Materials Literature
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We calculate the radiative lifetime and energy bandstructure of excitons in semiconducting carbon nanotubes within a tight-binding approach including the electron-hole correlations via the Bethe-Salpeter equation. In the limit of rapid interband thermalization, the radiative decay rate is maximized at intermediate tem…
The crystallization of macromolecules remains a major bottleneck in structural biology. The routine screening of more than one thousand crystallization conditions and subsequent optimization by fine screening presents a challenge to conventional laboratory notebook keeping. In addition, the development of high-through…
Abstract Hybrid coatings based on organically modified silicate (Ormosil)/ZrO 2 (0–1.0 wt %) and Ormosil/MO 2 (M = Ti or Ce) were synthesized through a sol–gel technique. Tetraethylenepentamine, 3‐glycidoxypropyltrimethoxysilane, tetraethoxysilane, and MO 2 (M = Zr, Ti, or Ce) metallic particle were used as precursors…
The eigenfrequencies of electromechanical vibrations of carbon nanotubes (CNT), rooted in a metallic base and subjected to longitudinal dc and radio frequency (rf) electric field, depend on the amplitudes of the fields. When the driver rf frequency $\ensuremath{\varpi}$ equals the sum of frequencies of two normal mode…
The crystal structure of glipizide, used as a major treatment of type-2 diabetes, has been determined ab initio using variable-temperature laboratory X-ray powder diffraction combined with a direct-space Monte Carlo/simulated annealing methodology. The strengths of the intermolecular interactions (van der Waals, pi-pi…
Based on the structural data of phases alpha (hexagonal; 756-972 K), beta (monoclinic; 605-751 K), gamma (incommensurate, monoclinic; 295 K) and delta (lock-in, monoclinic; 110 K) of sodium carbonate, Na2CO3, we could draw a parallel between the phase transitions and the evolution of the second coordination sphere of…
We present a comprehensive study on the dynamics of laser-induced molecular reorientation in a dye-doped liquid crystalline (LC) medium that exhibits significant enhancement of the optical Kerr nonlinearity due to guest-host interaction. Using various techniques, we separately characterized the dynamical responses of…
Some years ago we proposed an automated reflectometric method to measure the director azimuthal angle at the interface between a nematic liquid crystal and another medium. The method ensures a great accuracy and sensitivity and is virtually unaffected by the presence of a director bulk distortion. This latter property…
Abstract It is well known that some high‐performance phosphite antioxidants are particularly sensitive to hydrolysis. This process has two principal consequences: 1) the creation of potential handling issues, as the product can become sticky, and 2) a possible loss in the performance of this type of antioxidant. In th…
The three most widely used methods for analyzing atomic structures are evaluated by simulating crystalline solids and supercooled liquids. The local order parameter approach due to Volkov [Phys. Rev. E 66, 061401 (2002)] fails in randomly perturbed body-centered-cubic environments, while the pair analysis method behav…
Abstract Science and practice have proven that phthalic acid esters are among the most functional plasticizers for polyvinyl chloride (PVC). The performance properties of phthalic acid esters can be modified for an advantageous cost/benefit position by varying the alcohol moiety of the ester molecule in the practical…
The nanometric structure of porous silicon makes this material very suitable for its use in many different fields, including optoelectronics and biological applications. Porous silicon can be basically described as an amorphous matrix in which silicon nanocrystals are embedded. In the present work, the distribution in…
An exhaustive review on all things algae would require a multi-volume encyclopedic work. Even then, such a tome would prove to be of limited value, as in addition to being quite complex, it would soon be outdated, as the field of phycology is full of continual revelations and new discoveries.Algae: Anatomy, Biochemist…
A series of novel low molecular weight organosiloxane compounds have been investigated using a number of techniques such as: texture, birefringence measurements and dielectric spectroscopy. Some materials under investigation are shown to have a direct transition to de Vries SmA* phase on cooling from the isotropic pha…
The current and field distribution in a 2D metamaterial consisting of resonant elements in a hexagonal arrangement are found assuming magnetic interaction between the elements. The dispersion equation of magnetoinductive (MI) waves is derived with the aid of the direct and reciprocal lattice familiar from solid state…
The $\ensuremath{\alpha}$ and $\ensuremath{\beta}$ modifications of quartz and cristobalite silica have been successfully simulated using molecular dynamics simulations based on a single parametrization of a charge transfer three-body potential. The simulated $\ensuremath{\alpha}$ forms exhibit positive thermal expans…
As part of a structural genomics program, we are determining structures of proteins from the causative agent of anthrax, Bacillus anthracis, a Gram-positive spore-forming bacterium. Among our initial candidates for crystallographic analysis are the products of essential genes based on knock-out studies in Bacillus sub…
Raman backscattering and Fourier transform infrared measurements were performed on undoped and nitrogen-doped ZnO. Two broad vibrational modes near 1414 and 1585cm−1 were found that are attributed to the presence of carbon sp2 clusters. In nitrogen-doped ZnO these modes are enhanced. In addition a broad vibrational mo…
We present a type of thermal interface material by incorporating carbon nanotube arrays into polydimethylsiloxane. Particularly, we evaporated a 1-μm-thick aluminum layer on the top of the raw carbon nanotube array, which served as a heat current collector to decrease the thermal contact resistance. The thermal conduc…
Mesoporous silica phases, with uniform pores of dimensions in the 2-30 nm range, offer a uniquely well-defined environment for the study of the effects of two-dimensional spatial confinement on the properties of glass-forming liquids. We report observations by differential scanning calorimetry of the vitrification of…