Materials Literature
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From first-principles calculations, we predict that a single ethylene molecule can form a stable complex with two transition metals (TM) such as Ti. The resulting TM-ethylene complex then absorbs up to ten hydrogen molecules, reaching to gravimetric storage capacity of approximately 14 wt %. Dimerization, polymerizati…
In this paper, we explore electron filtering as a technique to increase the Seebeck coefficient and the thermoelectric power factor of heterostructured materials over that of the bulk. We present a theoretical model in which the Seebeck coefficient and the power factor can be increased in an ${\mathrm{In}}_{0.53}{\mat…
Quantification of mixtures via the Rietveld method is generally restricted to crystalline phases for which structures are well known. Phases that have not been identified or fully characterized may be easily quantified as a group, along with any amorphous material in the sample, by the addition of an internal standard…
We show that the symmetry of the spin zigzag chain E phase of the orthorhombic perovskite manganites and nickelates allows for the existence of a finite ferroelectric polarization. The proposed microscopic mechanism is independent of spin-orbit coupling. We predict that the polarization induced by the E-type magnetic…
Abstract A novel approach is proposed to derive a theoretical curve, δ( E P ), from the equation for construction of a database of the secondary electron emission ( k , α), where δ( E P ) and [d E /d z ] are the secondary yield and energy dissipation in depth, respectively, for incident electrons of primary energy, E…
The homogeneous crystallization of liquid rubidium models containing 500, 998, and 1968 particles in the basic cube was studied by the molecular dynamics method. The liquid crystallized over the temperature range 70–182.5 K predominantly with the formation of a body centered cubic (BCC) structure. The mechanism of cry…
Ceramic coatings are fabricated on pure aluminium by plasma electrolytic oxidation (PEO) in three kinds of electrolyte systems [E1: 0.05M NaOH+0.033M Na 2 SiO 3 , E2: 0.025M NaOH+0.008M (NaPO 3 ) 6 and E3: 0.025M NaOH+0.066M Na 2 SiO 3 +0.008M (NaPO 3 ) 6 ]. The voltage–time responses show that the PEO process of E2 h…
Abstract Reticular nickel microwires assembled from different‐shaped building blocks are fabricated by a simple, one‐pot method in the absence of any surfactants or external magnetic field. The synthetic process involves the chemical reduction of a nickel complex with hydrazine under controlled reaction conditions. Ou…
Nuclear quadrupole resonance (NQR) experiments were performed on glassy ${\mathrm{As}}_{x}{\mathrm{Se}}_{1\ensuremath{-}x}$ to study the local structural order. The bonding in ${\mathrm{As}}_{x}{\mathrm{Se}}_{1\ensuremath{-}x}$ is governed by preferential bonding (chemical ordering) between arsenic and selenium at ars…
In this paper, the influence of energy recuperation on the efficiency of a solid oxide fuel cell (SOFC) power system is studied with the GCTool software developed by the American Argonne National Laboratory (ANL). The recuperative energies include partial recycled air exhausted from cathode side, recirculated fuel and…
Chemical reactions have been induced in condensed acetaldehyde by exposure to low-energy electrons as demonstrated by use of high-resolution electron energy loss (HREEL) spectroscopy and thermal desorption spectroscopy (TDS). The HREEL spectra show that the acetaldehyde film is modified significantly when the incident…
The evaluation of uncertainties in doses from intakes of radionuclides is one of the most difficult problems in internal dosimetry. In this paper, the process of assessing internal doses from monitoring measurements is reviewed and the major sources of uncertainty are discussed. Methods developed independently at HPA…
A brief description of the basic spectroscopic properties of Tm3+-doped 20Ge-5Ga-10Sb-65S (GeGaSbS) glass is presented. Spontaneous-emission probabilities, radiative lifetimes, branching ratios, and quantum efficiency of Tm3+ in GeGaSbS glass are evaluated by use of Judd-Ofelt theory. Lifetime measurements are carried…
Zinc oxide (ZnO) single crystals are grown by the modified vertical Bridgman method using a PbF 2 flux. The maximum size of the as-grown ZnO crystal is about ϕ25 mm × 5 mm. The transmittance of the as-grown ZnO crystal is more than 70% in the range of 600–800 nm and the optical band gap is estimated to be 3.21 eV. The…
Single-crystalline CdSe nanostructures with adjustable aspect ratios: starting from a cadmium chalcogenolate single-source precursor, we obtained high-quality CdSe nanostructures with aspect ratios in the range of 2−100. The application of subsequent wetting−crystallization−cooling cycles allowed a stepwise alteration…
Abstract The photoresponse of ferroelectric smectic side‐chain liquid‐crystalline (LC) polymers containing a photoisomerizable azobenzene derivative as a covalently linked photochromic side group is investigated. By static measurements in different photostationary states, the effect of trans–cis isomerization on the m…
The strong blue 476 nm cooperative upconversion luminescence of ytterbium Yb3+-Yb3+ clusters in Yb3+-doped oxyfluoride glass was studied. The strength of this luminescence was found to be about 100 times greater than that of Yb(3): zirconium, barium, lanthanum, aluminum, and sodium fluoride glass. Such a large enhance…
The dielectric constant (ϵ′) and loss factor (ϵ″) measurements have been made in pristine and 75 MeV oxygen-ion irradiated (fluences: 1.8×1011, 1.8×1012 and 1.8×1013 ions/cm2) kapton-H polyimide in the temperature region 20–240 °C at different frequencies ranging from 1 kHz–4 MHz. There is an overall decrease in ϵ′ in…
Abstract Summary: In this work the analysis of the structure orientation, morphology, relaxation time and optical properties of blown films of mLLDPE, LDPE and their blends were performed by using WAXD, SALS, AFM, DSC and rheological and haze tests. For mLLDPE film, the crystals do not present “ a ”‐axis orientation a…
The infrared optical properties and absorption spectra of the melilite solid solution series are reported. Melilite is a high-temperature condensate, and is expected to condense during the early phase of the condensation sequence. In this study, samples of the melilite solid solution series were newly synthesized betw…