Search results for " method"
showing 10 items of 10455 documents
Analysis of non-uniform torsion in curved incrementally launched bridges
2014
Abstract Incremental launching is a common and convenient methodology to build continuous girder bridges on several piers. Although it has mainly been applied to straight bridges with box sections, today it is also used for construction of horizontally curved bridges with concrete and composite steel–concrete closed or open sections like I-girders. In these cases the contribution of torsion to the stress state becomes of primary importance when the construction stages of these bridges are analysed. Moreover, the presence of thin-walled cross-sections, makes the analysis of non-uniform torsion fundamental when the angle of twist per unit length is not constant or warping is prevented in thos…
Effect of pH and nitrite concentration on nitrite oxidation rate
2011
The effect of pH and nitrite concentration on the activity of the nitrite oxidizing bacteria (NOB) in an activated sludge reactor has been determined by means of laboratory batch experiments based on respirometric techniques. The bacterial activity was measured at different pH and at different total nitrite concentrations (TNO 2). The experimental results showed that the nitrite oxidation rate (NOR) depends on the TNO 2 concentration independently of the free nitrous acid (FNA) concentration, so FNA cannot be considered as the real substrate for NOB. NOB were strongly affected by low pH values (no activity was detected at pH 6.5) but no inhibition was observed at high pH values (activity wa…
On the photophysics and photochemistry of the water dimer
2012
The photochemistry of the water dimer irradiated by UV light is studied by means of the complete active space perturbation theory//complete active space self-consistent field (CASPT2//CASSCF) method and accurate computational approaches like as minimum energy paths. Both electronic structure computations and ab initio molecular dynamics simulations are carried out. The results obtained show small shifts relative to a single water molecule on the vertical excitation energies of the dimer due to the hydrogen bond placed between the water donor (W(D)) and the water acceptor (W(A)). A red-shift and a blue-shift are predicted for the W(D) and W(A), respectively, supporting previous theoretical a…
Accurate molecular geometries of the protonated water dimer
2000
The equilibrium geometry of the protonated water dimer, H5O2+, was studied using Moller–Plesset perturbation theory and coupled-cluster theory. Constrained geometry optimizations were carried out for the C2 and Cs symmetric structures within the counterpoise framework and near the limit of a complete basis set. In the constrained optimization, the degrees of freedom of the complex are reduced to an intrafragmental distortion and an interfragmental coordinate, making the procedure tractable for large basis sets and explicitly correlated linear r12 methods. The energy of the stationary point of C2 symmetry was found to be 1.2 kJ mol−1 below the energy of the Cs structure.
An assessment of the BEST procedure to estimate the soil water retention curve: A comparison with the evaporation method
2018
The Beerkan Estimation of Soil Transfer parameters (BEST) procedure is an attractive, easy, robust, and inexpensive way for a complete soil hydraulic characterization but testing the ability of this procedure to estimate the water retention curve is necessary as relatively little information is available in the literature. In this investigation the soil water retention curve was predicted for four differently textured soils by applying three existing BEST algorithms (i.e., slope, intercept and steady) and the results compared with those measured by the standard Wind evaporation method. A sensitivity analysis of the infiltration constants, beta and gamma, was also carried out and their impac…
An Evaluation Matrix to Compare Computer Hydrological Models for Flood Predictions
2020
In order to predict and control the impacts of floods in torrents, it is important to verify the simulation accuracy of the most used hydrological models. The performance verification is particularly needed for applications in watersheds with peculiar climatic and geomorphological characteristics, such as the Mediterranean torrents. Moreover, in addition to the accuracy, other factors affect the choice of software by stakeholders (users, modellers, researchers, etc.). This study introduces a &ldquo
OpenMolcas: From Source Code to Insight
2019
In this article we describe the OpenMolcas environment and invite the computational chemistry community to collaborate. The open-source project already includes a large number of new developments realized during the transition from the commercial MOLCAS product to the open-source platform. The paper initially describes the technical details of the new software development platform. This is followed by brief presentations of many new methods, implementations, and features of the OpenMolcas program suite. These developments include novel wave function methods such as stochastic complete active space self-consistent field, density matrix renormalization group (DMRG) methods, and hybrid multico…
Real-time acquisition of complex optical fields by binary amplitude modulation
2017
We describe, through simulations and experiments, a real-time wavefront acquisition technique using random binary amplitude masks and an iterative phase retrieval algorithm based on the Fresnel propagator. By using a digital micromirror device, it is possible to recover an unknown complex object by illuminating with this set of masks and simultaneously recording the resulting intensity patterns with a high-speed camera, making this technique suitable for dynamic applications.
Wave propagation in anisotropic turbulent superfluids
2013
In this work, a hydrodynamical model of Superfluid Turbulence previously formulated is applied to study how the presence of a non-isotropic turbulent vortex tangle modifies the propagation of waves. Two cases are considered: wave front parallel and orthogonal to the heat flux. Using a perturbation method, the first-order corrections due to the presence of the vortex tangle to the speeds and to the amplitudes of the first and second sound are determined. It is seen that the presence of the quantized vortices couples first and second sound, and the attenuation of second sound is proportional to the line density L if the wave propagates orthogonal to the heat flux, while it is proportional to …
Improving the transmittance of an epsilon-near-zero-based wavefront shaper
2016
Although Epsilon-Near-Zero metamaterials (ENZ) offer many unconventional ways to play with light, the optical impedance mismatch with surroundings can limit the efficiency of future devices. We report here on the improvement of the transmittance of an Epsilon-Near-Zero (ENZ) wavefront shaper. We first address in this paper the way to enhance the transmittance of a plane wave through a layer of ENZ material thanks to a numerical optimization approach based on the Transfer Matrix Method. We then transpose the one dimensional approach to a two dimensional case where the emission of a dipole is shaped into a plane wave by an ENZ device with a design that optimizes the transmittance. As a result…