Materials Literature
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Hyperbranched polymer melts have been simulated using a coarse-grained model and nonequilibrium molecular dynamics (NEMD) techniques. In order to determine the shear-induced changes in the structural properties of hyperbranched polymers, various parameters were calculated at different strain rates. The radii of gyrati…
The combination of high-throughput reactor experiments and scanning electron microscopy analysis of promoted Ag catalysts provides critical insights into mechanistic and morphological changes. In particular, catalysts promoted with Cu, Cd, Au, Pt, and Re were analyzed to understand the morphological effects of these p…
The flame retardant form stable phase change materials (PCM) based on high density polyethylene (HDPE)/ethylene-vinyl acetate (EVA)/organophilic montmorillonite (OMT) nanocomposites and paraffin compounds were prepared. The flame retardant system used consisted of magnesium hydroxide (MH) and microencapsulated red pho…
We have investigated the magneto-optical response in the visible spectrum of thin-film ferromagnetic manganites. We observe a huge enhancement of the magnetorefractive effect (MRE) around the Curie temperature, which is linked to the colossal magnetoresistance. It is found that the unusually large MRE at visible frequ…
A theoretical model has been developed to study the optical properties of metallic multishell structures on the nanometer scale. The Mie theory was generalized for multiconcentric spherical shell nanostructures and employed to determine the effects and importance of the different parameters of the system such as thick…
Ni-based catalysts derived from Ni−Mg/Al ternary hydrotalcites with low Ni-loadings have been prepared for the partial oxidation of methane (POM) to syngas. The reducibility, surface basicity, and effects of catalyst reduction on POM reactivity over these catalysts have been explored. Temperature-programmed reduction…
Magnetostriction coefficients of ordered BeFe alloys were investigated, using the first-principles full-potential linearized augmented plane-wave method. A giant magnetostriction coefficient $(\ensuremath{\sim}1060\text{ }\text{ppm})$ was predicted in the ${\text{Fe}}_{0.8125}{\text{Be}}_{0.1875}$ alloy. We elucidated…
Abstract A set of linear [ m , n ]‐type polyurethanes was synthesized by reaction of HDI or MDI with conveniently protected sugar alditols L ‐threitol (LTh), L ‐arabinitol (LAr) and xylitol (Xy). $\overline M _{\rm n}$ of the resulting polyurethanes ranged between 10 000 and 60 000 with polydispersities around 2. They…
The thiourea-catalyzed methanolysis of d-lactide, a model system for the initiation and propagation of the organocatalyzed ring-opening polymerization (ROP) of lactide, has been studied by performing density functional theory calculations. Both the catalyzed and uncatalyzed reactions are explored along two possible pa…
Multiwalled carbon-nanotube (MWCNT)-embedded microcapsules were fabricated by the stepwise deposition of polyelectrolytes and oxidized MWCNTs using the layer-by-layer (LbL) self-assembly technique based on electrostatic interaction. Electrochemical behaviors of the MWCNT-embedded microcapsules were studied by cyclic v…
Ultrafast photoinduced transitions among three phases---charge density wave (CDW), Mott-Hubbard insulator, and metal---were investigated in an iodine (I)-bridged platinum (Pt) compound by femtosecond reflection spectroscopy. For a weak photoexcitation, CDW phase over 70 Pt sites is converted to Mott-Hubbard phase by o…
Abstract By employing the new methodology of entrapment of organic molecules within metals, we demonstrate the ability to modify the conductivity of a metal by suitable polymer entrapment. Specifically, polyaniline (PANI) in two molecular weights was entrapped in silver at different concentrations and a comprehensive…
A large reversible magnetocaloric effect over a wide temperature region has been observed in the compound Dy 2 In. For a magnetic-field change of 5 T, the maximum magnetic-entropy change −Δ S M is 9.2 J kg −1 K −1 at 126 K. The full width at half maximum (δ T FWHM ) of the −Δ S M versus T curve has a high value of 80…
From top to bottom: Peptide lines were formed in trenches in the self-assembled monolayer (SAM) on an Au substrate. Combination of the top-down (peptide nanolithography) and the bottom-up fabrications (biomineralization) yielded arrays of monodisperse Au nanoparticles assembled on the peptide lines (see picture). The…
The fabrication of biologically amenable interfaces in medicine bridges translational technologies with their surrounding biological environment. Functionalized nanomaterials catalyze this coalescence through the creation of biomimetic and active substrates upon which a spectrum of therapeutic elements can be delivere…
The kinetic rate laws of heavy metal (HM) vaporization from municipal solid waste during its incineration were studied. Realistic artificial waste (RAW) samples spiked with Pb, Zn, and Cd were injected into a fluidized bed reactor. Metal vaporization wastracked by continuous measure ofthe above metals in exhaust gases…
Reconstruction of a critical size bone defect in the head and neck after trauma or tumor resection remains challenging. While certain defects, such as isolated orbital floor fractures, may be reconstructed with alloplastic biomaterials, larger defects or those involving load bearing bones usually require autologous ti…
Dissipative particle dynamics (DPD) approach is used to investigate the conformational behaviors and interactions of the complex between a cylindrical polyelectrolyte brush (CPB) and linear polyelectrolytes (LPs) with opposite charges. The effective complex between CPB and LPs and its dependence on the amount and leng…
Cellulosic model surfaces functionalized with chitosan, a naturally occurring cationic biomacromolecule, by in situ adsorption have been studied with an atomic force microscope (AFM) in colloidal probe configuration. The interaction forces on approach and separation, as well as the nanotribological properties, were sh…
We report on the use of electrochemical atomic force microscopy (EC-AFM) to visualize the dynamic actuation of ultrathin polypyrrole films doped with polystyrene sulfonate. By varying the film thickness over 3 orders of magnitude from the micrometer to the nanometer range and measuring their actuation height displacem…