Materials Literature
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The ferromagnetic (FM) transition temperature (Tc) of a two-band Double-Exchange (DE) model for colossal magnetoresistance (CMR) materials is studied using dynamical mean-field theory (DMFT), in wide ranges of coupling constants, hopping parameters, and carrier densities. The results are shown to be in excellent agree…
Low-molecular mass organic gelators self-organizing into three-dimensional fiber networks within organic solvents have attracted much attention in recent years. However, to date, how the microstructure of fiber network is formed in a gelation process and the key factors that govern the topological structure of a gel n…
Exposing single-walled carbon nanotubes to room-temperature UV-generated ozone leads to an irreversible increase in their electrical resistance. We demonstrate that the increased resistance is due to ozone oxidation on the sidewalls of the nanotubes rather than at the end caps. Raman and X-ray photoelectron spectrosco…
The structure, oxygen stoichiometry, and chemical and thermal expansion of Ba 0.5 Sr 0.5 Co 0.8 Fe 0.2 O 3 - δ (BSCF) between 873 and 1173 K and oxygen partial pressures of 1 × 10 - 3 to 1 atm were determined by in situ neutron diffraction. BSCF has a cubic perovskite structure, space group Pm 3̄ m, across the whole T…
This paper describes a systematic study on the synthesis, anion exchange, and delamination of Co-Al layered double hydroxide (LDH), with the aim of achieving fabrication and clarifying the properties of LDH nanosheet/polyanion composite films. Co-Al-CO3 LDH hexagonal platelets of 4 mum in lateral size were synthesized…
A single protein crystal structure contains information about dynamic properties of the protein as well as providing a static view of one three-dimensional conformation. This additional information is to be found in the distribution of observed electron density about the mean position of each atom. It is general pract…
The selection of nanoparticles for achieving efficient contrast for biological and cell imaging applications, as well as for photothermal therapeutic applications, is based on the optical properties of the nanoparticles. We use Mie theory and discrete dipole approximation method to calculate absorption and scattering…
Abstract The new promoted ignition combustion test apparatus at BAM matches the requirements of ASTM test method G 124 [ASTM G 124, Standard Test Method for Determining the Combustion Behavior of Metallic Materials in Oxygen-Enriched Atmospheres, 2003] and of EIGA publication, IGC Doc 13/02/E [EIGA Gas Association Doc…
The letter casts some light on the structural, elastic and electronic properties of C49- and C54-TiSi 2 , using an ab initio plane-wave ultrasoft pseudopotential method based on generalized gradient approximation (GGA). An intrinsic advantage in the growth stage for C49 phase might explain its kinetically favored phen…
The thermal expansion properties and melting points of silicon and germanium are calculated using molecular dynamics simulations within the density functional theory framework. An isothermal–isobaric (NPT) ensemble is considered in a periodic system with a relatively small number of particles per unit cell to obtain t…
Characterization of pore structure and pore wall crystal structure was performed on porous high-density polyethylene (HDPE) material using scanning electron microscopy (SEM), transmission electron microscopy (TEM), and electron diffraction (ED). The porous HDPE material was obtained through crystallization from swolle…
The mineral zircon, ZrSiO4, is a candidate material for optical dating because it exhibits luminescence after exposure to natural radioactivity. The kinetic model of zircon thermally stimulated luminescence proposed before has been modified and used to investigate optically Stimulated luminescence (OSL) of zircon. The…
We report the results of a first principles study on the clean and the reduced CrO2(100) surface. It is shown that both surfaces retain the half-metallicity because they share a common feature: the surface Cr atom also behaves like an isolated ion. Thus, the half-metallicity of the CrO2 surfaces can be qualitatively u…
In-vessel mirrors are necessary for optical and laser diagnostics of plasmas in next-step fusion devices; however obtaining mirror materials that will maintain their performance in the harsh fusion environment remains problematic. At present, mirrors are fabricated from polycrystals or monocrystals, and metal films on…
Scattering of $s$-polarized plane waves by finite-thickness periodic structures is studied, which contain components made of ultralow-permittivity metamaterial (ULPM), and therefore exhibit intermediate properties between those made of pure metals and of pure dielectrics. The numerical results presented demonstrate ba…
Abstract The interactions between hydroxypropylmethylcellulose (HPMC) and poly(acrylic acid) (PAA) as well as poly(methacrylic acid) (PMAA) resulting in formation of hydrophobic interpolymer complexes (IPC) via hydrogen bonding have been studied in aqueous solutions in acidic medium. The formation of IPC of two differ…
The dielectric relaxation due to interfacial charges in metal particle-filled composites occurs in the optical (high frequency) regime. However, many applications would benefit from a shift of the relaxation to a much lower frequency regime (e.g. radio or microwave range). This could be achieved by using a filler with…
The magnetic moment induced by an external magnetic field of 5.8 T on the Co 3+ ions in LaCoO 3 has been measured by polarized neutron diffraction. Measurements were made at 100 K, near to the susceptibility maximum usually associated with a gradual spin-state transition, as well as at 1.5 and at 285 K. The data give…
In present day fusion devices optimization of the performance and experimental freedom motivates the use of low- Z plasma facing materials (PFMs). However, in a future fusion reactor, for economic reasons, a sufficient lifetime of the first wall components is essential. Additionally, tritium retention has to be small…
We have made epitaxial and polycrystalline thin films of multiferroic ${\mathrm{BiFeO}}_{3}$ on different substrates [(001) and (111) ${\mathrm{SrTiO}}_{3}$, (001) and (111) ${\mathrm{LaAlO}}_{3}$, (001) $\mathrm{MgO}$, and (0001) sapphire] by pulsed-laser deposition. We investigated the second harmonic generation (SH…