Materials Literature
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Novel kinetic models for both Dumbbell-like and rigid-rod likepolymers are derived, based on the probability distribution function$f(t, x, n, \dot n)$ for a polymer molecule positioned at $x$ to beoriented along direction $n$ while embedded in a $\dot n$environment created by inertial effects. It is shown that theprob…
Energetics and dynamical pathways for hydrogen peroxide formation from H(2) and O(2) bound to neutral gold dimers and tetramers have been investigated by applying several strategies: T = 0 K geometry optimizations, constrained Car-Parrinello molecular dynamics simulations at T = 300 K and metadynamics at T = 300 K. Th…
Ethanol can initiate Pt nanoparticles to catalyze the chemiluminescent reaction of alkaline lucigenin solution, leading to a visible light emission with autocatalytic property.
E-configured ethenylene-bridged periodic mesoporous organosilicas with ultra-large mesopores and unprecedented pore volumes have been developed for the first time.
The synthesis of 4'-CN, 5'-CN and 5'-Br substituted pyDTDA neutral radical bidentate ligands is reported (pyDTDA = 4-(2'-pyridyl)-1,2,3,5-dithiadiazolyl). The Ni(hfac)(2) and Mn(hfac)(2) coordination complexes of both cyano substituted ligands, and the Mn(hfac)(2) coordination complex of the bromo substituted ligand,…
The syntheses of two anthraquinone-derived tetraaza macrocyclic ligands (L1 via 1-amino-9,10-anthraquinone and L2 via 1-amino-4-hydroxy-9,10-anthraquinone) together with their corresponding LnIII complexes, Ln-L1/2 (Ln = NdIII, GdIII, ErIII, YbIII), are described. Both Ln-L1 (lambda(max) approximately 380 nm) and Ln-L…
Tobias Pfallera, Victor Puntesb, Eudald Casalsb, Albert Duschla & Gertie J. Oostinghaa Department of Molecular Biology, University of Salzburg, Salzburg, Austriab Institut Català de Nanotecnologia and Institut Català de Recerca I Estudis Avançats, Barcelona, SpainDepartment of Molecular Biology, Division Allergy and I…
This paper presents a diesel engine selective catalytic reduction (SCR) control design based on a novel model predictive control (MPC)-assisted approach, which utilizes the advantages of MPC while keeping the computation demand under an acceptable level. The SCR control problem is featured by the challenges of time de…
Phthalocyanines (Pcs) and boron dipyrromethenes (BDPs) are two versatile classes of functional dyes suitable for design of artificial light harvesting and charge separation systems. In the present work, we report the results of photophysical investigations of two novel non-sandwich-type BDP-Pc heterotriads, in which t…
Activated carbon nanofibers (ACNFs) based on a polymer blend, which consists of polyacrilonitrile (PAN) and cellulose acetate (CA), were prepared by electrospinning and subsequent thermal treatment. The diameter of ACNF increased with increasing CA content. The electrical conductivity increased with the addition of CA…
A microsegregation solidification model has been extended for an individual droplet falling through a stagnant gas during the atomization process. Assuming a uniform temperature within the droplet, the model takes into account nucleation undercooling and equiaxed growth of the dendritic and eutectic microstructures un…
Selective structure and shape of Eu3+-doped monoclinic LaPO4 and hexagonal LaPO4·1.5H2O nanocrystals were successfully synthesized by a hydrothermal method. It was found that the pH and temperature of the growth solution are two crucial factors in determining the structure and morphology of LaPO4nanocrystals. The prop…
Water-soluble, exceptionally stable, "naked" silver nanoparticles were obtained in a single step by simple decomposition of a commercial silver complex at room temperature without the need of external reducing agents and conventional stabilizing ligands.
Oxidative dehydrogenation of amines using heterogeneous gold catalysts has unanticipated potential; chemisorbed atomic oxygen is used to activate propylamine, producing propionitrile and/or propionaldehyde on a single-crystal Au(111) surface.
An environmentally friendly development process using supercritical carbon dioxide (scCO2) was applied to a novel molecular glass resist made from a molecular waterwheel (‘Noria’), and patterned by electron-beam (EB) lithography. The physical and lithographic properties of a Noria derivative, tert-butoxycarbonyl-prote…
We have developed a green electroless plating method, i.e., a method that ensures the saving of resources and reduction of emissions to the environment, for the formation of a conductive coating on micrometer-sized core beads. This method has great advantages in practical applications because it uses a self-assembling…
Ultra-thin metal-oxides such as zirconia have tremendous technological applications such as electrolyte membranes for advanced solid oxide fuel cells, fuel cladding material for light water nuclear reactors, pressure tube materials for heavy water nuclear reactors and corrosion resistant coatings. Oxide non-stoichiome…
High-speed photographic observations of cavitation occurring under a low-frequency (21 kHz) sonotrode tip in the presence of an additional, high-frequency (355 kHz) ultrasound source have been made in water and in dilute aqueous solute solutions. Acoustic emission spectra were measured to support the visual observatio…
Three series of asymmetric bent-core compounds were synthesized and their mesomorphic properties were studied. All the compounds possess 2-methylresorcinol as a central unit and a stilbene bridge as a main element in the structure. Molecules of series I and series II possess only saturated terminal chains while those…
Abstract: A three-dimensional Discrete Element Method (DEM) is used to study the penetration and perforation process of a concrete target subjected to rigid flat-nose-shaped missile impacts. The evolution of the missile velocity is compared with real test cases made by the French Atomic Energy Agency (CEA) and the Fre…