A Semi-Blind Source Separation Method for Differential Optical Absorption Spectroscopy of Atmospheric Gas Mixtures

Differential optical absorption spectroscopy (DOAS) is a powerful tool for detecting and quantifying trace gases in atmospheric chemistry \cite{Platt_Stutz08}. DOAS spectra consist of a linear combination of complex multi-peak multi-scale structures. Most DOAS analysis routines in use today are based on least squares techniques, for example, the approach developed in the 1970s uses polynomial fits to remove a slowly varying background, and known reference spectra to retrieve the identity and concentrations of reference gases. An open problem is to identify unknown gases in the fitting residuals for complex atmospheric mixtures. In this work, we develop a novel three step semi-blind source separation method. The first step uses a multi-resolution analysis to remove the slow-varying and fast-varying components in the DOAS spectral data matrix $X$. The second step decomposes the preprocessed data $\hat{X}$ in the first step into a linear combination of the reference spectra plus a remainder, or $\hat{X} = A\,S + R$, where columns of matrix $A$ are known reference spectra, and the matrix $S$ contains the unknown non-negative coefficients that are proportional to concentration. The second step is realized by a convex minimization problem $S = \mathrm{arg} \min \mathrm{norm}\,(\hat{X} - A\,S)$, where the norm is a hybrid $\ell_1/\ell_2$ norm (Huber estimator) that helps to maintain the non-negativity of $S$. The third step performs a blind independent component analysis of the remainder matrix $R$ to extract remnant gas components. We first illustrate the proposed method in processing a set of DOAS experimental data by a satisfactory blind extraction of an a-priori unknown trace gas (ozone) from the remainder matrix. Numerical results also show that the method can identify multiple trace gases from the residuals.Comment: submitted to Journal of Scientific Computin

Updated world map of the Köppen-Geiger climate classification

International audienceAlthough now over 100 years old, the classification of climate originally formulated by Wladimir Köppen and modified by his collaborators and successors, is still in widespread use. It is widely used in teaching school and undergraduate courses on climate. It is also still in regular use by researchers across a range of disciplines as a basis for climatic regionalisation of variables and for assessing the output of global climate models. Here we have produced a new global map of climate using the Köppen-Geiger system based on a large global data set of long-term monthly precipitation and temperature station time series. Climatic variables used in the Köppen-Geiger system were calculated at each station and interpolated between stations using a two-dimensional (latitude and longitude) thin-plate spline with tension onto a 0.1°×0.1° grid for each continent. We discuss some problems in dealing with sites that are not uniquely classified into one climate type by the Köppen-Geiger system and assess the outcomes on a continent by continent basis. Globally the most common climate type by land area is BWh (14.2%, Hot desert) followed by Aw (11.5%, Tropical savannah). The updated world Köppen-Geiger climate map is freely available electronically in the Supplementary Material Section

The low dimensional dynamical system approach in General Relativity: an example

In this paper we explore one of the most important features of the Galerkin method, which is to achieve high accuracy with a relatively modest computational effort, in the dynamics of Robinson-Trautman spacetimes.Comment: 7 pages, 5 figure

Heat Capacity in Magnetic and Electric Fields Near the Ferroelectric Transition in Tri-Glycine Sulfate

Specific-heat measurements are reported near the Curie temperature ($T_C$~= 320 K) on tri-glycine sulfate. Measurements were made on crystals whose surfaces were either non-grounded or short-circuited, and were carried out in magnetic fields up to 9 T and electric fields up to 220 V/cm. In non-grounded crystals we find that the shape of the specific-heat anomaly near $T_C$ is thermally broadened. However, the anomaly changes to the characteristic sharp $\lambda$-shape expected for a continuous transition with the application of either a magnetic field or an electric field. In crystals whose surfaces were short-circuited with gold, the characteristic $\lambda$-shape appeared in the absence of an external field. This effect enabled a determination of the critical exponents above and below $T_C$, and may be understood on the basis that the surface charge originating from the pyroelectric coefficient, $dP/dT$, behaves as if shorted by external magnetic or electric fields.Comment: 4 Pages, 4 Figures. To Appear in Applied Physics Letters_ January 200

Linear Stochastic Models of Nonlinear Dynamical Systems

We investigate in this work the validity of linear stochastic models for nonlinear dynamical systems. We exploit as our basic tool a previously proposed Rayleigh-Ritz approximation for the effective action of nonlinear dynamical systems started from random initial conditions. The present paper discusses only the case where the PDF-Ansatz employed in the variational calculation is ``Markovian'', i.e. is determined completely by the present values of the moment-averages. In this case we show that the Rayleigh-Ritz effective action of the complete set of moment-functions that are employed in the closure has a quadratic part which is always formally an Onsager-Machlup action. Thus, subject to satisfaction of the requisite realizability conditions on the noise covariance, a linear Langevin model will exist which reproduces exactly the joint 2-time correlations of the moment-functions. We compare our method with the closely related formalism of principal oscillation patterns (POP), which, in the approach of C. Penland, is a method to derive such a linear Langevin model empirically from time-series data for the moment-functions. The predictive capability of the POP analysis, compared with the Rayleigh-Ritz result, is limited to the regime of small fluctuations around the most probable future pattern. Finally, we shall discuss a thermodynamics of statistical moments which should hold for all dynamical systems with stable invariant probability measures and which follows within the Rayleigh-Ritz formalism.Comment: 36 pages, 5 figures, seceq.sty for sequential numbering of equations by sectio

Computing stationary free-surface shapes in microfluidics

A finite-element algorithm for computing free-surface flows driven by arbitrary body forces is presented. The algorithm is primarily designed for the microfluidic parameter range where (i) the Reynolds number is small and (ii) force-driven pressure and flow fields compete with the surface tension for the shape of a stationary free surface. The free surface shape is represented by the boundaries of finite elements that move according to the stress applied by the adjacent fluid. Additionally, the surface tends to minimize its free energy and by that adapts its curvature to balance the normal stress at the surface. The numerical approach consists of the iteration of two alternating steps: The solution of a fluidic problem in a prescribed domain with slip boundary conditions at the free surface and a consecutive update of the domain driven by the previously determined pressure and velocity fields. ...Comment: Revised versio

Numerical Evolution of axisymmetric vacuum spacetimes: a code based on the Galerkin method

We present the first numerical code based on the Galerkin and Collocation methods to integrate the field equations of the Bondi problem. The Galerkin method like all spectral methods provide high accuracy with moderate computational effort. Several numerical tests were performed to verify the issues of convergence, stability and accuracy with promising results. This code opens up several possibilities of applications in more general scenarios for studying the evolution of spacetimes with gravitational waves.Comment: 11 pages, 6 figures. To appear in Classical and Quantum Gravit

Dopant-induced crossover from 1D to 3D charge transport in conjugated polymers

The interplay between inter- and intra-chain charge transport in bulk polythiophene in the hopping regime has been clarified by studying the conductivity as a function of frequency (up to 3 THz), temperature and doping level. We present a model which quantitatively explains the observed crossover from quasi-one-dimensional transport to three-dimensional hopping conduction with increasing doping level. At high frequencies the conductivity is dominated by charge transport on one-dimensional conducting chains.Comment: 4 pages, 2 figure