Materials Literature
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Families of model “rugged landscape” potential energy functions have been constructed and examined, in order to clarify the molecular-level basis for the relationship between thermodynamic and kinetic behaviors of glassforming substances. The general approach starts by forming elementary basin units, each of which con…
The objective of this investigation was to study the compositional influence on the corrosion behavior of Ni-Cr-Mo dental casting alloys in acidic artificial saliva. Cyclic potentiodynamic and potentiostatic tests were used to evaluate the corrosion behavior of different Ni-Cr-Mo dental casting alloys in deaerated art…
In this paper a novel way to quantify “nonexponential” relaxations is described. So far, this has been done in two ways: (1) by fitting empirical functions with a small number of parameters, (2) by calculation of the underlying distribution function g(ln τ) of (exponential) relaxations using regularization methods. Th…
The hypernetted-chain integral equations are solved on a three-dimensional cubic grid to calculate the spatial distribution of the depletion potential between a big solute of arbitrary geometry and a big sphere immersed in small spheres forming the solvent. By analyzing the potential along a specific trajectory of the…
Layered double hydroxides (LDHs) are anionic clays that can be synthesized under laboratory conditions. In this study, different LDHs were synthesized by a coprecipitation method, with the parent products and calcined derivatives evaluated for their ability to adsorb the anionic surfactant, dodecylbenzenesulfonate (DB…
The microphase-separated morphology of ABC three-arm star-shaped copolymers with arm-length ratio 1:1: x is investigated by a recently proposed simulation method, the diagonal bond method. Five kinds of two-dimensional (cylindrical) phases, three kinds of lamellar-type phases and two kinds of continuous matrix phases…
We propose a new method to sum up electrostatic interactions in 2D slab geometries. It consists of a combination of two recently proposed methods, the 3D Ewald variant of Yeh and Berkowitz, J. Chem. Phys. 111 (1999) 3155, and the purely 2D method MMM2D by Arnold and Holm, to appear in Chem. Phys. Lett. 2002. The basic…
We have succeeded in growing ferromagnetic metals (Co, Fe, and NiFe)/ Al2O3/ AlGaAs heterostructures with homogeneous and flat interfaces. The electro-luminescence (EL) from the light emitting diode (LED) consisting of the metal/insulator/semiconductor (MIS) structure depends on the magnetization direction of the ferr…
Spin-transfer torques occur in magnetic heterostructures because the transverse component of a spin current that flows from a non-magnet into a ferromagnet is absorbed at the interface. We demonstrate this fact explicitly using free electron models and first principles electronic structure calculations for real materi…
We have studied the diffuse scattering in the relaxor $\mathrm{Pb}({\mathrm{Mg}}_{1/3}{\mathrm{Nb}}_{2/3}){\mathrm{O}}_{3}$ (PMN) using triple-axis neutron scattering techniques. The diffuse scattering first appears around the Burns temperature ${T}_{d}\ensuremath{\approx}620\mathrm{K},$ indicating that its origin lie…
Two types of methods are commonly used to describe the van der Waals cohesive properties of graphitic systems: one is based on density functional theory and the other on empirical model potentials. This paper examines the relation between the two and finds that, when properly done, both methods give the same results.…
The influence of poly(lysine) and poly(arginine) on silicate solutions and silica sols has been investigated. In both cases, solid formation could be observed that appeared to depend on the polymer chain length. Polyelectrolytes induced gelation of diluted sodium silicate solutions. Studies of the silicic acid content…
A sol-hydrothermal method has been proposed to prepare uniform and unaggregated nanocrystals of pure anatase and rutile from various acidic mediums. The phase formation, particle sizes, and morphologies varying with different acids and their concentrations at different reaction temperatures and times have been investi…
Conjugated polymers and indium arsenide-based nanocrystals were used to create near-infrared plastic light-emitting diodes. Emission was tunable from 1 to 1.3 micrometers--a range that effectively covers the short-wavelength telecommunications band--by means of the quantum confinement effects in the nanocrystals. The…
The interpretation of macromolecular crystallographic electron-density maps is a difficult and traditionally a manual step in the determination of a protein structure. The visualization of information within an electron-density map can be extremely arduous owing to the amount and complexity of information present. The…
The optical spectra of vapor quenched metastable Ag−Cu thin films progressively iodized under ambient conditions have been measured. Delayed evolution and inhomogeneous broadening of the exciton absorption at 420 nm of the spatially confined γ-AgI nanoparticles were clearly seen by the development of Z 1,2 exciton pea…
The local environment of Er3+ ions in microporous titanosilicate ETS-10 and in synthetic narsarsukite and glassy materials obtained by calcination of ETS-10 has been investigated by EXAFS, Raman and photoluminescence spectroscopies. Er LIII-edge EXAFS studies of Er3+-doped ETS-10 support the view that the exchanged Er…
Abstract Blends of polycarbonate (PC) and poly(alkylene terephthalate) (PAT) such as poly(butylene terephthalate) (PBT) and poly(ethylene terephthalate) (PET) were investigated. It was learned that processes of phase separation in blends consisting of PC and PAT can cause variations in properties of both the amorphous…
Powder neutron diffraction data collected for AMo 2 S 4 (A = V, Cr, Fe, Co) reveal that the materials crystallize in the space group Cc ( a ≈ 11.8 Å, b ≈ 6.5 Å, c ≈ 13 Å, β ≈ 114°). The structure consists of dichalcogenide (MS 2 ) layers of edge-sharing octahedra, separated by a layer in which 50% of cation sites are…
The nanoscale investigation of mixed arrays of Keggin-type (H 3 PW 12 O 40 ) and Wells−Dawson-type (H 6 P 2 W 18 O 62 ) heteropolyacids (HPAs) deposited on a graphite surface was carried out by scanning tunneling microscopy (STM) and tunneling spectroscopy (TS). Pure H 3 PW 12 O 40 and H 6 P 2 W 18 O 62 formed self-as…