Materials Literature
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The design of biomaterials containing specific ligands on the surface offers the possibility of creating materials that can interact with and potentially control mammalian cell behavior. Biodegradable materials further provide the significant advantage that the polymer will disappear in vivo, obviating long-term negat…
Based on ab initio quantum-chemical methods, accurate calculations on small boron clusters ${\mathrm{B}}_{\mathrm{n}}$ (n=2--14) were carried out to determine their electronic and geometric structures. The geometry optimization with a linear search of local minima on the potential-energy surface was performed using an…
Aluminum doped zinc oxide (AZO) films are prepared by rf magnetron sputtering on glass or Si substrates using specifically designed ZnO targets containing different amount of Al2O3 powder as the Al doping source. The structural, electrical, and optical properties of the AZO films are investigated in terms of the prepa…
We study the luminescence of surface modified CdSe nanocrystallites. There has been much speculation as to the origin of the band edge emission in these quantum confined structures. Because of their large surface to volume ratios it has been suggested that the emission originates from surface-related states. However,…
In this article the supermolecular structure and mechanical properties of poly(acrylonitrile-acrylamide-acrylic acid)/poly(vinyl alcohol) [P(AN-AM-AA)/PVA] intermacromolecular complex formed through hydrogen bonding were studied by means of SEM, TEM, and mechanical property testing. The experimental results show that…
This article highlights chemical modifications like alkali treatment, dinitrophenylation, benzoylation, and benzoylation-acetylation carried out on an pineapple agrowaste leaf fiber (PALF). The parent and chemically modified PALF were characterized by FTIR spectra, pH measurement, and detection of nitrogen. The percen…
Natural rubber (NR) was blended in various ratios with 17 kinds of tackifiers, which were prepared from rosin and terpenes. The blends were heated to various temperatures (20–120°C) in order to investigate their miscibility. The blends were visually observed for transparency or opacity at each temperature and further…
In this article, nature derived collagen was mixed with chitosan and crosslinked by formaldehyde to form a homogeneous composite membrane. The microstructure of the composite was characterized by transmission electron microscopy and differential scanning calorimetry. Mechanical and swelling properties of the composite…
A coaxial nozzle was developed to achieve further control over the morphology of microparticles precipitated from solution by carbon dioxide as a compressed fluid antisolvent. The polymer solution was sprayed through the core of the nozzle and CO2 through the annulus. For the coaxial nozzle versus a standard nozzle, p…
Extensional, flow-induced crystallization (FIC) of a high-density polyethylene (HDPE) melt has been studied using a four-roll mill flow cell. Simultaneous measurement of the birefringence and scattering dichroism are used to quantify the crystallization process during and following transient flow deformation in planar…
We derive a continuum equation for the magnetization of a conducting ferromagnet in the presence of a spin-polarized current. Current effects enter in the form of a topological term in the Landau-Lifshitz equation . In the stationary situation the problem maps onto the motion of a classical charged particle in the fie…
The fracture and failure mode of α- and β-isotactic polypropylene (α-iPP and β-iPP, respectively) were studied in high speed (1 m/s) three-point bending tests on notched bars cut from injection-molded dumbbell specimens and compared. The fracture response of the notched Charpy-type specimens at room temperature (RT) a…
A new approach to chemical bonding is introduced in order to provide an improved understanding of the connection between basic quantum mechanics and the covalent pair bond. It's focus is on the fact that the energy of the bond is largely given by the kinetic energy of the electrons, while the Coulomb forces are only c…
Montmorillonite was organically modified with distearyldimethylammonium chloride. This organically modified clay (OMON) and poly (ϵ-caprolactone) (PCL) were solvent-cast blended with chloroform, and the structure and properties of the resulting PCL-clay blends were investigated. From isothermal crystallization experim…
The structure of the $(\sqrt{31}\times \sqrt{31})R\pm9^\circ$ reconstructed phase on sapphire (0001) surface is investigated by means of a simulation based on the energy minimization. The interaction between Al adatoms is described with the semi-empirical many-body Sutton-Chen potential, corrected for the charge trans…
Correlated ab-initio ground-state calculations, using relativistic energy-consistent pseudopotentials, are performed for six II-VI semiconductors. Valence ($ns,np$) correlations are evaluated using the coupled cluster approach with single and double excitations. An incremental scheme is applied based on correlation co…
The free energies of vacancy pair formation and migration in MgO were computed via molecular dynamics using free-energy integrations and a non-empirical ionic model with no adjustable parameters. The intrinsic diffusion constant for MgO was obtained at pressures from 0 to 140 GPa and temperatures from 1000 to 5000 K.…
This book deals with the electron density distribution in molecules and solids as obtained experimentally by X-ray diffraction. It is a comprehensive treatment of the methods involved, and the interpretation of the experimental results in terms of chemical bonding and intermolecular interactions. Inorganic and organic…
We have developed methods for obtaining and characterizing three-dimensional maps of the reciprocal-space distribution of diffuse x-ray scattering from protein crystals, and have used the methods to study the nature of disorder in crystals of Staphylococcal nuclease. Experimentally obtained maps are 99.5% complete in…
The characterization of protein-folding kinetics with increasing chain length under various thermodynamic conditions is addressed using the capillarity picture in which distinct spatial regions of the protein are imagined to be folded or trapped and separated by interfaces. The quantitative capillarity theory is based…