A perturbation approach to coherent propagation of energetic charged particles in random magnetic fields

The Fokker-Planck equation describing the propagation of charged particles in magnetic fields that consist of a dominant constant guiding field and superposed random fluctuations is solved by applying the perturbation method of dividing the total particle density into an averaged isotropic and a small anisotropic component. A particle transport equation is derived which describes the 'coherent' propagation of a particle pulse whose center moves at half the constant total particle velocity in either the positive or negative direction. The range of validity of the coherent solution is examined, and the general formulas for coherent propagation are applied to the slab, isotropic, and Alfven-wave models of magnetic-field fluctuations. Ranges of magnetic-fluctuation spectral indices are identified over which diffusive and coherent particle-transport modes can exist in the three models considered

Linear response separation of a solid into atomic constituents: Li, Al, and their evolution under pressure

We present the first realization of the generalized pseudoatom concept introduced by Ball, and adopt the name enatom to minimize confusion. This enatom, which consists of a unique decomposition of the total charge density (or potential) of any solid into a sum of overlapping atomiclike contributions that move rigidly with the nuclei to first order, is calculated using (numerical) linear response methods, and is analyzed for both fcc Li and Al at pressures of 0, 35, and 50 GPa. These two simple fcc metals (Li is fcc and a good superconductor in the 20-40 GPa range) show different physical behaviors under pressure, which reflects the increasing covalency in Li and the lack of it in Al. The nonrigid (deformation) parts of the enatom charge and potential have opposite signs in Li and Al; they become larger under pressure only in Li. These results establish a method of construction of the enatom, whose potential can be used to obtain a real-space understanding of the vibrational properties and electron-phonon interaction in solids.Comment: 13 pages, 9 figures, 1 table, V2: fixed problem with Fig. 7, V3: minor correction

Boron Fullerenes: A First-Principles Study

A family of unusually stable boron cages was identified and examined using first-principles local density functional method. The structure of the fullerenes is similar to that of the B12 icosahedron and consists of six crossing double-rings. The energetically most stable fullerene is made up of 180 boron atoms. A connection between the fullerene family and its precursors, boron sheets, is made. We show that the most stable boron sheets are not necessarily precursors of very stable boron cages. Our finding is a step forward in the understanding of the structure of the recently produced boron nanotubes.Comment: 10 pages, 4 figures, 1 tabl

Temperature dependence of the energy dissipation in dynamic force microscopy

The dissipation of energy in dynamic force microscopy is usually described in terms of an adhesion hysteresis mechanism. This mechanism should become less efficient with increasing temperature. To verify this prediction we have measured topography and dissipation data with dynamic force microscopy in the temperature range from 100 K up to 300 K. We used 3,4,9,10-perylenetetracarboxylic-dianhydride (PTCDA) grown on KBr(001), both materials exhibiting a strong dissipation signal at large frequency shifts. At room temperature, the energy dissipated into the sample (or tip) is 1.9 eV/cycle for PTCDA and 2.7 eV/cycle for KBr, respectively, and is in good agreement with an adhesion hysteresis mechanism. The energy dissipation over the PTCDA surface decreases with increasing temperature yielding a negative temperature coefficient. For the KBr substrate, we find the opposite behaviour: an increase of dissipated energy with increasing temperature. While the negative temperature coefficient in case of PTCDA agrees rather well with the adhesion hysteresis model, the positive slope found for KBr points to a hitherto unknown dissipation mechanism

Diameter-Selective Dispersion of Carbon Nanotubes via Polymers: A Competition between Adsorption and Bundling

The mechanism of the selective dispersion of single-walled carbon nanotubes (CNTs) by polyfluorene polymers is studied in this paper. Using extensive molecular dynamics simulations, it is demonstrated that diameter selectivity is the result of a competition between bundling of CNTs and adsorption of polymers on CNT surfaces. The preference for certain diameters corresponds to local minima of the binding energy difference between these two processes. Such minima in the diameter dependence occur due to abrupt changes in the CNT's coverage with polymers and their calculated positions are in quantitative agreement with preferred diameters, reported experimentally. The presented approach defines a theoretical framework for the further understanding and improvement of dispersion/extraction processes.Comment: 22 pages, 5 figures, ACS Nano (2015

Broad boron sheets and boron nanotubes: An ab initio study of structural, electronic, and mechanical properties

Based on a numerical ab initio study, we discuss a structure model for a broad boron sheet, which is the analog of a single graphite sheet, and the precursor of boron nanotubes. The sheet has linear chains of sp hybridized sigma bonds lying only along its armchair direction, a high stiffness, and anisotropic bonds properties. The puckering of the sheet is explained as a mechanism to stabilize the sp sigma bonds. The anisotropic bond properties of the boron sheet lead to a two-dimensional reference lattice structure, which is rectangular rather than triangular. As a consequence the chiral angles of related boron nanotubes range from 0 to 90 degrees. Given the electronic properties of the boron sheets, we demonstrate that all of the related boron nanotubes are metallic, irrespective of their radius and chiral angle, and we also postulate the existence of helical currents in ideal chiral nanotubes. Furthermore, we show that the strain energy of boron nanotubes will depend on their radii, as well as on their chiral angles. This is a rather unique property among nanotubular systems, and it could be the basis of a different type of structure control within nanotechnology.Comment: 16 pages, 17 figures, 2 tables, Versions: v1=preview, v2=first final, v3=minor corrections, v4=document slightly reworke

Simulation of Temperature Extremes Over West Africa With MPAS

A large ensemble of 51 simulations with the Model for Prediction Across Scales (MPAS) has been applied to assess its ability to reproduce extreme temperatures and heat waves in the area of West Africa. With its global approach the model avoids transition errors influencing the performance of limited area climate models. The MPAS simulations were driven with sea surface temperature (SST) and sea ice extent as the only boundary condition. The results reveal moderate cold biases in the range from −0.6° to −0.9°C for the daily mean temperature and −1.2° to −2.0°C for the area mean of the daily maximum temperature. The bias in the number of tropical nights ranges from +3 to −10 days. An underestimation by up to 50% is also present regarding the number of summer days. The heat wave duration index is underestimated regionally by 10%–60%. MPAS simulations are generally closer to the reanalysis results than they are to the observational reference. The results from long term runs and from short term runs with selected SST years are similar. Shortcomings in the reproduction of the temperature and precipitation indices found in the present investigation indicate that the global MPAS approach does provide a fidelity similar to that of the regional climate models

Exploring the potential of the cost-efficient tahmo observation data for hydro-meteorological applications in sub-saharan africa

The Trans-African Hydro-Meteorological Observatory (TAHMO) is a promising initiative aiming to install 20,000 stations in sub-Saharan Africa counteracting the decreasing trend of available measuring stations. To achieve this goal, it is particularly important that the installed weather stations are cost-efficient, appropriate for African conditions, and reliably measure the most important variables for hydro-meteorological applications. Since there exist no performance studies of TAHMO stations while operating in Africa, it is necessary to investigate their performance under different climate conditions. This study provides a first analysis of the performance of 10 selected TAHMO stations across Burkina Faso (BF). More specifically, the analysis consists of missing value statistics, plausibility tests of temperature (minimum, maximum) and precipitation, spatial dependencies (correlograms) by comparison with daily observations from synoptical stations of the BF meteorological service as well as cross-comparison between the TAHMO stations. Based on the results of this study for BF for the period from May 2017 to December 2020, it is concluded that TAHMO potentially offers a reliable and cost-efficient solution for applications in hydro-meteorology. The usage of wind speed measurements cannot be recommended without reservation, at least not without bias correcting of the data. The limited measurement period of TAHMO still prevents its usability in climate (impact) research. It is also stressed that TAHMO cannot replace existing observation networks operated by the local meteorological services, but it can be a complement and has great potential for detailed spatial analyses. Since restricted to BF in this analysis, more evaluation studies of TAHMO are needed considering different environmental and climate conditions across SSA