Materials Literature
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We present a new adaptive resolution technique for efficient particle-based multiscale molecular-dynamics simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially localized domains whereas a lower mesoscopic level of detail is sufficient for the…
Abstract Diatoms are eukaryotic, unicellular algae that are ubiquitously present in almost any water habitat on earth. Diatoms dominate phytoplankton populations and algal blooms in the oceans. They are responsible for about 25 % of the world's net primary production. Apart from this ecological significance, diatoms a…
New information about the active sites for the water gas shift (WGS) reaction over Cu-CeO2 systems was obtained using in-situ, time-resolved X-ray diffraction (TR-XRD), X-ray absorption spectroscopy (TR-XAS, Cu K and Ce L3 edges), and infrared spectroscopy (DRIFTS). Cu-CeO2 nanoparticles prepared by a novel reversed m…
Abstract A novel method for the preparation of a quaternary ammonium ionomer of styrene–butadiene–styrene triblock copolymer (SBS) was developed by a ring‐opening reaction of epoxidized SBS with triethylamine hydrochloride in the presence of a phase transfer catalyst. The optimum conditions were studied. The ionomer w…
A new electrochemical polymerization method for preparing vertically aligned polypyrrole drawing a fingerprint array was developed. Polymerization of Py in the chiral nematic liquid crystal (N*-LC) produces vertical alignment of the fibril structure. Here, the N*-LC plays a role of a molecular vessel. The fibril can g…
Abstract The diffusion of additives and the deterioration with the passage of time in polypropylene (PP) were studied by using the UL flaming test and the oxygen index test to measure the flame retardancy. The weight change was also measured. The decreases with the lapse of time were observed for multiple flame retard…
The Sn ${M}_{5}{N}_{45}{N}_{45}$ Auger spectrum from the $(\sqrt{3}\ifmmode\times\else\texttimes\fi{}\sqrt{3})R30\ifmmode^\circ\else\textdegree\fi{}\text{\ensuremath{-}}\mathrm{Sn}∕\mathrm{Ge}(111)$ surface has been measured in coincidence with the corresponding $3{d}_{5∕2}$ photoelectron. By detecting this pair at ap…
Abstract The nanothread of polyaniline (PANI) using ammonium persulphate ((NH 4 ) 2 S 2 O 8 ) as an oxidant was prepared. The solution is composed of 0.4 mol dm −3 aniline, 1.0 mol dm −3 hydrochloric acid, and different proportions ethanol. The resulting products were characterized using infrared spectroscopy, UV–vis…
A mesoporous hybrid material containing free phosphine oxide ligands in the pore walls was prepared in the presence of a structure-directing agent. The phosphine oxide ligands were proved to operate as templates for further erbium(III) and/or ytterbium(III) ion complexation.
We study the equilibrium configurations of a nematic liquid crystal confined between two parallel plates, when an electric field is applied. We take into account the mutual interaction of the field and the material. We also analyse the effects of two possibly different weak anchoring potentials at the plates. We use a…
Thermal expansion measurements on unpoled, multidomain, single crystals of PMN-PT in the MPB region reveal that one of the ⟨001⟩ directions is different than the other two, contrary to the crystallographic equivalency that is expected for threefold rotations about ⟨111⟩ derived from the prototypic-cubic phase. This un…
The anions 4-nitrophenolate (4-NP) and 2,4-dinitrophenolate (2,4-DNP) undergo anion-exchange intercalation with [LiAl2(OH)6]Cl·xH2O, ([Li-Al-Cl] LDH), to yield the fully exchanged intercalates [LiAl2(OH)6]{4-NP}·2H2O and [LiAl2(OH)6]{2,4-DNP}·H2O respectively. 4-NP can be selectively intercalated in [Li-Al-Cl] LDH fro…
The phase diagram of model Mott-insulator-band-insulator heterostructures is studied using the semiclassical approximation to the dynamical-mean-field method as a function of thickness, coupling constant, and charge confinement. An interface-stabilized ferromagnetic phase is found, allowing the study of its competitio…
Misfit-layered (ML) cobalt oxides of the general formula of [ M m A 2 O m +2 ] q CoO 2 have been proven to be efficient thermoelectric materials because the structure is capable in accommodating the two seemingly contradictory characteristics of high electrical conductivity and large thermoelectric power. They are als…
Abstract In this article, the effect of sample size on the degassing behavior of closed‐cell low density polyethylene (LDPE) foam under long‐term compressive static loading is presented. The creep response was modeled by assuming isothermal compression of the gas. The change in gas pressure with time was obtained and…
Abstract Miscible polymer blends based on various ratios of poly(vinyl acetate) (PVAc) and poly(methyl methacrylate) (PMMA) were prepared in film form by the solution casting technique using benzene as a common solvent. The thermal decomposition behavior of these blends and their individual homopolymers before and aft…
The effect of alkaline earth ions on the dynamics of ${\mathrm{Li}}^{+}$ ions in bismuthate glasses has been studied in the temperature range $353--503\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ and in the frequency range $10\phantom{\rule{0.3em}{0ex}}\mathrm{Hz}--2\phantom{\rule{0.3em}{0ex}}\mathrm{MHz}$. The dc conductiv…
Abstract The effect of incorporation of the two different fillers, i.e. calcium carbonate and magnesium hydroxide, over a concentration range of 0–35% w/w on mechanical and burning properties and hot set test of polyethylene (PE) has been studied. The incorporation of either of these fillers deteriorates mechanical pr…
Abstract The Rayleigh ratio of toluene at 25°C for a wavelength of 632.8 nm was determined by static light scattering measurement of a certified polystyrene reference material PS 2400 with exactly evaluated or certified mass‐average molecular mass ( M w ). At first, static light scattering measurements were carried ou…
Abstract Poly(ethylene 2,6‐naphthalate) (PEN) and poly(ethylene terephthalate) (PET) composite fibers reinforced with a thermotropic liquid crystal polymer (TLCP) were prepared by the melt blending and spinning process to achieve high performance fibers with improved processability. Polymer composite fibers consisting…