Search results for "element"
showing 10 items of 13601 documents
Dental calculus is not equivalent to bone collagen for isotope analysis: a comparison between carbon and nitrogen stable isotope analysis of bulk den…
2014
Palaeodietary reconstruction using the carbon and nitrogen isotope values of bone and dentine collagen is a well-established method and the biochemical processes involved are well known. Researchers have recently explored using bulk samples of dental calculus as a substitute for bone and dentine collagen in dietary analyses, because calculus can be sampled without causing damage to the teeth, and may be useful in situations where more destructive analyses are not possible, or where collagen is poorly preserved. Several questions remain about the use of bulk calculus as a source of carbon and nitrogen isotope data, however. It is not yet clear how much of an individual¿s life span dental cal…
Coligand Effects on the Field-Induced Double Slow Magnetic Relaxation in Six-Coordinate Cobalt(II) Single-Ion Magnets (SIMs) with Positive Magnetic A…
2019
Two mononuclear cobalt(II) compounds of formula [Co(dmphen)2(OOCPh)]ClO4·1/2H2O·1/2CH3OH (1) and [Co(dmbipy)2(OOCPh)]ClO4 (2) (dmphen = 2,9-dimethyl-1,10-phenanthroline, dmbipy = 6,6'-dimethyl-2,2'-bipyridine and HOOCPh = benzoic acid) are prepared and magnetostructurally investigated. Each cobalt(II) ion is six-coordinate with a distorted octahedral CoN4O2 environment. The complex cations are interlinked leading to supramolecular chains (1) and pairs (2) that grow along the crystallographic c-axis with racemic mixtures of (Δ,Λ)-Co units. FIRMS allowed us to directly measure the zero-field splitting between the two lowest Kramers doublets, which led to axial anisotropy values of 58.3 cm-1 ≤…
Determination of the glass transition temperature of poly(cyclohexyl acrylate) from oxygen permeability measurements
1993
Abstract The glass transition temperature ( T g ) of poly(cyclohexyl acrylate) (PCA) has been obtained from measurements of the oxygen permeability ( P = 0.60 barrers, T g = 23.5 ± 2.0°C) using a potentiostatic electrochemical sensor, and from the oxygen diffusion coefficient ( D = 0.12 × 10 −8 cm 2 s −1 , T g = 24.0 ± 1.8°C) by the time-lag method. A T g of 25 ± 1°C was found by differential scanning calorimetry and a T g of 25.0 ± 3.5°C was obtained from the specific volume by dilatometry. The fractional free volume ( v f ) at T g is 0.020 ± 0.002, which is slightly below (∼ 20%) most glassy polymers. A linear correlation has been observed between ln D and the reciprocal of v f , which su…
Methyl vinyl ketone+OH and methacrolein+OH oxidation reactions: a master equation analysis of the pressure- and temperature-dependent rate constants.
2006
High-level electronic structure calculations and master equation analyses were carried out to obtain the pressure- and temperature-dependent rate constants of the methyl vinyl ketone+OH and methacrolein+OH reactions. The balance between the OH addition reactions at the high-pressure limit, the OH addition reactions in the fall-off region, and the pressure-independent hydrogen abstractions involved in these multiwell and multichannel systems, has been shown to be crucial to understand the pressure and temperature dependence of each global reaction. In particular, the fall-off region of the OH addition reactions contributes to the inverse temperature dependence of the rate constants in the Ar…
Diffusion of oxygen in nickel: A variable charge molecular dynamics study
2010
Abstract Variable charge molecular dynamics have been performed to study the diffusion mechanisms of oxygen atoms (O) in nickel (Ni) in the temperature range 950 K–1600 K. It is observed that oxygen does not diffuse via jumps of oxygen through interstitial sites but via a vacancy diffusion mechanism. The oxygen diffusivity can be well described by an Arrhenius law over the temperature range considered. The oxygen diffusion coefficient has been analysed and indicates a value of E a = 1.99 eV for the activation energy and D 0 = 39.2 cm 2 s − 1 for the pre-exponential factor. Our numerical results were compared with a compilation of experimental and theoretical studies, and exhibit a good agre…
Temperature dependence of the rate constant of hydrogen isotope interactions with a lithium capillary-porous system under reactor irradiation
2013
Abstract Experiments with a sample of a lithium capillary-porous system (CPS) were performed at the reactor IVG-1.M of the Institute of Atomic Energy NNC RK to study the effects of neutron irradiation on the parameters of hydrogen isotope interactions with a lithium CPS. The absorption technique was used during the experiments, and this technique allowed the temperature dependences of the hydrogen isotope interaction rate constants with the lithium CPS to be obtained under various reactor powers. The obtained dependencies were used to determine the main interaction parameters: the activation energies and the pre-exponents of the Arrhenius dependence of the hydrogen interaction rate constant…
Retention of Pb isotopes in glass surfaces for retrospective assessment of radon exposure
2006
Abstract In recent years there has been increasing interest in radio-epidemiological techniques to retrospectively measure the radon dose exposure by determining the activity of 210Pb, the longest-lived 222Rn progeny, in glass surface layers. In this study the diffusion of 39 keV 209Pb+ ions implanted into glass using the IGISOL facility has been studied under conditions that mimic the recoil implantation of 210Pb from 222Rn. The resulting depth distributions of 209Pb were then measured after heat treatment in vacuum at different temperatures by a sputter erosion technique. The diffusion coefficient could be described by an Arrhenius equation D = D0exp(−H/kT) where D 0 = 0.30 - 0.24 + 1.14 …
The effects of Pr3+ doping on the dielectric and photoluminescence properties of BaTi0.9(Yb0.5Nb0.5)0.1O3 ceramic
2019
Abstract The praseodymium Pr3+ doped BaTi0.9(Yb0.5Nb0.5)0.1O3 (BTYN01) ceramic, under low concentration (0.1%), was prepared by a conventional ceramic fabrication technique and its phase structure, microstructure, dielectric, vibrational and photoluminescence (PL) properties was studied. Both X-ray diffraction (XRD) and Raman studies confirmed the incorporation of Pr3+ into A-site lattice of BTYN01. The structure of Ba0.9985Pr0.001□0.0005Ti0.9(Yb0.5Nb0.5)0.1O3 (BTYN01-Pr) shows the coexistence of Pm 3 ¯ m -cubic symmetry (∼10%) and P4mm-tetragonal symmetry (∼90%) at room temperature. The dielectric study reveals that the maximum of the dielectric constant of BTYN01-Pr occurred at 283 K. The…
Irradiation induced Germanium Lone Pair Centers in Ge-doped Sol-gel SiO2: luminescence lifetime and temperature dependence
2010
We studied the temperature dependence of the emission profile and of the lifetime, measured at 4.3 eV, related to the germanium lone pair centers (GLPC) induced by gamma ray at 5 MGy in a Ge-doped silica sample and in an analogous sample irradiated at 10 MGy, in which by a successive thermal treatment up to 415 °C the induced GLPC has been modified (named residual GLPC in the following). The measurements were recorded in the temperature range 10-300 K using an excitation of ∼5.2 eV. The data show that the energy level scheme of the induced and the residual GLPC is very similar to that of the native defects generated during the synthesis, and the intersystem crossing process (ISC) of the ind…
Data mining, dashboards and statistics: a powerful framework for the chemical design of molecular nanomagnets
2021
Abstract Three decades of intensive research in molecular nanomagnets have brought the magnetic memory in molecules from liquid helium to liquid nitrogen temperature. The enhancement of this operational temperature relies on a wise choice of the magnetic ion and the coordination environment. However, serendipity, oversimplified theories and chemical intuition have played the main role. In order to establish a powerful framework for statistically driven chemical design, we collected chemical and physical data for lanthanide-based nanomagnets to create a catalogue of over 1400 published experiments, developed an interactive dashboard (SIMDAVIS) to visualise the dataset, and applied inferentia…