Materials Literature
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ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTNonhydrolytic Layer-by-Layer Surface Sol−Gel Modification of Powdered Mesoporous Silica Materials with TiO2Wenfu Yan, Shannon M. Mahurin, Steven H. Overbury, and Sheng DaiView Author Information Chemical Sciences Division, Oak Ridge National Laboratory, P.O. Box 2008,…
Trehalose-glycerol mixtures are known to be effective in the long time preservation of proteins. However, the microscopic mechanism of their effective preservation abilities remains unclear. In this article we present a molecular dynamics simulation study of the short time, less than 1 ns, dynamics of four trehalose-g…
Abstract The synthesis of novel arborescent ( arb ; randomly branched, “tree‐like,” and often called “hyperbranched”) block copolymers comprised of rubbery polyisobutylene (PIB) and glassy polystyrene (PSt) blocks ( arb ‐PIB‐ b ‐PSt) is described. The syntheses were accomplished by the use of arb ‐PIB macroinitiators…
The next step forward, transforming polymer nanocomposites from filled-polymer replacements to designed and engineered materials, necessitates the development of techniques to transform the random or ill-defined nanoscale morphologies into compositionally and spatially engineered hierarchal structures, paralleling tha…
Using ab initio calculations, we have studied the chemical bonding and elastic properties of ${M}_{2}\mathrm{Sb}\mathrm{P}$ (space group $P{6}_{3}∕mmc$, prototype ${\mathrm{Cr}}_{2}\mathrm{Al}\mathrm{C}$), where $M=\mathrm{Ti}$, Zr, and Hf. The bonding is of covalent-ionic nature with the presence of metallic characte…
Periodically corrugated planar waveguides present sharp peaks in their reflectivity spectrum due to the excitation, by the incident beam, of an eigenmode of the structure. This property can be used to design free-space narrow-band filters. However, the extreme sensitivity of the resonances with respect to the angle an…
The effects of molecular weight and concentration of poly (methyl methacrylate) (PMMA) homopolymer or symmetric short polystyrene-block-poly (methyl methacrylate) (PS-b-PMMA) diblock copolymer on the size of the nanostructures of its blends with symmetric long PS-b-PMMA diblock copolymer have been investigated by atom…
Abstract Films of poly( L ‐lactide‐ co ‐ D ‐lactide) [P(LLA‐DLA); 95/5] and poly( L ‐lactide) [i.e., poly( L ‐lactide acid) (PLLA)] were prepared by crystallization from the melt, and a comparative study of the crystallization effects on the alkaline and proteinase K catalyzed hydrolysis of the films was carried out.…
A computer simulation model based on oblique-angle Jones matrix and Poincaré sphere is developed for optimizing the design of film-compensated multidomain vertical-alignment liquid crystal display (VA-LCD). According to this design, a contrast ratio higher than 10 000:1 is predicted over the entire ±85° viewing cone f…
A powerful method for the production of reproducible surface-enhanced Raman scattering (SERS) substrates is described based on the scaling properties of glass rods when drawn into fibers. The fabrication process involves chemically eroding the cleaved tips of drawn silica imaging fibers and then coating them with silv…
This paper proposes a novel thermostat applicable to any particle-based dynamic simulation. Each pair of particles is thermostated either (with probability P) with a pairwise Lowe-Andersen thermostat [C. P. Lowe, Europhys. Lett. 47, 145 (1999)] or (with probability 1-P) with a thermostat that is introduced here, which…
Abstract An exploratory pioneering study on the fabrication of nylon‐6/montmorillonite (MMT) nanocomposites with the aid of water as an intercalating/exfoliating agent via melt compounding in a twin‐screw extruder was conducted. Commercial nylon‐6 pellets and pristine MMT powder were directly fed into the hopper of th…
Modeling and flow reactor experiments are used to investigate the global kinetics for lean NO x traps (LNTs). Experiments were conducted with a Pt/Rh/BaO/Al 2 O 3 model catalyst, and the inlet feed gas was switched between lean and rich periods. It has previously been observed that NO oxidation to NO 2 is important fo…
Interfaces and close proximity between carbon nanotubes (CNTs) and the matrix are very important for their thermal conductance of CNT composites. Chemical modifications to the CNTs are a possible approach to manage the interfacial interactions. In this study, the nanocomposites of the polydimethylsiloxanerubber with 2…
We have computed the (17)O NMR parameters of an amorphous calcium aluminosilicate (CAS) from first-principles. The atomic coordinates of a CAS glass of composition (CaO)(0.21)(Al(2)O (3))(0.12)(SiO (2))(0.67) were obtained by quenching a liquid to room temperature by the means of ab initio molecular-dynamics simulatio…
Abstract In the quest to elucidate the solid‐state structures of polymers, insight into the amorphous phase is particularly elusive. Although the permeability of small molecules is often measured as an important performance property, numerous researchers have found that a deeper analysis of the transport characteristi…
Deuterium NMR is used to examine the molecular order exhibited by an organosiloxane tetrapode giving the first experimental evidence, using a bulk sample, for the existence of a biaxial nematic phase in this type of compounds. The temperature dependence of the averaged quadrupolar coupling constant and asymmetry param…
Abstract Summary: Porous materials of Bombyx mori silk sericin were prepared by freeze‐drying. The effects of concentration of the sericin solution and that of freezing temperature on the structure and properties of materials were investigated. The results indicated that porous sericin materials, with average pore rad…
The excited state dynamics and two-photon absorption properties of four novel triply linked porphyrin dimers in toluene have been investigated. The fused porphyrin dimers exhibit extremely increased two-photon absorption cross-section values (12,000-15,000 GM) compared with porphyrin monomers owing to much enhanced pi…
Abstract Summary: This article reports on the dynamic mechanical and thermal properties of thermosetting phenylethynyl‐terminated polyimide (PETI‐5) composites reinforced with expanded graphite (EG) nanoplatelets having various average particle sizes and content. The EG nanoplatelets with varying particle sizes were p…