Materials Literature
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We report computer simulation studies of the kinetics of ordering of a two-dimensional system of particles on a template with a one-dimensional periodic pattern. In equilibrium, one obtains a reentrant liquid-solid-liquid phase transition as the strength of the substrate potential is varied. We show that domains of cr…
Abstract Our aim was to characterise the suspension rheology of microfibrillated cellulose (MFC) in relation to flocculation of the cellulose fibrils. Measurements were carried out using a rotational rheometer and a transparent cylindrical measuring system that allows combining visual information to rheological parame…
Integration of graphene field-effect transistors (GFETs) requires the ability to grow or deposit high-quality, ultrathin dielectric insulators on graphene to modulate the channel potential. Here, we study a novel and facile approach based on atomic layer deposition through ozone functionalization to deposit high-κ die…
We report a facile approach to synthesizing 3-aminopropyltrimethoxysilane (APTS)-coated magnetic iron oxide (Fe(3)O(4)@APTS) nanoparticles (NPs) with tunable surface functional groups for potential biomedical applications. The Fe(3)O(4) NPs with a mean diameter of 6.5 nm were synthesized by a hydrothermal route in the…
A two-layer statistically equivalent periodic unit cell is offered to predict a macroscopic response of plain weave multilayer carbon-carbon textile composites. Falling-short in describing the most typical geometrical imperfections of these material systems the original formulation presented in (Zeman and Šejnoha, Int…
Fabricating complex transition metal oxides with a tuneable band gap without compromising their intriguing physical properties is a longstanding challenge. Here we examine the layered ferroelectric bismuth titanate and demonstrate that, by site-specific substitution with the Mott insulator lanthanum cobaltite, its ban…
It is well known that, if a crystal structure has no inversion symmetry, it may allow for Dzyaloshinskii-Moriya magnetic interactions, operating between different crystallographic unit cells, which, in turn, should lead to the formation of long-periodic spin-spiral structures. Such a behavior is anticipated for two si…
Silver nanocrystals made by a chemical reduction of silver salts (AgNO$_3$) by sodium borohydride (NaBH$_4$) were studied using Transmission Electron Microscopy (TEM) and light scattering simulations. For various AgNO$_3$/NaBH$_4$ molar ratios, the size distributions of the nanocrystals were found to be approximately…
A theoretical model for understanding the formation of interfacial thin films is presented, which combines density functional theory calculations for interface energies with thermodynamic modeling techniques for multicomponent bulk systems. The theory is applied to thin film formation in VC-doped WC-Co cemented carbid…
We investigate, by molecular dynamics simulation, the generic features associated with the dynamic compaction of metallic nano-foams at very high strain rates. A universal feature of the dynamic compaction process is revealed as composed of two distinct regions: a growing crushed region and a leading fluid precursor.…
We report recent results of molecular dynamics simulations of frictional athermal particles at constant volume fraction and constant applied shear stress, focusing on a range of control parameters where the system first flows, but then jams after a time tjam. On decreasing the volume fraction, the mean jamming time di…
Noncontact mode atomic force microscopy was used to investigate native silk proteins prepared in different ways. Low protein concentrations revealed that single protein molecules exhibit a simple, round shape with apparent diameters of 20-25 nm. Shearing the native protein solutions after extraction from the gland and…
We report an effort to optimize the room-temperature permanent magnet properties of Ce-Fe-B materials rapidly solidified by melt spinning. Starting alloy compositions in the ternary phase diagram were selected systematically. Ribbons were melt spun from them at a quench wheel velocity of 35 m/s, corresponding to a sol…
A new esterase from Thermobifida halotolerans (Thh_Est) was cloned and expressed in E. coli and investigated for surface hydrolysis of polylactic acid (PLA) and polyethylene terephthalate (PET). Thh_Est is a member of the serine hydrolases superfamily containing the -GxSxG- motif with 85–87% homology to an esterase fr…
The active phase of Pd during methane oxidation is a long-standing puzzle, which, if solved, could provide routes for design of improved catalysts. Here, density functional theory and in situ surface X-ray diffraction are used to identify and characterize atomic sites yielding high methane conversion. Calculations are…
A green, facile, one-pot synthesis of well-defined Au NPs@POM-GNSs tricomponent nanohybrids is reported (POM stands for polyoxometalate and GNSs for graphene nanosheets). The synthesis is convenient, rapid and environmentally friendly. The POMs serve as both reducing, encapsulating molecules, and bridging molecules; t…
Light scattering at nanoparticles and molecules can be dramatically enhanced in the 'hot spots' of optical antennas, where the incident light is highly concentrated. Although this effect is widely applied in surface-enhanced optical sensing, spectroscopy and microscopy, the underlying electromagnetic mechanism of the…
Experimental measurements have recently shown that Cu${}_{3}$SbSe${}_{3}$ exhibits anomalously low and nearly temperature-independent lattice thermal conductivity, whereas Cu${}_{3}$SbSe${}_{4}$ does not exhibit this anomalous behavior. To understand this strong distinction between these two seemingly similar compound…
Water oxidation is the bottleneck in artificial photosynthetic systems that aim to split water into hydrogen and oxygen. However, water oxidation occurs readily in plants, catalyzed by the Mn 4 O 4 Ca manganese cluster. In addition to this, manganese minerals are ubiquitous in nature displaying layered and tunnel stru…
In this article, three bio-composites, i.e. flax, linen and bamboo fabric reinforced epoxy resin, were manufactured using a vacuum bagging technique. The influence of alkali treatment (with 5 wt% NaOH solution for 30 min) on tensile properties of flax, linen and bamboo single-strand yarns, surface morphology and mecha…