2</Subscript>Co(HIm)(enH)]Br<Subscript>4</Subscript> by NMR spectroscopy: Evidence for the acidity of C<Subscript>(2)-H</Subscript> proton

C_(2)-H exchange incis-[(en)₂Co(HIm)(enH)]Br₄ (Im, imidazole; en, ethylenediamine) was studied over a pD range of 9.4 to 10.2 at 60°C where thecis-[(en)₂Co(Him)(enH)]⁴⁺ andcis-[(en)₂Co(HIm)(en)]³⁺ are the species present in significant concentrations.Cis-[(en)₂Co(HIm)(enH)]⁴⁺ has pK_a1 7.86 and pK_a2 9.82 with pK_a1 corresponding to coordinated enH ionization and pK_a2 to ImH ionization. The kinetic data may be interpreted in terms of an intramolecular H-D exchange mechanism, where the “dangling”-ND₂CH₂CH₂ND₂ group acts as a base to remove the imidazole C_(2)-H proton from the coordinated DIm moiety.     

<Superscript>6</Superscript>He + <Superscript>6</Superscript>He Clustering of <Superscript>12</Superscript>Be in a Microscopic Algebraic Approach

The norm kernel of the A=12 system composed of two ⁶He clusters, and the L=0 basis functions (in the SU(3) and angular momentum-coupled schemes) are analytically obtained in the Fock-Bargmann space. The norm kernel has a diagonal form in the former basis, but the asymptotic conditions are naturally defined in the latter one. The system is a good illustration for the method of projection of the norm kernel to the basis functions in the presence of SU(3) degeneracy that was proposed by the authors. The coupled-channel problem is considered in the algebraic version of the resonating-group method, with the multiple decay thresholds being properly accounted for. The structure of the ground state of ¹²Be obtained in the approximation of zero-range nuclear force is compared with the shell-model predictions. In the continuum part of the spectrum, the S-matrix is constructed, the asymptotic normalization coefficients are deduced and their energy dependence is analyzed.     

Computation of triple differential cross-sections with the inclusion of exchange effects in atomic K-shell ionization by relativistic electrons for symmetric geometry

The triple differential cross-section for K-shell ionization of silver and copper atoms by relativistic electrons have been computed in the coplanar symmetric geometry with the inclusion of exchange effects following the multiple scattering theory of Das and Seal [1] multiplied by suitable spinors. Present computed results are marginally improved in some cases from the previous computed results [2]. Present results are compared with measured values [3] and with previous computation results [2]. Some other theoretical computational results are also presented here for comparison.