Materials Literature
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Carbon nanotubes are the fabric of nanotechnology. Investigation into their properties has become one of the most active fields of modern research. This book presents the key computational modelling and numerical simulation tools to investigate carbon nanotube characteristics. In particular, methods applied to geometr…
Owing to the superhydrophobicity of their legs, such creatures as water striders and fisher spiders can stand effortlessly, walk and jump quickly on water. Directed toward understanding their superior repellency ability, we consider hydrophobic thin rods of several representative cross sections pressing a water surfac…
A series of organic-inorganic hybrid compounds, K2H7[{Ln(PW11O39)2}{Cu2(bpy)2(mu-ox)}].xH2O (Ln = La, x approximately = 18 (1); Ln = Pr, x approximately = 18(2); Ln = Eu, x approximately = 16(3); Ln = Gd, x approximately 22(4); Ln = Yb, x approximately = 19 (5); bpy = 2,2'-bipyridine and ox = oxalate), have been isola…
We report on two anomalous trends in the temperature dependences of the splay (${K}_{11}$) and bend (${K}_{33}$) elastic constants in the nematic ($N$) phase of mixtures of compounds with rodlike ($R$) and bent-core (BC) molecules: As the sample is cooled from the isotropic to $N$ transition point, (i) ${K}_{33}$ incr…
Abstract A nanocellular PS/PMMA polymer blend foam was prepared, where bubble nucleation was localized in the PMMA domains. The blend, which contains dispersed nanoscale PMMA islands, was prepared by polymerizing MMA monomers in a PS matrix to form highly dispersed PMMA domains in the PS matrix by diffusion mixing. Th…
A kinematical algorithm is proposed for the construction of strain tensors from atomistic simulation data. Local strain tensors such as the Almansi and Green strain tensors suitable for use in large deformation molecular dynamics/statics simulations are computed directly from a discrete form of the deformation gradien…
A solvothermal method for growing ZnO nanostructures with different morphologies is presented. Nanowires, nanorods, nanocorns, nanoshuttles, nanoworms, and nanoflowers with excellent crystallinity have been successfully fabricated by combining two different coordination agents and adjusting the ratio of solvents and t…
We investigate the rare-earth polychalcogenide $R_2$Te$_5$ ($R$=Nd, Sm and Gd) charge-density-wave (CDW) compounds by optical methods. From the absorption spectrum we extract the excitation energy of the CDW gap and estimate the fraction of the Fermi surface which is gapped by the formation of the CDW condensate. In a…
We report that the polarity and dielectric constants of solvents used for grafting organosilanes on mesoporous materials strongly affect the concentration of grafted organic groups, the degree of their site-isolation, and the catalytic properties of the resulting materials. Polar and nonpolar organosilanes as well as…
Reaction of cobalt salts with phosphonic acids in the presence of 6-chloro-2-hydroxypyridine as a co-ligand, normally in its deprotonated form, leads to a series of new polymetallic cobalt cages. The most common structural type is a {Co(14)} cage which resembles a fragment of cobalt hydroxide. Variation of the phospho…
Based on the modified Landau-Lifshitz-Gilbert equation for an arbitrary Stoner particle under an external magnetic field and a spin-polarized electric current, differential equations for the optimal reversal trajectory, along which the magnetization reversal is the fastest one among all possible reversal routes, are o…
A simple manner to describe the diffusive relaxation of a colloidal fluid adsorbed in a porous medium is to model the porous medium as a set of spherical particles fixed in space at random positions with prescribed statistical structural properties. Within this model one may describe the relaxation of concentration fl…
The rare earth ($R$) tellurides $R_2$Te$_5$ have a crystal structure intermediate between that of $R$Te$_2$ and $R$Te$_3$, consisting of alternating single and double Te planes sandwiched between $R$Te block layers. We have successfully grown single crystals of Nd$_2$Te$_5$, Sm$_2$Te$_5$ and Gd$_2$Te$_5$ from a self f…
Substrates with a nanofibrous morphology are considered as a prospective matrix to populate and support cells in the tissue regeneration area. Although the nanofibers made of synthetic degradable polymers, including poly(lactic acid) (PLA), have been well studied, their poor cell affinity has restricted wider applicat…
High Resolution Image Download MS PowerPoint Slide The surface plasmon resonance of small metal particles is highly sensitive to the refractive index of the surrounding medium. However, for particles dispersed on a glass surface in a polymer matrix, the effective refractive index is ill-defined. The effects of the sub…
The dinuclear RuII-PdII complex shows efficient H2 production in the presence of triethylamine as a sacrificial electron and proton donor under visible light irradiation. XPS and TEM analyses reveal that photoreduction of PdII to Pd0 causes dissociation of Pd from the complex to form colloids that are suggested to be…
The use of derivatised salicylaldoximes in Mn chemistry has led to the isolation of a plethora of beautiful new SMMs ranging in nuclearity from three to eight and with spin ground states as large as S = 12-including a Mn6 complex with the largest energy barrier to magnetisation reversal yet reported. The deliberate ch…
Disease-associated blood biomarkers exist in exceedingly low concentrations within complex mixtures of high-abundance proteins such as albumin. We have introduced an affinity bait molecule into N-isopropylacrylamide to produce a particle that will perform three independent functions within minutes, in one step, in sol…
This work examines the release of a model water-soluble compound from electrospun polymer nanofiber assemblies. Such release attracts attention in relation to biomedical applications, such as controlled drug delivery. It is also important for stem cell attachment and differentiation on biocompatible electrospun nanofi…
Abstract BACKGROUND: Shape memory polymers are capable of fixing a transient shape and of recovering their original dimensions by the application of an external stimulus. Their major drawback is their low stiffness compared to smart materials based on metals and ceramics. To overcome this disadvantage, nanocellulose w…