Materials Literature
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Perovskite-related strontium orthoferrite, SrFeO 3−δ , has been fluorinated by a low temperature reaction with poly(vinylidene fluoride) to give the compound SrFeO 2 F. X-ray powder diffraction shows that fluorination leads to an expansion of the unit cell which is consistent with partial replacement of oxygen by fluo…
The adsorption kinetics and dynamics of typical combustion gases have been studied on CaO(100) by means of temperature programmed desorption and molecular beam scattering. In addition, the sample has been characterized by Auger electron spectroscopy. Whereas CO interacts rather weakly with CaO and adsorbs molecularly…
Sisal and oil palm fibers were incorporated into a natural rubber matrix, and the influence of fiber ratio on the cure and tensile properties of hybrid fiber-reinforced natural rubber composites were analyzed. Tensile strength and modulus was found to decrease with the loading of oil palm fiber. Longitudinally oriente…
The wetting of PDMS-grafted silica spheres (PDMS- g-silica) is connected to their depletion restabilization in semidilute and concentrated PDMS/cyohexane polymer solutions. Specifically, we found that a wetting diagram of chemically identical graft and free homopolymers predicts stability of hard, semisoft, and soft s…
Three conjugated polymers of the type (−spacer−C≡C−PtL 2 −C≡C−) n, with spacer = para - and ortho -bis(diphenyl(tetramethoxy)quinone diimine) and L = PEt 3, were synthesized as the cis - and trans -isomers about the Pt. The three combinations (spacer/PtL 2 Cl 2 ), ortho/trans, para/trans, and para/cis led to polydispe…
This paper describes a multiscale approach used to model polymer clay nanocomposites (PCNs) based on a new altered phase concept. Constant-force steered molecular dynamics (SMD) is used to evaluate nanomechanical properties of the constituents of intercalated clay units in PCNs, which were used in the finite element m…
This communication reports the first examples of transition metal complexes containing an RNNNNNNR 2- ligand. Addition of 1-azidoadamantane to the diiron(I) synthon LRFeNNFeL R (L R = HC[C(R)N(2,6- iPr 2C 6H 3)] 2; R = methyl, tert-butyl) leads to the diiron complexes L RFe(mu-eta2:eta2-AdN6Ad)FeLR, which are surprisi…
A field theory of dislocation mechanics and plasticity is illustrated through new results at the nano, meso, and macro scales. Specifically, dislocation nucleation, the occurrence of wave-type response in quasi-static plasticity, and a jump condition at material interfaces and its implications for analysis of deformat…
Precise magnetic structures of $R{\mathrm{Mn}}_{2}{\mathrm{O}}_{5}$, with $R=\mathrm{Y},\mathrm{Ho},\mathrm{Bi}$ in the commensurate and/or ferroelectric regime, have been determined by single-crystal neutron diffraction. For each system, the integrated intensities of a large number of independent magnetic Bragg refle…
Synthesis of semiconductor nanoparticles with uniform shapes, sizes, and compositions in series with a gradual size reduction has not been achieved for two-dimensional molecular sheets. We report a large-scale (>2.6 g) synthesis of 0.75-nm-thick diamond-shape lepidocrocite-type titanate molecular sheets with the sizes…
Implicit solvent simulations are those in which solvent molecules are not explicitly simulated, and the solute-solute interaction potential is modified to compensate for the implicit solvent effect. Implicit solvation is well known in Brownian dynamics of dilute solutions but offers promise to speed up many other type…
In this work the influence of geometry and composition on the charge-induced plasmonic shifts (CIPS) of gold nanoparticles are systematically studied using Mie scattering theory and the discrete dipole approximation. The sensitivity of nanorods and nanodisks with different aspect ratio and nanoshells with different vo…
The synthesis of three hydroxy-substituted cruciforms (XF, 1,4-bis(4'-hydroxystyryl)-2,5-bis(4''-methoxyphenylethynyl)benzene, 1,4-bis(4'-methoxystyryl)-2,5-bis(4''-hydroxyphenylethynyl)benzene, and 1,4-bis(4'-hydroxystyryl)-2,5-bis(4''-hydroxyphenylethynyl)benzene) starts with a Horner reaction followed by a Sonogash…
In this Letter a detailed study of the electric field gradient (EFG) across the Pr(1-x)Ca(x)MnO(3) phase diagram and its temperature dependence is given. Clearly, distinct EFG behavior for samples outside or inside the charge order (CO) region are observed. The EFG temperature dependence evidences a new phase transiti…
PURPOSE: To investigate the role of excess ligand present in gadolinium (Gd) -based contrast agents in the development of nephrogenic systemic fibrosis (NSF). Using a dosing regimen to simulate the exposure seen in patients with severe renal impairment, we investigated the effect of excess ligand on Gd-deposition and…
Spider silk is a material consisting of very large (>200 kDa) proteins and has a high potential for biomedical applications as a result of its biocompatibility and biodegradability. We report on the influence of physicochemical factors on structure formation of the engineered spider silk protein eADF4(C16), which mimi…
We show that covalently attached functional groups can alter the densities of individual single-walled carbon nanotubes (SWNTs) in a predictable and highly controllable manner. A volume-additivity model based on molecular group contributions can be used to estimate the density difference between 4-hydroxyphenyl-functi…
The phase behavior and terrace formation of solvent (chloroform) vapor annealed thin films of asymmetric comb-shaped supramolecules consisting of a polystyrene (PS) block and a supramolecular block of poly(4-vinylpyridine) (P4VP) hydrogen bonded with pentadecylphenol (PDP) on silicon oxide (SiO 2 ) were examined. P4VP…
We used polyethyleneglycol (PEG) as a modulator to manipulate pore and cell sizes in the porous anodic alumina (PAA) fabrication. It is shown for the first time that continuous manipulation of the pore size of PAA can be realized. Combined with the coexistent cell-size controlling effect, the morphology and properties…
Hollow silica nanospheres were prepared by template growth of silica gel on monodisperse (100−500 nm) polystyrene beads coated with poly-l-lysine, followed by calcinations. A similar route was used to prepare titania nanospheres.