Recent developments in the line-by-line modeling of outgoing longwave radiation

High frequency resolution radiative transfer model calculations with the Atmospheric Radiative Transfer Simulator (ARTS) were used to simulate the clear-sky outgoing longwave radiative flux (OLR) at the top of the atmosphere. Compared to earlier calculations by Clough and coworkers the model used a spherical atmosphere instead of a plane parallel atmosphere, updated spectroscopic parameters from HITRAN, and updated continuum parameterizations from Mlawer and coworkers. These modifications lead to a reduction in simulated OLR by approximately 4.1%, the largest part, approximately 2.5%, being due to the absence of the plane parallel approximation. As a simple application of the new model, the sensitivity of OLR to changes in humidity, carbon dioxide concentration, and temperature were investigated for different cloud-free atmospheric scenarios. It was found that for the tropical scenario a 20% change in humidity has a larger impact than a doubling of the carbon dioxide concentration. The sensitive altitude region for temperature and humidity changes is the entire free troposphere, including the upper troposphere where humidity data quality is poor.     

Isospin symmetry breaking in ρ→πγ decay

In terms of effective field theory and mixed-propagator approach, we show that there is a larger hidden effect of isospin breaking in ρ→πγ decay due to a ω exchange, ρ→ω→πγ. The branching ratio is predicted as B(ρ→πγ) = (11.67±2.0)×10^-4, which is much larger than Particle Data Group's datum (6.8±1.7)×10^-4 and one of charged mode, B(ρ^±→π^±γ) = (4.5±0.5)×10^-4. Received: 7 January 2002 / Accepted: 2 April 2002     

Change of electrostatic potential of mean force between two curved surfaces due to different salt composition,ion valence and size under certain ionic strength

Change of an electrostatic potential of mean force (EPMF) between two cylindrical rod surfaces with salt composition, ion valence, and ion size at a constant ionic strength of 0.3 M is studied by a classical density functional theory (CDFT) in a primitive model electrolyte solution. Several novel observations are made: (i) strength of a so-called like charge attraction (LCA) reduces in an invariable manner with the salt solution changing from single 2:1 electrolyte to mixture of 2:1 and 1:1 type electrolytes of varying concentration ratios; the change is even over entire range of the composition variation under low surface charge strength, and tends to be insensitive to the composition variation in the presence of the divalent counter-ion, and more and more drastic at a critical point the divalent counter-ion disappears, respectively, as the surface charge strength becomes big enough. (ii) Both monovalent counter-ion and co-ion diameters have only a marginal effect on both the LCA strength and equilibrium distance, and the former “abnormally” affects less than the latter. (iii) Depending on the surface charge strength considered, the divalent counter-ion diameter influences the LCA strength in solution comprised of 2:1 type and 1:1 type electrolytes, monotonously or non-monotonously. All of these findings provide forceful support for a recently proposed hydrogen-bonding style mechanism explaining the LCA.     

Thermal evolution of the first stage Cs(THF)1.75C24 graphitide,an example of segregation and decorrelation at low temperature

The thermal variation of the first stage ternary compound Cs(THF)_1.75C₂₄ has been investigated by powder neutron diffraction. Two phase transitions have been observed. The first one occurs at 248 K and can be interpreted as a three-dimensional segregation within the graphitic host. The second one starts at about 180 K and is continuous down to 50 K. This corresponds to a decorrelation of the graphen planes at low temperature. The origin of this transition could be the elastic constraint due to the kinks of the planes.     

Study of natural diamonds by dynamic nuclear polarization-enhanced C nuclear magnetic resonance spectroscopy

The results of a study of two types of natural-diamond crystals by dynamic nuclear polarization (DNP)-enhanced high-resolution solid-state ¹³C nuclear magnetic resonance (NMR) are reported. The home-built DNP magic-angle spinning (MAS) ¹³C NMR spectrometer operates at 54 GHz for electrons and 20.2 MHz for carbons. The power of the microwave source was about 30 W and the highest DNP enhancement factor came near to 10³. It was shown that in the MAS spectra the ¹³C NMR linewidths of the I_b-type diamond were broader than those of I_aB3-type diamond. From the hyperfine structure of the DNP enhancement as a function of frequency, four kinds of nitrogen-centred and one kind of carbon-centred free radicals could be identified in the I_b-type diamond. The hyperfine structures of the DNP enhancement curve that originated from the anisotropic hyperfine interaction between electron and nuclei could be partially averaged out by MAS. The ¹³C polarization time of DNP was rather long, i.e. 1500 s, and the spin—lattice relaxation time (without microwave irradiation) was about 300 s, which was somewhat shorter than anticipated. Discussions on these experimental results have been made in this report.     

Combustibles,fuels and their combustion products: A view through carbon isotopes

Stable (i.e. non-radioactive) carbon-isotope composition (δ¹³C) in fuels has been extensively used as an indicator of the processes leading to the generation of their parent crude-oil. With the example of those used in Paris (France), this preliminary study isotopically characterizes fuels and combustibles, as well as the isotopic relations existing with their combustion by-products, i.e. gases (CO₂) and particles (bulk carbon). Results show that δ¹³C in fuels is clearly related to their physical state, with natural gas being strongly depleted in ¹³C while coal yields the highest δ¹³C, and liquid fuels display intermediate values. This relation is also valid for combustion gases, although δ¹³C values of combustion particles form a homogeneous range within which no clear distinction is observed. Combustion processes are accompanied by carbon-isotope fractionation (noted Δ¹³C) resulting from the combustion being incomplete. Carbon-isotope fractionation is strictly negative (Δ¹³C = ?1.3‰) during the formation of combustion gases, but generally positive in particle formation even if values close to zero are observed. Using simple mixing equations for describing the closed system formed by fuel, CO₂ and carbonaceous particles, we discuss the carbon budget for spark-ignition (unleaded gasoline) and diesel engines. Stable carbon isotopes corroborate the already-proved superior efficiency of diesel combustion mode compared with spark ignition, as carbon is preferentially transformed into CO₂.     

Molecular dynamics simulation of phase transition in AgNO3

Structural phase transition in AgNO₃ at high temperature is simulated by molecular dynamics. The simulations are based on the potentials calculated from the Gordon-Kim modified electron-gas formalism extended to molecular ionic crystals. AgNO₃ transforms into rhombohedral structure at high temperature and the phase transition is associated with the rotations of the NO₃ ions and displacements of the NO₃ and Ag ions.     

Effect of AgNO3 additive/doping on microstructure and superconductivity of the Pb doped Hg: 1223 thin film prepared through spray pyrolysis

We report successful fabrication of Ag doped Hg:1223 films by reacting Ba₂Ca_2.3Cu_3.3O_z(Ag_y): y=0, 0.02, 0.025, 0.05, 0.1 and 0.2 precursors deposited by spray pyrolysis on SrTiO₃ (100) substrates, in controlled Hg+Pb ambient, in an evacuated sealed quartz tube at 820 °C for 4 h. The effects of AgNO₃ addition on the superconducting properties of Hg/(Pb):1223 films are studied. The addition of low concentration of silver e.g. y≈0.025 results in a slight increase in T_c (R=0) from 125 to 126 K and the dc critical current density (J_c) decreases with the increasing Ag in Hg(Pb):1223 (Ag_y) films. The microstructural details exhibit the curious characteristics of spiral like features for lower concentrations of silver i.e. up to y=0.05. These improvements are believed to be due to the liberation of oxygen through the dissociation of AgNO₃ at higher temperature and passivation of weak link effects through the segregation of silver at these grain boundaries. The addition of silver content y≥0.05 resulted in the decrease in transition temperature. The J_c is observed to decrease steadily with increasing Ag content. The microstructural features, e.g. spiral are also found to deteriorate with increasing silver content. The deterioration in superconducting properties at high Ag content is believed to be mainly due to the formation of Ag-Hg amalgam.     

Band structure calculations on the layered compounds FeGa2S4 and NiGa2S4

For the compounds FeGa₂S₄ and NiGa₂S₄ band structure calculations have been performed by the ab initio plane wave pseudo-potential method. The valence charge density distribution points to an ionic type of chemical bonding between the transition metal atoms and the ligand atoms. Two models for the pseudo-potentials are used to calculate the band structures: (a) only s and p electrons and (b) also the d-shells of the transition metal atoms are included in the pseudo-potentials. The differences between these two cases of band structures are discussed. Energy gap formation peculiarities are analysed for both crystals. Zak's elementary energy band concept is demonstrated for the energy spectra of the considered crystals.