Materials Literature
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Solid electrolytes play an important role in several technological applications, such as fuel cells. Optimization of such materials is often done by trial and error. The work of Andersson et al. (1) in this issue of PNAS demonstrates that the choice of dopants can be guided by computer simulations, in which parameters…
Effects of interfacial dislocations on the properties of ferroelectric thin films are investigated, using the dynamic Ginzburg–Landau equation. Our results confirm the existence of a dead layer near the film/substrate interface. Due to the combined effects of the dislocations and the near-surface eigenstrain relaxatio…
We investigated the magnetic and transport properties of Ni-doped TiO2 films grown by a sol-gel method with Ni concentrations from 1% to 8%. All the samples exhibited ferromagnetism at room temperature identified by optical magnetic circular dichroism along with magnetometer measurement. The microstructural and compos…
Abstract In this study, ultrasonic irradiation and in situ emulsion polymerization were combined to prepare stable poly(methyl methacrylate‐ co ‐ n ‐butyl acrylate) (P(MMA‐BA))/carbon nanotubes (CNTs) composite emulsion, which solves the dispersion problem of CNTs in the latex. Two stages were adopted. In Stage I, ult…
By doping a few atomic percent of 3d-block cations, we demonstrate that the high dielectric response in CaCu3Ti4O12 can be reduced by a factor of ∼103 at room temperature. Each of the added dopants shows its own preferential substitution on either Cu or Ti sites. The dopants that act as acceptors have a critical impac…
Abstract Low and high density polyethylenes (PE) were crosslinked by two methods, namely, chemically by use of different amounts of tert ‐butyl cumyl peroxide (BCUP) and by irradiation with different doses of electron beam. A comparison between the effects of these two types of crosslinking on crystalline structure, c…
Molecular dynamics (MD) methods are utilized to study the formation of vacancy clusters created by displacement cascades in α-Fe containing different concentrations of substitutional He atoms. Primary knock-on atom energies, Ep, from 500eV to 20keV are considered at a temperature of 100K, and the results are compared…
We display an interesting sum rule for the dynamical thermal conductivity for many standard models of condensed matter in terms of the expectation of a thermal operator. We present the thermal operator for several model systems of current interest, which enable an evaluation of the sum rule and the Lorentz number, the…
Polyether polyurethanes are extremely interesting for use in implantable devices. They are, however, susceptible to autoxidative degradation and stress cracking. One approach to improving biostability is to replace some of the polyether with polysiloxane. Shore 80A polyether polyurethanes with 20% (PS-20) and 35% (PS-…
Light fingered: Highly photoluminescent (PL) polycrystalline dendrites have been grown by a controlled thermodynamic process from CdSe/ZnS core/shell quantum dots (see PL image, left) and quantum rods (see confocal PL image, right). In these dendrites, energy transfer takes place from the fingers to the core region.
Temperature dependent adhesion behavior and reinforcement in carbon nanotube (CNT)-polymer (polyethylene) composite is studied through molecular dynamics simulations. The interfacial shear stress through van der Waals interactions is found to increase linearly with applied tensile strains along the nanotube axis direc…
Thermoelectric material Bi2Te3 nanowire arrays have been successfully prepared by pulsed electrochemical deposition into the nanochannels of porous anodic alumina membranes. X-ray diffraction analyses show that the as-synthesized nanowires have a highly preferential orientation. Scanning electron microscopy, transmiss…
In this paper, we present a new method for highly efficient size separation of water-soluble CdTe quantum dots (QDs) based on CGE using polymer solution as sieving medium. CdTe QDs were synthesized in aqueous phase by a chemical route with mercaptopropionic acid as a ligand. In the alkaline solution, CdTe QDs possess…
Thermal cycloaddition of 1,3-dipolar azomethine ylides to the sidewalls of multiwalled carbon nanotubes (MWNTs) has been used to prepare MWNTs that contain 2-methylenethiol-4-(4-octadecyloxyphenyl) (4), N-octyl-2-(4-octadecyloxyphenyl) (5) or 2-(4-octadecyloxyphenyl)pyrrolidine (6) units. All these contain the 4-octad…
We report that electromagnetic wave reflected from a flat metallic mirror superimposed with a planar wavy metallic structure with subwavelength features that resemble “fish scales” reflects like a conventional mirror without diffraction, but shows no phase change with respect to the incident wave. Such unusual behavio…
ZnO -based p-n homojunctions were grown using molecular-beam epitaxy. Sb and Ga were used as dopants to achieve the p-type and n-type ZnO, respectively. The mesa devices were fabricated by employing wet etching and standard photolithography techniques. Al∕Ti metal was deposited by electron-beam evaporation and anneale…
Abstract Wood–plastic lumber is promoted as a low‐maintenance high‐durability product. When exposed to accelerated weathering, however, wood–plastic composites may experience a color change and loss in mechanical properties. Differences in weathering cycle and composite surface characteristics can affect the rate and…
Crystallization temperature dependency on Si nanoparticles size was studied by using Raman scattering spectroscopy. Si nanoparticles synthesized by pulsed laser ablation were annealed at various temperatures while they were suspended in helium background gas, and then were classified by a differential mobility analyze…
Severe plastic deformation of metals leads to an extremely fine microstructure. This is produced by “fragmentation” of the original crystal structure. The mechanisms for this fragmentation are discussed. Various methods for severe plastic deformation are classified according to the strain paths involved: For compariso…
In dynamical simulations of coarse-grained models of soft matter in a solvent a considerable amount of the total simulation time is generically spent on updating the solvent particles, although their dynamics is in most cases not of primary interest. In order to speed up such simulations and as a consequence allow to…