Materials Literature
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We report conventional ab initio and B3LYP/DFT calculations for the static electric (hyper)polarizability of small CdS clusters. Our results indicate a strong reduction of the (per atom) mean dipole polarizability with size, supporting the recent LDA findings by Troparevsky and Chelicowsky [ J. Chem. Phys . 2001, 114,…
Abstract 2,2′,3,3′‐Oxydiphthalic dianhydride (2,2′,3,3′‐ODPA) and 2,3,3′,4′‐ODPA were synthesized from 3‐chlorophthalic anhydride with 2,3‐xylenol and 3,4‐xylenol, respectively. Their structures were determined via single‐crystal X‐ray diffraction. A series of polyimides derived from isomeric ODPAs with several diamin…
Abstract Theoretical predictions of room‐temperature ferromagnetism in Mn‐doped GaN and other wide band gap semiconductors suggest that these materials might be useful for spintronic applications. In this short review, we summarize recent observations on the gap states of GaN:Mn, which make it impossible that the two…
A perturbative approach for surface-plasmon-related effects encountered in metallo dielectric interfaces that incorporate periodic subwavelength defects with arbitrary shapes or materials is presented. It provides a simple insight into the physics of some important optical properties of these interfaces. We apply this…
We have developed a mathematical model to track facets appearing and disappearing during the evolution of crystal shape. The model also gives the crystal shape at steady state that is consistent with the predictions from the Wulff-Chernov approach (Chernov, A. A. Sov. Phys. Crystallogr. 1963, 7, 728). We show that und…
We use videomicroscopy to follow the phase-space trajectory of a two-dimensional colloidal model liquid and calculate three-point correlation functions from the measured particle configurations. Approaching the fluid-solid transition by increasing the strength of the pair-interaction potential, one observes the gradua…
The molecular mobility of amorphous anhydrous trehalose (C 12 H 22 O 11 ) was investigated by means of temperature-modulated differential scanning calorimetry (TMDSC) and dielectric analysis (DEA). TMDSC was used to perform a specific heat spectroscopy, which appeared essential, as dielectric measurements above T g we…
We report on a spectroscopic study of electronic energy transfer from excitons confined in silicon nanocrystals to triplet ground-state oxygen molecules, being either physisorbed on the nanocrystal surface or present in the gas phase. The broad photoluminescence spectrum of the nanocrystal assembly probes the transfer…
To isolate the factors that control the structure of nanocomposite thin films, we develop a computational model and scaling theory to investigate the behavior of diblock/nanoparticle mixtures that are confined between two hard walls. We find that in such restricted geometries a polymer-induced depletion attraction dri…
An exceptionally large axial electrostrictive deformation is demonstrated in single walled carbon nanotubes using Hartree-Fock and density functional quantum mechanics simulations. Armchair and zigzag open-ended tubes and capped tubes are studied and in all of them the external electric field induced axial strains can…
Nanoscale propeller-shaped conjugated molecules based on a central triphenylbenzene core bearing three oligomeric phenylene−vinylene branches having either electron-donating or electron-withdrawing peripheral groups have been synthesized. These octupolar derivatives show definite solvatochromic behavior (in absorption…
We have looked into an experiment that has been termed the "canonical example" of jamming: granular material, clogging the outlet of a container as it is discharged by gravity. We present quantitative data of such an experiment. The experimental control parameter is the ratio between the radius of the orifice and the…
Abstract An experimental polypropylene (PP) nanocomposite, containing approximately 4 wt % of an organophilic montmorillonite clay, was prepared and characterized, and its properties were compared with those of talc‐filled (20–40 wt %) compositions. Weight reduction, with maintained or even improved flexural and tensi…
A rather simple method is used to detect at once both optical absorption spectra and excited-states nonradiative transitions in 0,03 at ${%}$ and 0,16 at ${%}$ ruby at temperature 2 K. The technique utilizes a time-resolved bolometer detection of phonons, generated by the excited-state nonradiative relaxation followin…
A theoretical model is proposed for low temperature friction between two smooth rigid solid surfaces separated by lubricant molecules, admitting their deformations and rotations. Appearance of different modes of energy dissipation (by ''rocking'' or ''rolling'' of lubricants) at slow relative displacement of the surfa…
We examine the dephasing rate of a Josephson charge qubit system due to background charge fluctuations. We consider single qubit and two-charge traps. The transition probability was controlled to a state where two traps were occupied. The transition probability was affected by the Coulomb blockade effect that occurs b…
The susceptibility of starch-based biomaterials to enzymatic degradation by amylolytic enzymes (glucoamylase and alpha-amylase) was investigated by means of incubating the materials with a buffer solution, containing enzymes at different concentrations and combinations, at 37 degrees C for 6 weeks. Two polymeric blend…
An adiabatic approach is developed for the problem of boundary friction between two atomically smooth and incommensurate solid surfaces, separated by a monolayer of lubricant atoms. This method permits to consider very slow macroscopic motion of the parts in contact, separately from fast thermic motions of individual…
We present micromagnetic results for the hysterisis of a single magnetic nanopillar which is misaligned with respect to the applied magnetic field. We provide results for both a one dimensional stack of magnetic rotors and of full micromagnetic simulations. The results are compared to the Stoner-Wohlfarth model.
For one-dimensional many-body systems interacting via the \textit{Coulomb force} and with \textit{arbitrary} external potential energy, we derive (\textit{i}) the \textit{node coalescence condition} for the wave function. This condition rigorously proves the following: (\textit{ii}) that the particles satisfy \textit{…