Materials Literature
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Abstract Novel apatite‐type silicates are attracting considerable interest as a new family of oxide‐ion conductors with potential use in fuel cells and ceramic membranes. Combined computer modeling and X‐ray absorption (EXAFS) techniques have been used to gain fresh insight, at the atomic level, into the site selectiv…
Abstract A composite material consisting of hydroxide‐modified hemp fibres and euphorbia resin was produced. The composites were tested in tension, short‐beam interlaminar shear stress and in impact. There was an increase in the tensile strength and modulus for resins with high‐hydroxyl‐group based composites. Similar…
Nowadays, the majority of the commercially available calcium phosphate materials is fabricated by 'classical' materials science approaches, i.e., from rather poorly defined slurries or from organic solvents, often at high temperatures and pressures. Bioinspired precipitation of inorganics with (polymeric) additives fr…
Nanocomposites films have been processed from a filler and a matrix having the same nature, i.e. waxy maize starch. The filler consists of nanoplatelet-like starch particles obtained as an aqueous suspension by acid hydrolysis of starch granules and the matrix was prepared by plasticization and disruption of starch gr…
Abstract We describe the development and optimization of porous silicon photonic crystal surface chemistry towards implantable optical devices. Porous silicon rugate filters were prepared to obtain a narrow linewidth reflectivity peak in the near‐infrared (700–1000 nm) with low background reflectivity elsewhere. The m…
Abstract Inorganic nanofillers, CaCO 3 and nanoclay, are widely applied to improve the mechanical properties of polypropylene (PP). In general, the use of spherical CaCO 3 can enhance the impact strength while the use of layered nanoclay can enhance the modulus and yield stress. With the objective to simultaneously im…
Abstract In this study, we report the fabrication of a novel surface with both morphology and composition heterogeneities by casting polymer blend solution. The resultant poly (methyl methacrylate) (PMMA) and amphiphilic polyurethane (A‐PU) surface has a rough structure on microscale and separated hydrophobic and hydr…
Soil is a particulate material and its constituent particles have a wide range of sizes. Nanoparticles of usually 1 to 100 nm are the smallest particles in soil environments and exist in one of the three different forms: nanoplatelets, nanowires or nanotubes, and nanodots. Due to their tiny size, soil nanoparticles us…
Two new noncentrosymmetric (NCS) polar quaternary oxides, TlMVO 5 (M = Se 4+ or Te 4+ ), have been synthesized by hydrothermal techniques using Tl 2 CO 3, SeO 2 (TeO 2 ), and V 2 O 5 as reagents. The structures were determined by single-crystal X-ray diffraction (TlSeVO 5, orthorhombic, space group Pna 2 1 (No. 33) wi…
A novel approach for the preparation of a biotinylated dendrimer-based MRI agent 5 is described, in which a unique disulfide bond in the core of the Gd(III)-1B4M-DTPA chelated G2 PAMAM dendrimer was reduced and then attached to a maleimide-functionalized biotin. The new MRI agent 5 features a well-defined dendron stru…
The mechanism of ferromagnetism stability in sandwich clusters V$_n$(C$_6$H$_6$)$_{n+1}$ has been studied by first-principles calculation and model analysis. It is found that each of the three types of bonds between V and benzene (Bz) plays different roles. V 3d$_{z^2}$ orbital, extending along the molecular axis, is…
We report a detailed spectroscopic study of the pressure-induced neutral-ionic phase transition of the mixed-stack charge-transfer crystal tetrathiafulvalene-chloranil. We show that the pressure induced phase transition is still first-order and involves the presence of an intermediate disordered phase, defined by the…
We investigate numerically various properties of the one-dimensional (1D) breathing-mode polaron. We use an extension of a variational scheme to compute the energies and wave-functions of the two lowest-energy eigenstates for any momentum, as well as a scheme to compute directly the polaron Greens function. We contras…
Abstract We report a facile approach for the spontaneous formation of silver nanoparticles in the presence of gum acacia polymer (a natural polymer) without the addition of any typical reducing agent under mild conditions. Silver nanoparticles (∼ 5 nm) have been obtained by the mixing of equal amounts of 0.5 wt % aque…
Due to the competition between spatial and magnetic confinement, the density of states of a quasi two-dimensional system deviates from the ideal step-like form both quantitatively and qualitatively. We study how this affects the spin-subband populations and the spin-polarization as functions of the temperature, $T$, a…
We report measurements of the thermal expansion for two Eu$^{+2}$- and two Gd$^{+3}$-based intermetallics which exhibit ferro- or antiferromagnetic phase transitions. These materials show sharp positive (EuAgMg and GdAuMg) and negative (EuAuMg and GdAgMg) peaks in the temperature dependence of the thermal expansion co…
Violet Lander (VL) (C108H104) is a large organic molecule that when deposited on Cu (110) exhibited lock-and-key like behavior (Otero et al., Nature Mater. 3, 779 (2004)). In this work we report on a detailed fully atomistic molecular dynamics study of this phenomenon. Our results show that it has its physical basis i…
Phase field models have been applied in recent years to grain boundaries in single-component systems. The models are based on the minimization of a free energy functional, which is constructed phenomenologically rather than being derived from first principles. In single-component systems the free energy is a functiona…
We present a theoretical analysis of recent experimental measurements of magnetoresistance in ${\mathrm{Ga}}_{1\ensuremath{-}x}{\mathrm{Mn}}_{x}\mathrm{As}$ epilayers with perpendicular magnetic anisotropy. The model reproduces the field-antisymmetric anomalies observed in the longitudinal magnetoresistance in the pla…
Abstract We present a detailed study of a new, optimized coarse‐grained (CG) model of polystyrene (PS) and compare it with a recently published one (Harmandaris et al., Macromolecules 2006 , 39 , 6708). By implementing a different mapping scheme, the new model, augmented with softer nonbonded interactions, better repr…