Search results for "parametrization"

On the Dependence of Cirrus Parametrizations on the Cloud Origin

2019

<p>Particle size distributions (PSDs) for cirrus clouds are important for both climate models as well as many remote sensing retrieval methods. Therefore, PSD parametrizations are required. This study presents parametrizations of Arctic cirrus PSDs. The dataset used for this purpose originates from balloon-borne measurements carried out during winter above Kiruna (Sweden), i.e. north of the Arctic circle. The observations are sorted into two types of cirrus cloud origin, either in-situ or liquid. The cloud origin describes the formation pathway of the ice particles. At temperatures below −38 °C, ice particles form in-situ from solution or ice nuclea…

Lagrangian simulations of stable isotopes in water vapor: An evaluation of nonequilibrium fractionation in the Craig-Gordon model

2009

[1] The Craig-Gordon model is the basis for the parameterization of water isotope fractionation during evaporation from the ocean in many atmospheric isotope models. Its exact formulation (e.g., with respect to the nonequilibrium fractionation factor k) is mainly based on theoretical considerations and not very well constrained by observations. This study addresses this issue by combining a recently developed Lagrangian moisture source analysis with a Craig-Gordon fractionation parameterization for the identified evaporation events in order to model isotope ratios in water vapor. This technique is applied to 45 measurement days of isotopes in water vapor at Rehovot (Israel) during the years…

Toward Parametrization of Precipitating Shallow Cumulus Cloud Organization via Moisture Variance

2021

The influence of the initial vertical moisture profile on precipitating shallow cumulus cloud organization in terms of the column‐averaged moisture variance is investigated using large‐eddy simulations. Five idealized simulations based on the Rain in Cumulus over the Ocean field experiment with different initial moisture profiles are investigated. All cases simulate precipitating shallow cumulus convection in a marine sub‐tropical region under large‐scale subsidence. The results show that the moisture variance is mainly generated through the interaction of the moisture flux and the moisture gradient in the gradient production term at the top of the boundary layer. The development is charact…

Structural and spectroscopic study of the Br2...3-Br-pyridine complex by DFT calculations.

2007

Abstract The structure and the Raman vibrational spectrum of the complex Br 2 ⋯3-Br-pyridine are determined by DFT calculations using different parametrizations. The calculations are performed taking into account the effects of the dichloromethane as solvent by the CPCM method. A value of 39 kJ mol −1 for the formation enthalpy and of 1 kJ mol −1 for the formation free energy at room temperature in presence of the solvent is found. The predicted Raman spectrum is compared with the experimental one and the essential features of the spectrum are well reproduced by the B3LYP parametrization. The intensity changes of the bands when going from the free moieties to the complex are also generally …

ChPT parameters from tau-decay data

2015

Using the updated ALEPH V-A spectral function from tau decays, we determine the lowest spectral moments of the left-right correlator and extract dynamical information on order parameters of the QCD chiral symmetry breaking. Uncertainties associated with violations of quark-hadron duality are estimated from the data, imposing all known short-distance constraints on a resonance-based parametrization. Employing proper pinched weight functions, we obtain an accurate determination of the effective chiral couplings L10 and C87 and the dimension-six and -eight contributions in the Operator Product Expansion.

Analytic high-order Douglas–Kroll–Hess electric field gradients

2007

In this work we present a comprehensive study of analytical electric field gradients in hydrogen halides calculated within the high-order Douglas-Kroll-Hess (DKH) scalar-relativistic approach taking picture-change effects analytically into account. We demonstrate the technical feasibility and reliability of a high-order DKH unitary transformation for the property integrals. The convergence behavior of the DKH property expansion is discussed close to the basis set limit and conditions ensuring picture-change-corrected results are determined. Numerical results are presented, which show that the DKH property expansion converges rapidly toward the reference values provided by four-component met…

Parametrization of Sum‐Of‐Sinusoids Channel Models

2011

On a topology optimization problem governed by two-dimensional Helmholtz equation

2015

The paper deals with a class of shape/topology optimization problems governed by the Helmholtz equation in 2D. To guarantee the existence of minimizers, the relaxation is necessary. Two numerical methods for solving such problems are proposed and theoretically justified: a direct discretization of the relaxed formulation and a level set parametrization of shapes by means of radial basis functions. Numerical experiments are given.

Density-functional tight-binding for beginners

2009

This article is a pedagogical introduction to density-functional tight-binding (DFTB) method. We derive it from the density-functional theory, give the details behind the tight-binding formalism, and give practical recipes for parametrization: how to calculate pseudo-atomic orbitals and matrix elements, and especially how to systematically fit the short-range repulsions. Our scope is neither to provide a historical review nor to make performance comparisons, but to give beginner's guide for this approximate, but in many ways invaluable, electronic structure simulation method--now freely available as an open-source software package, hotbit.

New Geometric Constraint Solving Formulation: Application to the 3D Pentahedron

2014

Geometric Constraint Solving Problems (GCSP) are nowadays routinely investigated in geometric modeling. The 3D Pentahedron problem is a GCSP defined by the lengths of its edges and the planarity of its quadrilateral faces, yielding to an under-constrained system of twelve equations in eighteen unknowns. In this work, we focus on solving the 3D Pentahedron problem in a more robust and efficient way, through a new formulation that reduces the underlying algebraic formulation to a well-constrained system of three equations in three unknowns, and avoids at the same time the use of placement rules that resolve the under-constrained original formulation. We show that geometric constraints can be …