Materials Literature
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The relative configurational entropy per cell as a function of length scale is a sensitive detector of spatial self-similarity. For Sierpinski carpets the equally separated peaks of the above function appear at the length scales that depend on the kind of the carpet. These peaks point to the presence of self-similarit…
CdTe nanocrystals capped with 1-mercapto-2,3-propandiol, CdSe nanocrystals capped with sodium citrate, and core−shell CdSe/CdS nanocrystals capped with sodium citrate were synthesized in aqueous solutions, and their surface was modified by 3-mercaptopropyltrimethoxysilane (MPS) in water−ethanol mixtures. By addition o…
This book covers the experimental and theoretical understanding of surface and thin film processes. It presents a unique description of surface processes in adsorption and crystal growth, including bonding in metals and semiconductors. Emphasis is placed on the strong link between science and technology in the descrip…
Este trabajo está dedicado al proceso de aleación mecánica como método de obtención de polvos. En él se repasan los aspectos más importantes implicados en el proceso, los fundamentos, así como su aplicación particular a la obtención de polvos metálicos.
The thermal behavior of a self-assembled silver alkanethiolate layered material (AgSC n, n = 12) has been explored using two spectroscopic techniques: 13 C CPMAS NMR ( 13 C cross-polarization magic angle spinning NMR) and FTIR (Fourier transform infrared) spectroscopy. The goal was to correlate structural changes moni…
The objective of this work was to apply the oxidative test Rancimat to dried microencapsulated oils (DMO), with special emphasis on assessing the efficacy of natural antioxidants. DMO were prepared by freeze-drying emulsions containing sodium caseinate, lactose and fish or sunflower oils, with and without added the an…
V-loaded anatase materials with V/Ti molar ratios in the range 0.02−0.06 have been prepared by a sol−gel procedure under inert atmosphere. Combining macroscopic (XRD, TEM, and BET) and spectroscopic (XPS, Raman, ESR, and 51 V NMR) techniques, we show that most of the V species are incorporated within the anatase bulk…
The deformation of a single crystal of aluminium in the Goss orientation {011}⟨100⟩ containing a coarse particle of silicon was modelled by using a finite-element (FE) code based on the crystal plasticity approach. The simulations clearly captured the heterogeneous deformation of the aluminium matrix, resulting in a r…
The thionylphosphazene cation [NSO(NPCl 2 ) 2 ] + is a proposed intermediate in the thermal ring-opening polymerization of the cyclic thionylphosphazene NSOCl(NPCl 2 ) 2 ( 1 ) at 165 °C. The attempted generation of [NSO(NPCl 2 ) 2 ] + via halide abstraction from 1 with a variety of Lewis acids has been studied and the…
Nonlocal DFT provides an excellent description of the structural and conformational properties of metallohydroporphyrins and related complexes. The Ni(II) complexes are found to be strongly ruffled and the Zn(II) complexes planar, consistent with experimental results. The increased flexibility of the novel chlorophin,…
In a previous paper, it was shown that the functional polysaccharide kappa-carrageenan acts as an efficient stabilizer to prevent the precipitation of iron oxides and hydroxides up to very high pH values (Jones, et al. Colloid Polym. Sci. 2000, 278, 491-501). Here, this process was investigated for its application to…
The high-performance mechanical properties of certain spider silks can be radically altered by the addition of water. For example, unconstrained silk fibers from the major ampullate gland of the golden orb-weaving spider, Nephila clavipes, contract to about half of their original length when immersed in water. In this…
Nucleation on top of two-dimensional islands with step edge barriers is investigated using scaling arguments. The nucleation rate is expressed in terms of three basic time scales: The time interval between deposition events, the residence time of atoms on the island, and the encounter time required for $i^\ast + 1$ at…
Amorphous silicon carbonitride (a-SiCN) films were synthesized by ion enhanced radio-frequency (rf) magnetron sputtering from a Si 4 C target using a mixture of Ar and N 2 gases. The oxidation resistance of the films was investigated in an oxygen atmosphere over the temperature range of 0-1000 °C. X-ray photoelectron…
This paper concentrates on a comparison of Al 3p occupied densities of states in crystalline and quasicrystalline Al-Cu-Fe intermetallics. This comparison is made quantitative by computing the two first moments of this partial distribution, which correspond to the partial contribution of Al atoms to the cohesive energ…
We present the results of a computational study of the low-energy dynamics of silica glass. Molecular dynamics simulation results show that parts of the glass structure can undergo large cooperative reorientations of SiO 4 tetrahedra. These motions involve reorientations of about 30 tetrahedra with an energy barrier o…
The structure of liquid sulphur at 400 K, below the polymerization temperature T p = 432 K, is investigated by first-principles molecular-dynamics simulations. The calculated structure factor is in excellent agreement with the experimental data. To investigate the microscopic mechanism of the photo-induced structural…
A transition as a function of increasing temperature from harmonic to anharmonic dynamics has been observed in globular proteins by using spectroscopic, scattering, and computer simulation techniques. We present here results of a dynamic neutron scattering analysis of the solvent dependence of the picosecond-time scal…
A correlation between precise x-ray powder diffraction patterns and atomic size mismatch in disordered mixed crystals (alloys and ionic crystals) is observed. The anisotropy of the elastic moduli has been taken into account for evaluation of the strain energy density of the mixed crystals revealed in x-ray powder diff…
The linear electro-optic (EO) coefficients of Pb(Zn1/3Nb2/3)O3–PbTiO3 single crystals over a broad composition range were investigated at temperatures from −20 to 80 °C. The orientation effect on the EO coefficients was also examined. For crystals poled in the 〈001〉 direction, a large r33 was observed near the morphot…