Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
Discontinuous molecular dynamics simulation is used to study the phase behavior of diblock copolymers modeled as chains of tangent hard spheres with square shoulder repulsions between unlike species as a function of chain length, volume fraction and interaction strength (χ). The location of the order–disorder transiti…
We have carried out atomistic molecular dynamics simulations of a melt of 1,4-poly(butadiene) from temperatures well above the experimentally observed merging of the primary α process and secondary β process down to temperatures approaching the experimentally observed bifurcation temperature. The relaxation strength a…
Amphiphilic cadmium selenide (CdSe) nanoparticles were prepared by surface functionalization with novel ligands 1 and 2, composed of pyridine moieties substituted in the 4-position with polyethylene glycol (PEG) chains.
A study of a rigid fully flexible fused hard sphere model [C. McBride, C. Vega, and L. G. MacDowell, Phys. Rev. E 64, 011703 (2001)] is extended to the smectic and solid branches of the phase diagram. Computer simulations have been performed for a completely rigid model composed of 15 fused hard spheres (15+0), a mode…
The deposition−precipitation (DP) method, which was extensively developed for the preparation of Ni/SiO 2, is applied here to the preparation of Ni/Hβ zeolite catalysts. The Ni/Hβ samples prepared at different deposition−precipitation times (1−4 h) were characterized by BET, XRD, TPR, FTIR, SEM, and TEM. The results i…
Spray pyrolysis was used to deposit thin films of Ba2B5O9Cl:Eu from aqueous solutions containing Eu3+. Blue cathodoluminescence due to the abnormal reduction of Eu3+→Eu2+ in as-grown thin films was observed at the growth temperatures from 140 °C to 500 °C. Significant line narrowing was found as the growth temperature…
This letter reports a study of the porosity effect on material properties of methylsilsesquioxane films, including the dielectric constant, thermal conductivity, and thermal stress behavior. In a porosity range from 0% to 50%, both the dielectric constant and thermal conductivity decreased with increasing porosity and…
We report on the direct evidence in real space of the crystal−amorphous interphase in a lamellar semicrystalline polymer, poly(ethylene terephthalate) (PET). This evidence was obtained by the TEM observation of the compositional variation of (stained) PET segments in the boundary of an isolated lamellar stack in a bin…
Silicon nanocrystals in SiO2 matrix are fabricated by plasma enhanced chemical vapor deposition followed by thermal annealing. The structure and photoluminescence (PL) of the resulting films is investigated as a function of deposition temperature. Drastic improvement of PL efficiency up to 12% is achieved when the dep…
The first carbosilane dendrimer with peripheral bent-core mesogenic units is reported. This material forms a liquid crystalline phase which is stable over a wide temperature range and forms an LC glass on cooling. Polarizing microscopy, X-ray diffraction, and dielectric and electrooptic investigations reveal the prese…
[reaction: see text] We have developed a new method that affords regioisomerically pure corroles possessing up to three different substituents at the meso positions. The corrole formation reaction involves the acid-catalyzed condensation of a dipyrromethane-dicarbinol with pyrrole followed by oxidation with DDQ. ABC-T…
This study reports a hcp→fcc polymorphic transformation in elemental zirconium induced by mechanical attrition in a planetary ball mill. The transformation is monitored and verified by x-ray and electron diffraction and high-resolution transmission electron microscopy. Grain size decreases and lattice parameter increa…
We have used scanning white beam x-ray microdiffraction to study microstructural evolution during an in situ electromigration experiment on a passivated Al(Cu) test line. The data show plastic deformation and grain rotations occurring under the influence of electromigration, seen as broadening, movement, and splitting…
A series of polyfluorenes containing pendant poly(benzyl ether) dendritic wedges of different generations was synthesized via the macromonomer approach, and then they were characterized by their structures and properties. The dendritic monomers were prepared by coupling benzyl bromide functionalized dendrons with 9,9-…
Motivated by the central importance of charge-induced dimensional changes for carbon nanotube electromechanical actuators, we here predict changes in nanotube length and diameter as a function of charge injection for armchair and zigzag nanotubes having different diameters. Density functional theory with periodic boun…
The basal and prism interfaces formed by ice 1h and water in equilibrium are studied using the rigid SPC/E model of water, in the temperature range of 220–240 K close to one atmosphere. Density, translational, orientational, and dynamic order parameters exhibit smooth, continuous changes from crystal to liquid across…
We report quasielastic neutron scattering experiments exploring the alpha relaxation in polyisoprene over an unprecedented range in momentum transfer. Corroborating and validating earlier molecular dynamics simulations, the measurements reveal a crossover from a Gaussian regime of sublinear diffusion to a strongly non…
A number of silicon phthalocyanine bis-esters have been synthesized and characterized, with axial ligands containing one or more tetrathiafulvalene groups. Variations in the substitution positions around a central aromatic "hinge" within the ligands lead to different molecular geometries, and the fluorescence of the m…
We report on the out-of-plane piezoelectric response (d33), measured via piezoresponse scanning force microscopy, of submicron capacitors fabricated from epitaxial PbZrxTi1−xO3 thin films. Investigations on 1 μm2 and smaller capacitors show that the substrate-induced constraint is dramatically reduced by nanostructuri…
We report the formation of poly(acrylic acid) (sodium salt) (PAA) and poly(allylamine hydrochloride) (PAH) multilayers on polystyrene (PS) and melamine formaldehyde (MF) colloid particles by the layer-by-layer (LbL) assembly technique. The use of different solution processing conditions (e.g., pH and ionic strength) w…