Materials Literature
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The effect of surface roughness on the structure of liquid crystalline fluids near solid substrates is studied by Monte Carlo simulations. The liquid crystal is modelled as a fluid of soft ellipsoidal molecules and the substrate is modelled as a hard wall that excludes the centres of mass of the fluid molecules. Surfa…
We have calculated band-edge energies for most combinations of zincblende AlN, GaN, InN, GaP, GaAs, InP, InAs, GaSb and InSb in which one material is strained to the other. Calculations were done for three different geometries, quantum wells, wires, and dots, and mean effective masses were computed in order to estimat…
We review recent molecular dynamics simulations of thermally activated undulations and defects in the lamellar $L_α$ phase of a binary amphiphile-solvent mixture, using an idealized molecular coarse-grained model: Solvent particles are represented by beads, and amphiphiles by bead-and-spring tetramers. We find that ou…
We investigate pores in fluid membranes by molecular dynamics simulations of an amphiphile-solvent mixture, using a molecular coarse-grained model. The amphiphilic membranes self-assemble into a lamellar stack of amphiphilic bilayers separated by solvent layers. We focus on the particular case of tension less membrane…
The structures and symmetries of single-walled carbon nanotubes (SWNTs) are introduced in detail. The physical properties of SWNTs induced by their symmetries can be described by tensors in mathematical point of view. It is found that there are 2, 4, and 5 different parameters in the second, third, and fourth rank ten…
This study prepared (1−x)BaTiO3–xCaTiO3 (x=0.20–1.0) ceramics. Their structural and electric properties were analyzed. High electrostrictive strain of 0.22%, higher by 157% as compared to BaTiO3 ceramic, was obtained near the solubility limit in the side of composite (x=0.23), which is a diphasic ceramic composed of a…
ADVERTISEMENT RETURN TO ISSUEPREVNotePhysicochemical Characterizations of Self-Assembled Nanoparticles of Glycol Chitosan−Deoxycholic Acid ConjugatesKwangmeyung Kim, Seunglee Kwon, Jae Hyung Park, Hesson Chung, Seo Young Jeong, Ick Chan Kwon, and In-San KimView Author Information Biomedical Research Center, Korea Inst…
We review various methods to investigate the statics and the dynamics of collective composition fluctuations in dense polymer mixtures within fluctuating-field approaches. The central idea of fluctuating-field theories is to rewrite the partition function of the interacting multi-chain systems in terms of integrals ov…
Using the plane wave pseudopotential method within the density functional theory with the generalized gradient approximation for exchange and correlation potential, we have calculated adsorption energies (Ead), diffusion barriers and the first dissociation barriers (E1) for NH3 on the Ni(111), Pd(111) and Ni(211) surf…
The electronic structure around a single As antisite in GaAs is investigated in bulk and near the surface both in the stable and the metastable atomic configurations. The most characteristic electronic structures of As antisite is the existence of the localized p-orbitals extending from the As antisite. The major comp…
Nitrogen-doped films of ZnO grown by two methods, metalorganic chemical vapor deposition (MOCVD) and reactive sputtering, were studied with x-ray and ultraviolet photoelectron spectroscopy (XPS and UPS). Systematic differences in the N chemical states were observed between films grown by sputtering and MOCVD: only two…
Abstract Amorphous poly(ester‐urethane)s (PEUs) were synthesized by reacting polyoxalate diols (PODs), which are oligoester diols prepared from condensation polymerization of dimethyl oxalate (DMO) and alkane diols, with 4, 4′‐diphenylmethane diisocyanate (MDI) and propylene diamine (PDA), a chain extender. Their stru…
Abstract The initial stages of growth of the lamellar phase in a block copolymer solution were observed with polarizing optical microscopy (POM). Measurements were made on a poly(styrene‐ b ‐isoprene) diblock copolymer with block molecular weights of 15 and 13 kg/mol, respectively, dissolved in dioctyl phthalate with…
We perform field-effect experiments on side-gate devices made of underdoped ${\mathrm{La}}_{0.7}{\mathrm{Sr}}_{0.3}\mathrm{Mn}{\mathrm{O}}_{3\ensuremath{-}\ensuremath{\delta}}$ epitaxial thin films. The resistance modulation is small due to the high carrier concentration in this compound; however, it is significantly…
Abstract Blown films of different types of polyethylenes, such as branched low‐density polyethylene (LDPE) and linear high‐density polyethylene (HDPE), are well known to tear easily along particular directions: along the film bubble's transverse direction for LDPE and along the machine direction (MD) for HDPE. Dependi…
The electroabsorption (EA) spectra of directly meso-meso-linked porphyrin arrays (Zn, n = 1-3) have been investigated by means of the sum-over-states (SOS) approach at the INDO/S-SCI level theory. The experimental EA spectra of Zn (n > or = 2) exhibit an unusual second-derivative line shape at the exciton split low-en…
Abstract The temperature‐dependent behavior of individual components within metallocene‐catalyzed semisyndiotactic polypropylenes (semi‐sPP) with a wide range of stereoregular content (26 to 96% rr ) is studied using Fourier transform infrared (FTIR) spectroscopy and temperature‐modulated differential scanning calorim…
Abstract The influence of the morphology on the mechanical properties of binary styrene–butadiene (SB) triblock copolymer blends of a thermoplastic block copolymer and a thermoplastic elastomer (TPE) with different molecular architectures was studied with bulk samples prepared from toluene. Both block copolymers conta…
Poly(silylene- p -phenylene)s bearing an anthrylethynyl, pyrenylethynyl, or terthienyl group as the pendant were obtained in moderate yield, by substitution reactions of poly[ethoxy(methyl)silylene- p -phenylene] with the corresponding organolithium reagents in THF. The polymers exhibited photoluminescent (PL) propert…
We have developed a thermodynamic model of the catalytic growth of multiwall carbon nanotubes from hydrocarbon precursors at elevated temperature. Using this model we have computed the heat distribution and carbon concentration in the catalyst. Calculations delivered an analytical formula for the growth time and growt…