Materials Literature
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This is a multinanosecond molecular dynamics study of a bio-nano complex formed by a carbon nanoparticle, a buckyball C(60), and a biological molecule, an antibody, with high binding affinity and specificity. In the simulation, the ball is completely desolvated by the binding site of the antibody by means of a nearly…
Abstract Three different biodegradable polyesters, namely, polycaprolactone (PCL), polybutylene succinate (BIONOLLE), and a copolyester of adipic acid, terephthalic acid, and 1,4‐butanediol (EASTAR) were melt‐blended using a twin‐screw extruder. The percentage composition of each of the aforementioned polymers was var…
The spin transition between the paramagnetic high-spin (HS) and low-spin (LS) electronic states of ${\mathrm{Co}}^{\mathrm{II}}{(\mathrm{H}}_{2}{(\mathrm{fsa})}_{2}{\mathrm{e}\mathrm{n})(\mathrm{py})}_{2},$ $[{\mathrm{H}}_{2}{(\mathrm{fsa})}_{2}{\mathrm{e}\mathrm{n}=\mathrm{N},\mathrm{N}}^{\ensuremath{'}}$-ethylene bi…
Effects of added surfactants in the acidic hypophosphite plating baths on the properties of the resulting electroless nickel−phosphorus (Ni−P) deposits on the brass substrates were studied. The surface appearance and microstructures were examined under a reflective optical microscope and a scanning electron microscope…
Tessellation of nine free-base porphyrins into a 3 x 3 array is accomplished by the self-assembly of 21 molecular entities of four different kinds, one central, four corner, and four side porphyrins with 12 trans Pd(II) complexes, by specifically designed and targeted intermolecular interactions. Strikingly, the self-…
We describe the second of two large-scale atomic simulation projects on materials failure performed on the 12-teraflop ASCI (Accelerated Strategic Computing Initiative) White computer at the Lawrence Livermore National Laboratory. This investigation simulates ductile failure by using more than one billion atoms where…
The current methods of synthesis and investigation of carbon nanotubes are reviewed. The interconnection between structural peculiarities and electronic characteristics of carbon nanotubes has been studied. The recently developed methods of growth of similar nanotubes with pre-assigned characteristics are described. T…
Rosette nanotubes are a new class of organic nanotubes obtained through the hierarchical self-assembly of low molecular weight synthetic modules in water. Here we demonstrate that these materials can serve as scaffolds for the supramolecular synthesis of multichannel nanotubular architectures and report on the discove…
Despite its remarkable materials properties, the structure of spider dragline silk has remained unsolved. Results from two probe microscopy techniques provide new insights into the structure of spider dragline silk. A soluble synthetic protein from dragline silk spontaneously forms nanofibers, as observed by atomic fo…
The distribution of poly(acrylic acid) in a microporous polypropylene support membrane has been measured quantitatively by scanning transmission X-ray microscopy (STXM). Singular value decomposition analysis of X-ray microscopy images recorded at carefully selected photon energies was used to obtain quantitative maps…
An analysis of the dynamic dielectric and electro-optic relaxation response of thin film ferroelectrics is presented. The analysis is based upon the relaxation of ferroelectric domains with a continuous distribution of sizes given by percolation theory. The resulting temporal response is described by the expression (t…
Organic templates of meso- and macro-porous siliceous materials can be completely removed within minutes by microwave digestion, resulting in highly ordered inorganic frameworks with higher surface areas, larger pore volumes, lower structural shrinkage and richer silanol groups compared with those from conventional te…
Heterogeneous three-dimensional mesoporous networks (A. J. Ramírez-Cuesta, S. Cordero, F. Rojas, R. J. Faccio and J. L. Riccardo, J. Porous Mater., 2001, 8, 61, ) constructed under the premises of the dual site–bond model have been used as probe substrates to study the effects of variable connectivity and pore-size co…
We have used computer simulation to study the collapse of a hydrophobic chain in water. We find that the mechanism of collapse is much like that of a first-order phase transition. The evaporation of water in the vicinity of the polymer provides the driving force for collapse, and the rate limiting step is the nucleati…
The distribution of properties within ensembles of colloidally grown II-VI and III-V semiconductor nanocrystals was studied. A drastic difference in the photoluminescence efficiencies of size-selected fractions was observed for both organometallically prepared CdSe and InAs colloids and for CdTe nanocrystals synthesiz…
Six new complexes of the Schiff base ligand (HL) derived from benzoin and cysteine with Ln=La(III), Pr(III), Nd(III), Sm(III), Eu(III) and Gd(III) of the type LnLCl2(H2O)2 have been synthesized and characterized by elemental analyses, molar conductance, XPS, IR, thermal analysis, 1H NMR and electronic spectra.
The third-order static field-cooled nonlinear dielectric permittivity in relaxor ferroelectric PbMg1/3Nb2/3O3 has been measured as a function of temperature. It is shown that the observed behavior can be explained by a mechanism of nonlinear response within the framework of the spherical random bond-random field model.
We have grown Mn δ-doped GaAs layers on GaAs(001) substrates by molecular beam epitaxy. Secondary ion mass spectroscopy and transmission electron microscopy revealed that Mn dopants were abruptly confined. The doping profiles still retained abruptness even at elevated growth temperature up to 400 °C. Mn δ-doped GaAs s…
For the ballistic quantum transport, the conductance of each channel is quantized to a value of ${2e}^{2}/h.$ In the presence of defects, electrons will be scattered such that the conductance will deviate from the values of the quantized conductance. We show that an antiresonance scattering can occur when an extra def…
The electronic structure, selected phonon frequencies, and electron phonon coupling of the hexagonal layered compounds ${\mathrm{Nb}}_{2}\mathrm{CS},$ ${\mathrm{Nb}}_{2}\mathrm{CAs},$ and ${\mathrm{V}}_{2}\mathrm{CAs}$ are elucidated using density functional calculations. All materials are good three-dimensional metal…