Vol 43, No 6 (2017)
- Year: 2017
- Articles: 20
- URL: https://journals.rcsi.science/1087-6596/issue/view/13453
Article
“Non-Conformist Crystallography”
Abstract
Now, 25 years or so after the quasi-crystal affair, we can perhaps see the development of crystallography, as it turns into nanotechnology and molecular biology, in a still longer-term perspective as part of the struggle to understand the universe rationally in the face of competing theories and superstitions. We follow changes of paradigm in investigations of the structure of matter and in various dualities, in particular in the dialogue between materials and information. In a small way, the discovery of quasi-crystals exhibits the interactions between the different world representations, Platonic, mental and physical (here labelled P, Q, R) and between conceptions of Laws, Natural, Mathematical, Civil/Military and Divine.
The Symmetric and Topological Code of the Cluster Self-Assembly of the Crystal Structure of ε-Mg23Al30 of K63 Nanoclusters
Abstract
The geometrical and topological analysis of the crystal structure of intermetallide ε-Mg23Al30 (ToposPro program) with V = 3098.0 Å3 and space group R-3 is carried out. The symmetric and topological codes of the cluster self-assembly of the crystal structure are determined: primary chain S31 → microlayer S32 → microframework S33. A new type of nanocluster-precursor of the crystal structure, which is formed on the internal 13-atomic cluster, which represents a template and consists of two bound ridged rings Mg–Al–Mg–Al–Mg–Al with the central Mg atom, is discovered. A quasi-spherical deltahedron shell made from 50 atoms is formed on the template. The center of a K63 cluster occupies the position with the point symmetry 3̅ in the unit cell. There are six neighboring K63 clusters in the local environment of the K63 cluster in the layer. The basic 3D network, which characterizes the location of the gravity centers of the K63 clusters, corresponds to a hexagonal closely packed network (HCP, Mg type) with CN = 12. The localization of two Mg atoms in the pores of the framework is determined.
Modeling Self-Organization Processes in Crystal Forming Systems. Symmetry and Topology Codes of Cluster Self-Assembly of Crystal Structure of Na44Tl7 (Na6Tl)
Abstract
The geometrical and topological analysis of the crystal structure of intermetallide Na44Tl7 (Na6Tl, a = 24.154 Å, V = 14091.8 Å3, space group F-43m) is carried out. The algorithms of the combinatorial-topological analysis, which ensure the recovery of the symmetrical and topological code (program) of the cluster self-assembly of the crystal structure of an intermetallide, are developed. The topological type of the basic 3D network for two types of cluster precursors corresponds to a simple cubic 3D network Pc with CN = 6 and basic 2D network of type 44. There are eight cluster precursors in the unit cell: four K86 and four K50. The cluster precursor K86 made from 86 atoms is formed from eight icosahedra i-TlNa12 linked by the apices. The center of the cluster precursor K86 is at the position 4a (0, 0, 0) with the point symmetry g = –43m. The 50-atomic cluster precursor K50 consists of six i-TlNa12 icosahedra. The center of the cluster precursor K50 is in the partial position 4b (0, 0, 0) with the point symmetry g = –43m. The symmetrical and topological codes of the self-assembly of 3D structures from nanocluster precursors K86 and K50 are reconstructed in the following form: primary chain → microlayer → microframework.
Radioactive Equilibrium of 119mTe/119Sb Isotopes and Mössbauer Spectra of Impurity 119mSn Atoms in Crystalline and Vitreous Chalcogenide Semiconductors
Abstract
Information on the valence and coordination states of the daughter 119mSn atoms formed from the parent 119Sb and 119mTe atoms at the cation and anion sites of crystalline lead chalcogenides (PbS, PbTe) and vitreous arsenic chalcogenides (As2S3, As2Te3) is obtained by the method of emission Mössbauer spectroscopy with the parent 119mTe isotope being in a state of mobile radioactive equilibrium with the daughter 119Sb isotope. It is shown that the ratio of different valence and coordination states of tin atoms in crystals and glasses depends on the time of the preparation of Mössbauer sources. The displacement of a part of the daughter 119Sb atoms from positions of parent 119mTe atoms as a result of the decay of the latter is demonstrated.
Optical Investigation of Sm3+ Doped in Phosphate Glass
Abstract
Samarium doped zinc-magnesium-phosphate glasses having composition (60 – x)P2O5–10MgO–30ZnO–xSm2O3 where x = 0.1, 0.3, 0.6, 1.0 mol % were prepared by melt quenching technique. Archimedes method was used to measure their densitieswhich are lying in the range 2.65–2.91 g/cm3. On the basis of the increasing trend in the density while increasing the content of Sm2O3 it can be concluded that the bridging oxygen is converted to non-bridging oxygen The UV-Vis absorption spectroscopy was carried on in the wavelength range 310–900 nm where the absorption spectra consist of six absorption peaks corresponding to the transitions from the ground state 6H5/2 to various excited energy levels. The optical band gaps are calculated to be 3.93–4.41 eV, 3.31–3.73 eV and 0.27–0.29 eV for direct band gap, indirect band gap and Urbach energy, respectively. The physical parameters like oxygen packing density, refractive index, molar refractivity, metallization, and electronic polarizability are also studied. The Differential Scanning Calorimetry (DSC) technique is used to evaluate the thermal stability.
Crystallization and Luminescence Properties of Sm3+-Doped SrO–Al2O3–SiO2 Glass-Ceramics
Abstract
Sm3+-doped SrO–Al2O3–SiO2 glass-ceramics with excellent luminescence properties were prepared by batch melting and heat treatment. The crystallization behavior and luminescent properties of the glass-ceramics were investigated. The results indicate that the crystal phase in this system is monocelsian (SrAl2Si2O8). Under the excitation with blue light (475 nm) the Sm3+-doped SrO–Al2O3–SiO2 glass-ceramics emit green, orange and red lights centered at 565, 605, 650 and 715 nm, which can be assigned to the 4G5/2 → 6HJ/2 (J = 5, 7, 9, 11) electron transitions in Sm3+ ions, respectively. With the increase of nucleation/crystallization temperature, the crystallite part rises from 66 to 79%. Besides, by increasing crystallization temperature or concentration of Sm3+, the samples emission located at 565, 605 and 650 nm is intensified significantly. We envision that, by fine controlling and combining of these three (green, orange and red) lights in an appropriate proportion, the Sm3+-doped glass-ceramics are promising luminescence materials for white light-emitting diodes devices.
Matrix Effects under the X-ray Fluorescence of Glass Based on Lithium Tetraborate
Abstract
The experimental dependences of the X-ray fluorescent radiation intensity on the concentration of silicon dissolved in glass based on lithium tetraborate are determined. The experimental dependences are compared to the calculated ones. It is shown that both the experimental and the calculated dependences are described by the same type of equation.
Monte Carlo Design and Experiments on the Neutron Shielding Performances of B2O3–ZnO–Bi2O3 Glass System
Abstract
Neutron shielding properties of (90 – x)B2O3–10ZnO–xBi2O3 glass systems (where x = 15, 20, 25 and 30 mol %) were investigated by Monte Carlo simulations (FLUKA and GEANT4) and experiments. Neutron mass removal cross sections, number of inelastic scattering, elastic scattering, and capture interactions were estimated by simulations. 241Am/Be neutron source was used for the neutron equivalent dose rate measurements. As a result, produced glass samples have fine neutron shielding capacity.
Simulation of the Relaxation Processes of Diffusion in Glasses
Abstract
To consider the relaxation nature of a mass transfer in glass under its interaction with chemical reagents (solutions and melts), the hyperbolic equation, namely, the diffusion wave model was used. The adequacy of the model was confirmed by the calculations of the processes in different glass–reagent systems. The deviation of the calculated values of the mass transfer characteristics from the experimental ones did not exceed the experimental error and, at the initial phase, is by several orders smaller than that in the case of using the Fick equation.
Methods and Approaches of the Sol–Gel Technology for the Surface Modification of Aluminum Oxide Powders
Abstract
The results of studies, sol–gel synthesis, and the sedimentation stability of complex multicomponent sol–gel systems of the “silica sol modified with Co(NO3)2 · 6H2O, Al(NO3)3 · 9H2O with α-Al2O3 or γ-Al2O3 as highly dispersed filler” type are generalized. The physical–chemical processes accompanying the formation of modifying layers on the powder oxide particles are examined. The promising prospects of applying α-Al2O3 powders modified with a silicate layer of the composition (wt %) 1.2K2O · 3Al2O3 · 3.2CaO · 12.5Na2O · 28.1B2O3 · 52SiO2 in the fabrication of ceramic materials with improved strength characteristics are demonstrated.
Characteristics of NanoSilica Produced from Hydrothermal Solutions
Abstract
SiO2 sols and nanopowders are produced from hydrothermal solutions using the following processes: polycondensation of orthosilicic acid, ultrafiltration membrane concentration, and cryochemical vacuum sublimation. The physical–chemical characteristics of SiO2 sols and nanopowders are determined: particle size distribution, specific surface area, viscosity, and impurity ions content. It is demonstrated that the size of SiO2 nanoparticles in sols and nanopowders could attain 5–100 nm. The possibility of applying the produced silica to strengthen the concrete is justified.
Synthesis of a New Layered Rb2Nd2Ti3O10 Oxide, Its Hydration and Protonation
Abstract
A new perovskite-like oxide (Rb2Nd2Ti3O10) is synthesized by the ceramic method. Its stability in a humid atmosphere and aqueous solutions of different acidities is investigated. Under these conditions, the formation of hydrated and protonated compounds is revealed. The parameters of the unit cell of the Rb2Nd2Ti3O10 oxide and its derivatives and the degree of rubidium substitution by protons for the obtained protonated phases are determined.
Quantum Chemical Calculation of Molecular Structures of Al2Fe2 and Al2FeCo Tetranuclear Metalloclusters
Abstract
Using the hybrid density functional method (DFT) of the OPBE/TZVP approximation in the Gaussian09 program package, the geometrical parameters of the molecular structures of the tetranuclear aluminum–iron and aluminum–iron–cobalt metalloclusters of the Al2Fe2 and Al2FeCo stoichiometric compositions are calculated. It is established that the first cluster can exist in 12 structural modifications and the second cluster in 3 modifications. The values of the bond lengths, and the valence and dihedral (torsion) angles for each of these modifications, are given.
Science and Power
Abstract
“The means by which enlightened rulers and sagacious generals moved and conquered others, that their achievements surpassed the masses, was advance knowledge. Advance knowledge cannot be gained from ghosts and spirits, inferred from phenomena, or projected from the measures of heaven, but must be gained from men, for it is the knowledge of the enemy’s true situation.”
Sun Tze, Bing Fa, 13 (perhaps 500 BC).
“Nam et ipsa scientia potestas est.” [For knowledge itself is power]
Francis Bacon (1561–1626) (Religious Meditations—Of Heresies).
“I am selling what the whole world wants: power.”
Matthew Boulton (1711–1780) (Letter to Catherine the Great of Russia, offering steam engines for sale).
“Modern industry has established the World Market.”
Karl Marx and Friedrich Engels, (The Communist Manifesto, 1848).
“The fundamental concept in social science is Power, in the same sense in which Energy is the fundamental concept in physics.”
Bertrand Russell (1872–1970) (“Power: A New Social Analysis,” 1938)
Short Communications
Polymer Structures with the Topology of Triply Periodic Minimal Surfaces
Abstract
Using 3D printing, plastic products with the topology of triply periodic minimal surfaces (TPMS) are prepared and their mechanical properties are studied. It is shown that the strength of the products is sufficient to apply them as sandwich panels and they have promising prospects as anechoic platings.
Thermal Behavior of Howlite, Ca2B5SiO9(OH)5
Abstract
The thermal behavior of natural borosilicate howlite, Ca2B5SiO9(OH)5, is studied by the methods of high-temperature X-ray diffraction and differential thermal analysis in the temperature range of 30–1100°C. The thermal expansion is anisotropic (αmax/αmin = 3.6); the degree of anisotropy increases (αmax/αmin = 4.3) with a temperature increase up to 480°C (360–480°C).
Kinetics of Hydrolytic Polycondensation of Silicon Dioxide in the SrO–B2O3–SiO2 Systems
Abstract
The kinetics of polycondensation in solutions during the liquid-phase synthesis of ceramic material precursors based on a SrO–B2O3–SiO2 system are studied by spectrophotometry. The ratio between the quantitative content of tetraethoxysilane and the reaction rate of the formation of polymer forms is proved.
Tendency of Chalcogenide Glass toward Glass Formation due to Polymorphism of Its Constituent Elements
Abstract
The relationship between the number of polymorphic modifications of simple compounds comprising the chalcogenide systems and a tendency toward glass formation in the system is investigated. The interrelation between the sizes of glass formation areas and the number of polymorphic modifications is analyzed.