Materials Literature
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This Letter reports a molecular dynamics study of the temperature and size dependence of disclination relaxation in a bicrystalline titanium nanowire. The simulations show that an unstable disclination may relax via crack nucleation and/or structural transformation. The critical disclination strength to nucleate a cra…
Abstract Purpose – This paper aims to appraise the effectiveness of Gongronema latifolium extract as an environmentally friendly corrosion inhibitor for aluminium in strong acid (2 M HCl) and alkaline (2 M KOH) environments. Design/methodology/approach – Corrosion rates were determined using the gas‐volumetric techniq…
Mycobacterium tuberculosis caseinolytic protease ClpP1 (Mt ClpP1) is a self-compartmentalized protease consisting of two heptameric rings stacked on top of each other, thus enclosing a catalytic chamber. Within the chamber, which can be reached through two axial pores, each of the 14 identical monomers possesses a ser…
The University at Buffalo theoretical databank of aspherical pseudoatoms has been tested in the refinement of high-resolution (HR; d(max) < or = 0.44 A) and truncated ;low-resolution' (LR; d(max) = 0.83 A) X-ray diffraction data sets from the tripeptide Tyr-Gly-Gly monohydrate [Pichon-Pesme et al. (2000), Acta Cryst.…
The synthesis and self-assembly of twelve semifluorinated first-generation dendrons or minidendrons attached to electron-acceptor (n-type) groups generated from various combinations of eight acceptors and three dendrons are reported. Dendrons attached to small electron-acceptor molecules mediate their self-assembly in…
The phonon and thermodynamic properties of the divalent alkaline-earth hexaborides, $M{\mathrm{B}}_{6}$ ($M=\mathrm{Ca}$, Sr, Ba), and the reference elements $\ensuremath{\alpha}\text{\ensuremath{-}}\mathrm{B}$, fcc-Ca, fcc-Sr, and bcc-Ba are investigated on the basis of first-principles projector augmented wave metho…
Abstract Shape memory was induced in crosslinked low‐density polyethylene by a heating‐stretching‐cooling cycle. The effect of crosslink content on thermal properties and temperature dependence recovery behavior was studied experimentally. The importance of stretching temperature and crosslink content on recovery beha…
The predicted endohedral icosahedral clusters Pu@Pb12 (see picture; Pu blue, Pb yellow) and [Am@Pb12]+ have an outermost 32-electron system corresponding to formally occupied 7s, 7p, 6d, and 5f actinide orbitals, each of which interacts with a Pb 6p-based orbital of the [Pb12]2− cage. This study provides the first exa…
A series of BaTiO3–Ni0.55Zn0.45Fe2.03O4 composites are synthesized. The composites exhibit excellent dielectric and magnetic properties in the neighborhood of the percolation threshold—a high dielectric constant that is nearly temperature and frequency independent (see figure)–and considerable initial permeability wit…
Coulomb screening and the excitation spectra of electrons in a graphene layer with spin-orbit interaction (SOI) are studied in the random phase approximation. The SOI opens a gap between the valence and conduction bands and between the intraband and interband electron-hole excitation continuum of the semimetal Dirac s…
The critical properties at the ferromagnetic-paramagnetic transition have been analyzed from data of static magnetization measurements on single crystals of ${\mathrm{Pr}}_{1\ensuremath{-}x}{\mathrm{Pb}}_{x}\mathrm{Mn}{\mathrm{O}}_{3}$ for $x=0.23$ and $x=0.30$. In ${\mathrm{Pr}}_{1\ensuremath{-}x}{\mathrm{Pb}}_{x}\ma…
We have investigated the Coulomb screening properties and collective excitations in a graphene bilayer. The static screening effect is anisotropic and is much stronger in the undoped graphene bilayer than in a monolayer graphene. The dynamic screening shows the properties of a Dirac gas at low frequency and that of a…
Between the lines: Functionalized single-walled carbon nanotubes (SWNTs) can be aligned in the hexagonal columnar mesophase of discotic liquid crystals (DLCs). The thermophysical properties of SWNT–DLC composites indicate inclusion of SWNTs in the supramolecular order of DLCs (see picture).
New photochromic and fluorescent dyes are formed by covalently attaching emissive squaraine units to azo moieties. Illumination of doped matrices by light interference fringes provokes the reversible migration of the dyes and the formation of fluorescent gratings, as shown schematically in the figure. The visualizatio…
Part 1 The structure and properties of cotton: Chemical structure and properties of cotton Physical structure and properties of cotton Cotton fibre quality. Part 2 Production processes for cotton: The genetic modification of cotton The production of organic cotton The harvesting and ginning of cotton The opening, blen…
Effective mass anomalies due to the geometrical effects are investigated in silicon nanostructures using first-principles calculations for the first time. In \{111\} and \{110\} biaxially strained Si, it is found that longitudinal effective mass is extraordinarily enhanced for both thin films and crystals. This mass e…
We study height and roughness distributions of films grown with discrete Kardar-Parisi-Zhang (KPZ) models in a small time regime which is expected to parallel the typical experimental conditions. Those distributions are measured with square windows of sizes $8\leq r\leq 128$ gliding through a much larger surface. Resu…
It stacks up nicely: Exposure of dihydrogen sulfate salts of appropriately substituted cyclo[8]pyrroles to electron-deficient acceptor molecules gives discotic liquid crystals. The columnar mesophase structures are stabilized by electron-donor/electron-acceptor interactions (see picture; red: trinitrobenzene, green: c…
Bottom-up and top-down nanofabrication: A fluorescent organic molecule bearing a self-assembly modulator was assembled in situ through a vapor-driven self-assembly process into strongly fluorescent spherical nanoparticles (about 30 nm in diameter) in the photochemically delineated regions of a polymer matrix (see pict…
We present a numerical algorithm to solve the Boltzmann equation for the electron distribution function in magnetic multilayer heterostructures with non-collinear magnetizations. The solution is based on a scattering matrix formalism for layers that are translationally invariant in plane so that properties only vary p…