Materials Literature
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We report results from molecular dynamics simulations of cooperative motion in a quasi-two-dimensional system of colloid particles. We find that the onset of the deviation of the single-particle displacement distribution from Gaussian form starts in the liquid phase and extends, with increasing magnitude, through the…
Heterogeneous catalysis is one of the oldest nanosciences. Although model catalysts can be designed, synthesized, and, to a certain degree, characterized, industrial heterogeneous catalysts are often chemically and physically complex systems that have been developed through many years of catalytic art, technology, and…
Three new azo-benzene-based push-pull chromophores with dendritic architecture were synthesized as active materials for electro-optic applications. These chromophores were synthesized in six or seven synthetic steps with an overall yield of around 80% per step and high purity. UV-vis spectroscopy showed significant in…
A polyoxometalate-macrocation ionic crystal of Cs5[Cr3O(OOCH)6(H2O)3][alpha-CoW12O40].7.5H2O (1a) was synthesized by the complexion of an inorganic metal-oxide cluster of [alpha-CoW12O40]6- and a macrocation of [Cr3O(OOCH)6(H2O)3]+. About 50% of the water of crystallization in 1a was desorbed by the evacuation to form…
CuSn alloy nanowires capped with Ni were prepared using sequential electrodeposition of nickel and a copper/tin bronze alloy into nanoporous alumina templates. The liberated nanowires were suspended in solvents and their behavior monitored using optical microscopy. The nanowires were oriented and spun in circles as “n…
Abstract The matrix of the composites that were used in this work was a commercial blend based on starch and cellulose derivatives. The biodegradable polymer was reinforced by short‐sisal fibers with a range in fiber content of 5–15 wt %. The effects of humidity on the diffusion coefficients, equilibrium moisture cont…
Abstract In this study, three cationic surfactants (hexadecyltrimethylammonium chloride, hexadecyldimethylbenzylammonium chloride, and octadecyltrimethylammonium chloride) were used to modify montmorillonite and polyethylene (PE)/maleic anhydride grafted polyethylene (PE‐ g ‐MAH)/organic‐montmorillonite (Org‐MMT) nano…
Hetero-epitaxial growth on a strain-relief vicinal patterned substrate has revealed unprecedented 2D long range ordered growth of uniform cobalt nanostructures. The morphology of a Co sub-monolayer deposit on a Au(111) reconstructed vicinal surface is analyzed by Variable Temperature Scanning Tunneling Microscopy (VT-…
The experimental solubility limit of Zr in Al is well-known. Al3Zr has a stable structure DO23 and a metastable one L12. Consequently there is a metastable solubility limit for which only few experimental data are available. The purpose of this study is to obtain by ab-initio calculations the solubility limit of Zr in…
We study the response of an adsorbed monolayer on a disordered substrate under a driving force using Brownian molecular-dynamics simulation. We find that the sharp longitudinal and transverse depinning transitions with hysteresis still persist in the presence of weak disorder. However, the transitions are smeared out…
We study nonmagnetic impurity effects in MgB$_{2}$ using the quasiclassical equations of superconductivity for a weak-coupling two-band model. Parameters in the model are fixed so as to reproduce experiments on MgB$_{2}$ as closely as possible. The quasiparticle density of states and the specific heat are calculated f…
We used molecular dynamics simulations based on a potential model in analogy to the Tight Binding scheme in the Second Moment Approximation to simulate the effects of aluminum icosahedral grains (dispersoids) on the structure and the mechanical properties of an aluminum matrix. First we validated our model by calculat…
I study the buckling transition under compression of a two-dimensional, hexagonal, regular elastic honeycomb. Under isotropic compression, the system buckles to a configuration consisting of a unit cell containing four of the original hexagons. This buckling pattern preserves the sixfold rotational symmetry of the ori…
We have investigated the structural sequence of the high-pressure phases of silicon and germanium. We have focussed on the cd->beta-tin->Imma->sh phase transitions. We have used the plane-wave pseudopotential approach to the density-functional theory implemented within the Vienna ab-initio simulation package (VASP). W…
The five-band Hubbard model for a d band with one electron per site is a model which has very interesting properties when the relevant ions are located at sites with high (e.g., cubic) symmetry. In that case, if the crystal-field splitting is large, one may consider excitations confined to the lowest threefold-degener…
Monolayers of mono-, di-, tri-, and tetraalkylammonium cations of varying chain length (C 4, C 8, and C 18 ) were self-assembled on montmorillonite platelets. The structure and chain dynamics of these SAMs were probed by infrared spectroscopy (IR), nuclear magnetic resonance spectroscopy (NMR), X-ray diffraction (XRD)…
The microwave, near-millimetre and infrared (IR) dielectric response of Srn+1TinO3n+1 (n=1-4) Ruddlesden-Popper homologous series was studied in the temperature range 10 to 300 K. Remarkable softening of the polar optical mode was observed in Sr4Ti3O10 and Sr5Ti4O13 which explains the increase in microwave permittivit…
The Raman-active phonons in perovskite-like LaMn1-xCoxO3 (x = 0, 0.2, 0.3, 0.4, and 1.0) were studied by measuring Raman spectra at temperatures of 295 and 5 K. The changes in the spectra with Co doping are correlated with the decrease of orthorhombic distortions. Surprisingly more phonon lines than allowed for the rh…
We present a new technique which brings a substantial increase of the wave-vector $q$-resolution of triple-axis-spectrometers by matching the measurement wave-vector $q$ to the reflection $τ_a$ of a perfect crystal analyzer. A relative Bragg width of $δ/Q \sim 10^{-4}$ can be achieved with reasonable collimation setti…
A study of the emulsification of silicone oil and water in the presence of partially hydrophobic, monodisperse silica nanoparticles is described. Emulsification involves the fragmentation of bulk liquids and the resulting large drops and the coalescence of some of those drops. The influence of particle concentration,…