Materials Literature
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A new empirical interatomic potential of the embedded atom type is developed for the Fe-Cu system. The potential for the alloy system was constructed to reproduce known physical parameters of the alloy, such as the heat of solution of Cu in Fe and the binding energy of a vacancy and a Cu atom in the matrix. The potent…
Sonochemistry, or the application of power ultrasound to chemical processes, is a technology that has undergone very intensive research and development in the last 15−20 years, with respect to both its range of application and the methods employed for its implementation at industrial manufacturing scales. In a series…
The scattering of ultrasound from bubbles of micrometer-sized radius, such as used in contrast enhancers for ultrasound diagnostics, is studied. We show that sound scattering and ``active'' emission of sound from oscillating bubbles are not contradictory, but are just two different aspects derived from the same physic…
Carbon nanotube science is a new exciting subject for all the carbon community. We now have in hand 1D graphite prototypes opening a new field for basic research and increasing the technological potential of traditional carbon fibers. In addition to many open fundamental questions, one of the main difficulties resides…
A molecular dynamics simulation of water confined in a silica pore is performed in order to compare it with recent experimental results on water confined in porous Vycor glass at room temperature. A cylindrical pore of 40 Å is created inside a vitreous SiO2 cell, obtained by computer simulation. The resulting cavity o…
An ordered organo-silica-surfactant mesophase containing a covalently-linked chromophore was synthesized with MCM-41-type architecture by template-directed co-condensation of tetraethoxysilane and 3-(2,4-dinitrophenylamino)propyl(triethoxy)silane: a dye-functionalized mesoporous silica with hexagonal order was produce…
Multilayer formation between organic dyes and polyions is complicated by the possible competition between dye extraction from the surface by the polymer solution instead of polymer adsorption. We study the effects of salt concentration (NaCl, Na 2 SO 4, MgCl 2, and MgSO 4 ) on this process and note that significant fr…
Raman spectra of the following rare earth halide–alkali halide binary molten salt systems have been measured: LnBr3–KBr (Ln=La, Nd, Gd) and NdCl3–ACl (A=Li, Na, K, Cs). The complete composition range has been studied at temperatures up to 850°C. The spectral changes occurring upon melting the elpasolite compounds Cs2N…
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The atomistic structure of an extensive set of ceria surfaces are predicted using four different inter-atomic potential models. The dependence of the results on the parameters is discussed in detail. For example, we find that while absolute surface energies vary considerably, relative energies do not. As such, an octa…
Composites formulated from pH-sensitive colour formers mixed with fatty acid co-solvents and acidic developers have been prepared and their thermochromic properties investigated. Possible explanations for the thermochromic effect have been considered and evidence is presented in support of a mechanism based on phase c…
New ladder-type chromophores, the quaterrylenebis(dicarboxdiimide)s 2, 18 and 23, have been synthesised which, despite their extended π-system, exhibit good solubility in organic solvents and film forming properties when adequately substituted. These unprecedented dyes, which absorb and even emit light in the NIR wind…
In this paper it is demonstrated that colloidal assemblies used as templates are good candidates for controlling the size and shape of nanoparticles. The optical properties of metal nanoparticles dispersed in a colloidal solution differ with size and shape. When these particles are able to self-assemble, they form mon…
Abstract A first-order phase transition of CsSnCl3 to a cubic perovskite phase was observed at Ttr = 379 K. The electric conductivity increased from 10−6 S cm−1 to 10−3 S cm−1 at the phase transition. The temperature dependence of the electric conductivity and the X-ray diffraction data for CsSnCl3 suggested a reconst…
Upconversion fluorescence emission of Er3+/Yb3+-doped Bi2O3–Na2O–Nb2O5–GeO2 heavy metal glass samples excited at 1.06 μm is experimentally investigated. The results reveal the existence of intense emission bands centered around 520, 545, and 655 nm. The germano-niobate based host glass presents high transparency in th…
A combination of neutron powder diffraction and computer simulation techniques was performed on undoped and doped Bi2WO6 Aurivillius type compounds to clarify some of the factors controlling oxygen transport in these materials. Oxygen vacancies in doped compounds are randomly distributed within the perovskite-like sla…
A detailed review of inorganic lyotropic liquid crystals (water or water–organic dispersions of certain non-organic substances) is presented. The history of the discovery of these mesophases is described and their classification is considered. The structure and properties of all liquid crystals of this class known to…
We present a simple computational method to connect the computed ab initio values of static dipole polarizabilities and hyperpolarizabilities of molecules in solution with their experimental counterparts. The connection is done in terms of local field factors. We show that formulas used by experimentalists are not ade…
Laser-induced chemical vapor deposition of silicon carbonitride thin films has been investigated using a continuous wave CO2 laser in parallel configuration with the substrate. The reactant gases in this process, hexamethyl disilazane and ammonia, are rapidly heated by CO2 laser radiation due to their absorption of th…
The investigation of nanocrystalline materials has been an extremely active field during the past two decades as it promises to yield new and exciting properties, which will both test the scientific understanding of the behaviour of materials in general, and offer new scope for applications. While considerable progres…