Uncertainty in the determination of soil hydraulic parameters and its influence on the performance of two hydrological models of different complexity

Data of soil hydraulic properties forms often a limiting factor in unsaturated zone modelling, especially at the larger scales. Investigations for the hydraulic characterization of soils are time-consuming and costly, and the accuracy of the results obtained by the different methodologies is still debated. However, we may wonder how the uncertainty in soil hydraulic parameters relates to the uncertainty of the selected modelling approach. We performed an intensive monitoring study during the cropping season of a 10 ha maize field in Northern Italy. The data were used to: i) compare different methods for determining soil hydraulic parameters and ii) evaluate the effect of the uncertainty in these parameters on different variables (i.e. evapotranspiration, average water content in the root zone, flux at the bottom boundary of the root zone) simulated by two hydrological models of different complexity: SWAP, a widely used model of soil moisture dynamics in unsaturated soils based on Richards equation, and ALHyMUS, a conceptual model of the same dynamics based on a reservoir cascade scheme. We employed five direct and indirect methods to determine soil hydraulic parameters for each horizon of the experimental profile. Two methods were based on a parameter optimization of: a) laboratory measured retention and hydraulic conductivity data and b) field measured retention and hydraulic conductivity data. The remaining three methods were based on the application of widely used Pedo-Transfer Functions: c) Rawls and Brakensiek, d) HYPRES, and e) ROSETTA. Simulations were performed using meteorological, irrigation and crop data measured at the experimental site during the period June – October 2006. Results showed a wide range of soil hydraulic parameter values generated with the different methods, especially for the saturated hydraulic conductivity Ksat and the shape parameter a of the van Genuchten curve. This is reflected in a variability of the modeling results which is, as expected, different for each model and each variable analysed. The variability of the simulated water content in the root zone and of the bottom flux for different soil hydraulic parameter sets is found to be often larger than the difference between modeling results of the two models using the same soil hydraulic parameter set. Also we found that a good agreement in simulated soil moisture patterns may occur even if evapotranspiration and percolation fluxes are significantly different. Therefore multiple output variables should be considered to test the performances of methods and model

Some Remarks on the Question of Charge Densities in Stationary-Current-Carrying Conductors

Recently, some discussions arose as to the definition of charge and the value of the density of charge in stationary-current-carrying conductors. We stress that the problem of charge definition comes from a misunderstanding of the usual definition. We provide some theoretical elements which suggest that positive and negative charge densities are equal in the frame of the positive ions.Comment: 14 pages, TeX, macro newsym.tex include

Lattice instabilities of PbZrO3/PbTiO3 [1:1] superlattices from first principles

Ab initio phonon calculations for the nonpolar reference structures of the (001), (110), and (111) PbZrO_3/PbTiO_3 [1:1] superlattices are presented. The unstable polar modes in the tetragonal (001) and (110) structures are confined in either the Ti- or the Zr-centered layers and display two-mode behavior, while in the cubic (111) case one-mode behavior is observed. Instabilities with pure oxygen character are observed in all three structures. The implications for the ferroelectric behavior and related properties are discussed.Comment: 12 pages, 2 figures, 7 tables, submitted to PR

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

An efficient k.p method for calculation of total energy and electronic density of states

An efficient method for calculating the electronic structure in large systems with a fully converged BZ sampling is presented. The method is based on a k.p-like approximation developed in the framework of the density functional perturbation theory. The reliability and efficiency of the method are demostrated in test calculations on Ar and Si supercells

On the propagation of electromagnetic radiation in the field of a plane gravitational wave

The propagation of free electromagnetic radiation in the field of a plane gravitational wave is investigated. A solution is found one order of approximation beyond the limit of geometrical optics in both transverse--traceless (TT) gauge and Fermi Normal Coordinate (FNC) system. The results are applied to the study of polarization perturbations. Two experimental schemes are investigated in order to verify the possibility to observe these perturbations, but it is found that the effects are exceedingly small.Comment: 13 pages; revtex; accepted for publication in Class. Quantum Gra

THREE-DIMENSIONAL SPORT MOVEMENT ANALYSIS BY MEANS OF FREE FLOATING TV CAMERAS WITH VARIABLE OPTICS

INTRODUCTION: Video analysis and off-line manual digitalization is usually used for 2-D and 3-D studies of human movement in sport science. The main advantage of this approach, with respect to the recourse to opto-electronic automatic motion analyzers, is the high flexibility in system set-up, the avoidance of marking procedures and the possibility of successful operation in a wide range of environmental situations. Such features turn out to be particularly important for recordings to be performed in the frame of high-level competition, when the experimental set-up must be adapted to a pre-defined competitive environment, without interfering with the performances of the athletes. However, when methods proper to conventional close-range photogrammetry are used, most of the advantages offered by the flexibility of video analysis are not obtained. Particularly critical is the restriction of the useful calibrated volume to the field of view made possible by fixed pairs of TV cameras. In this case the useful sequence of images (where the dimension of the acquired subject allows one to limit macroscopic digitalization errors) is often insufficient for the analysis of a complete movement cycle. This limitation hinders a fruitful application of video analysis in the frame of sport activities (alpine and Nordic skiing, swimming, track and field) in which the execution of the particular technical movement is performed within a large physical space. A solution to the problem is proposed based on the use of free moving and zooming cameras. The corresponding dedicated software for repeated calibration based on Direct Linear Transformation (DLT)(Abdel Aziz and Karara, 1971) is described. Results of recording performed in the laboratory are discussed aiming at the validation of the implemented method. The description of the methodology for the recording of sport activities and the presentation of the related results confirm the operational feasibility of the proposed method and the reliability of the resulting quantitative kinematics analysis

Metallization of the C-60/Rh(100) interface revealed by valence photoelectron spectroscopy and density functional theory calculations

The electronic structure of single and multiple layers of C(60) molecules deposited on a Rh(100) surface is investigated by means of valence photoemission spectroscopy and density functional theory calculations. The binding of the fullerene monolayer to the metal surface yields the appearance of a new state in the valence band spectrum crossing the Fermi level. Insight into the metallization of the metal/fullerene interface is provided by the calculated electronic structure that allows us to correlate the measured interface state with a strong hybridization between the Rh metal states and the highest and lowest molecular orbitals. This results in a net charge transfer of approximate to 0.5e-0.6e from the metal to the p states of the interfacial C atoms. The charge transfer is shown to be very short range, involving only the C atoms bound to the metal. The electronic structure of the second C(60) layer is already insulating and resembles the one measured for C(60) multilayers supported by the same substrate or calculated for fullerenes isolated in vacuum. The discussion of the results in the context of other C(60)/metal systems highlights the distinctive electronic properties of the molecule/metal interface determined by the Rh support

Ab initio studies of phonon softening and high pressure phase transitions of alpha-quartz SiO2

Density functional perturbation theory calculations of alpha-quartz using extended norm conserving pseudopotentials have been used to study the elastic properties and phonon dispersion relations along various high symmetry directions as a function of bulk, uniaxial and non-hydrostatic pressure. The computed equation of state, elastic constants and phonon frequencies are found to be in good agreement with available experimental data. A zone boundary (1/3, 1/3, 0) K-point phonon mode becomes soft for pressures above P=32 GPa. Around the same pressure, studies of the Born stability criteria reveal that the structure is mechanically unstable. The phonon and elastic softening are related to the high pressure phase transitions and amorphization of quartz and these studies suggest that the mean transition pressure is lowered under non-hydrostatic conditions. Application of uniaxial pressure, results in a post-quartz crystalline monoclinic C2 structural transition in the vicinity of the K-point instability. This structure, intermediate between quartz and stishovite has two-thirds of the silicon atoms in octahedral coordination while the remaining silicon atoms remain tetrahedrally coordinated. This novel monoclinic C2 polymorph of silica, which is found to be metastable under ambient conditions, is possibly one of the several competing dense forms of silica containing octahedrally coordinated silicon. The possible role of high pressure ferroelastic phases in causing pressure induced amorphization in silica are discussed.Comment: 17 pages, 8 figs., 8 Table