9 research outputs found
Lattice dynamics and electron-phonon interaction in (3,3) carbon nanotubes
We present a detailed study of the lattice dynamics and electron-phonon
coupling for a (3,3) carbon nanotube which belongs to the class of small
diameter based nanotubes which have recently been claimed to be
superconducting. We treat the electronic and phononic degrees of freedom
completely by modern ab-initio methods without involving approximations beyond
the local density approximation. Using density functional perturbation theory
we find a mean-field Peierls transition temperature of approx 40K which is an
order of magnitude larger than the calculated superconducting transition
temperature. Thus in (3,3) tubes the Peierls transition might compete with
superconductivity. The Peierls instability is related to the special 2k_F
nesting feature of the Fermi surface. Due to the special topology of the (n,n)
tubes also a q=0 coupling between the two bands crossing the Fermi energy at
k_F is possible which leads to a phonon softening at the Gamma point.Comment: 4 pages, 3 figures; to be published in Phys. Rev. Let
First-principles calculation of the thermal properties of silver
The thermal properties of silver are calculated within the quasi-harmonic
approximation, by using phonon dispersions from density-functional perturbation
theory, and the pseudopotential plane-wave method. The resulting free energy
provides predictions for the temperature dependence of various quantities such
as the equilibrium lattice parameter, the bulk modulus, and the heat capacity.
Our results for the thermal properties are in good agreement with available
experimental data in a wide range of temperatures. As a by-product, we
calculate phonon frequency and Grueneisen parameter dispersion curves which are
also in good agreement with experiment.Comment: 9 pages, 8 figures, submitted to Phys. Rev. B April 30, 1998). Other
related publications can be found at
http://www.rz-berlin.mpg.de/th/paper.htm
Review of Survey activities 2015: Monitoring of pesticide leaching from cultivated fields in Denmark
Ageing of atrazine in manure amended soils assessed by bioavailability to Pseudomonas sp. strain ADP
Animal manure is applied to agricultural land in areas of high livestock production. In the present study, we evaluated ageing of atrazine in two topsoils with and without addition of manure and in one subsoil. Ageing was assessed as the bioavailability of atrazine to the atrazine mineralizing bacteria Pseudomonas sp. strain ADP. Throughout an ageing period of 90 days bioavailability was investigated at days 1, 10, 32, 60 and 90, where ~108 cells g−1 of the ADP strain was inoculated to the 14C-atrazine exposed soil and 14CO2 was collected over 7 days as a measure of mineralized atrazine. Even though the bioavailable residue decreased in all of the three soils as time proceeded, we found that ageing occurred faster in the topsoils rich in organic carbon than in subsoil. For one topsoil rich in organic carbon content, Simmelkær, we observed a higher degree of ageing when treated with manure. Contrarily, sorption experiments showed less sorption to Simmelkær treated with manure than the untreated soil indicating that sorption processes are not the only mechanisms of ageing. The other topsoil low in organic carbon content, Ringe, showed no significant difference in ageing between the manure-treated and untreated soil. The present study illustrates that not simply the organic carbon content influences adsorption and ageing of atrazine in soil but the origin and composition of organic matter plays an important role
Differentiated free-living and sediment-attached bacterial community structure inside and outside denitrification hotspots in the river–groundwater interface.
This study assessed the functional significance of attached and free-living bacterial communities involved in the process of denitrification in a shallow aquifer of a riparian zone (Garonne River, SW France). Denitrification enzyme activity (DEA), bacterial density (BD) and bacterial community composition (BCC) were measured in two aquifer compartments: the groundwater and the sandy fraction of the sediment deposit. Samples were collected in wells located inside (IHD) and outside (OHD) identified hotspots of denitrification. Despite high BD values (up to 1.14 × 1012 cells m−3), DEA was not detected in the water compartment (< 0.32 mg N–N2O m−3 d−1). The sandy fraction showed detectable DEA (up to 1,389 mg N–N2O m−3 d−1) and, consistent with BD pattern, higher DEA values were measured in IHD zones than in OHD zones. The BCC assessed by 16S rDNA polymerase chain reaction-denaturing gradient gel electrophoresis (PCR-DGGE) partly supported this result: attached and free-living communities were significantly different (< 30% similarity) but patterns of BCC did not cluster according to IHD and OHD zones. Targeting the denitrifying communities by means of a culture enrichment step prior to 16S rDNA PCR-DGGE showed that the free-living and sediment attached communities differed. Most sequences obtained from DGGE profiles of denitrifying communities were affiliated to Proteobacteria and showed low genetic distance with taxa that have already been detected in aquifers (e.g., Azoarcus sp., Acidovorax sp. and Pseudomonas spp.). This study confirms that in the aquifer the sediment-attached fraction exhibits different functions (DEA) from free-living communities and suggests that this functional difference is related to the communities’ structure