Search results for "extrapolation"
showing 10 items of 150 documents
A shoreline boundary condition for a highly nonlinear Boussinesq model for breaking waves
2012
Abstract A physically based strategy was used to model swash zone hydrodynamics forced by breaking waves within a Boussinesq type of model. The position and the velocity of the shoreline were determined continuously in space by solving the physically-based equations of the shoreline motion; moreover, a fixed grid method, with a wet–dry interface, was adopted for integrating the Boussinesq model. The numerical stability of the model was improved by means of an extrapolation method. To validate the proposed methodology, the classical analytical solution for the shoreline motion of a monochromatic wave train over a plane beach was considered. The comparison between the analytical and numerical…
Influence of Welding Time on Tensile-Shear Strength of Linear Friction Welded Birch (Betula pendula L.) Wood
2015
Linear friction welding of wood is a bonding process applied to wood and during which a stiff bond line is formed by the softening and rehardening of wood components to form a composite material composed mainly of wood fibres embedded in a modified lignin matrix. Unfortunately, the bonds tend to spontaneously delaminate or lose their strength when exposed to moist conditions. Some approaches were previously applied to overcome this problem, but so far a suitable solution has not been found. This paper presents results of applying post-welding thermal modification to reduce the moisture sensitivity of welded wood. The experiments included welding of birch wood, thermal modification under sup…
Extension of the MIRS computer package for the modeling of molecular spectra : from effective to full ab initio ro-vibrational hamiltonians in irredu…
2012
The MIRS software for the modeling of ro-vibrational spectra of polyatomic molecules was considerably extended and improved. The original version (Nikitin, et al. JQSRT, 2003, pp. 239--249) was especially designed for separate or simultaneous treatments of complex band systems of polyatomic molecules. It was set up in the frame of effective polyad models by using algorithms based on advanced group theory algebra to take full account of symmetry properties. It has been successfully used for predictions and data fitting (positions and intensities) of numerous spectra of symmetric and spherical top molecules within the vibration extrapolation scheme. The new version offers more advanced possib…
Constraining effective rheology through parallel joint geodynamic inversion
2014
Abstract The dynamics of crust and lithosphere is to a large extent controlled by its effective viscosity. Unfortunately, extrapolation of laboratory experiments indicates that viscosity is likely to vary over many orders of magnitude. Additional methods are thus required to constrain the effective viscosity of the present-day lithosphere using more direct geophysical observations. Here we discuss a method, which couples 3D geodynamic models with observations (surface velocities and gravity anomalies) and with a Bayesian inversion scheme on massively parallel high performance computers. We illustrate that the basic principle of a joint geodynamic and gravity inversion works well with a simp…
δ objects as a gauge for stress sensitivity of strain rate in mylonites
1993
Abstract Our understanding of the flow properties of deforming rocks in the Earth's lithosphere is mainly based on theoretical work and on the extrapolation of high-strain-rate experimental data to the low strain rates of rock deformation in nature. The geometry of structures in naturally deformed rocks can be an additional source of information on the rheology of the lithosphere. Flow experiments show that the geometry of a mantle of recrystallised material around a rigid object can be used to distinguish between a linear or power-law relation of differential stress and strain rate in strongly deformed rocks such as mylonites. This means that it is possible to use geometrical patterns in d…
Extrapolation of water and formaldehyde harmonic and anharmonic frequencies to the B3LYP/CBS limit using polarization consistent basis sets
2010
The harmonic and anharmonic frequencies of fundamental vibrations in formaldehyde and water were successfully estimated using the B3LYP Kohn-Sham limit. The results obtained with polarization- and correlation-consistent basis sets were fitted with a two-parameter formula. Anharmonic corrections were obtained by a second order perturbation treatment (PT2). We compared the performance of the PT2 scheme on the two title molecules using SCF, MP2 and DFT (BLYP, B3LYP, PBE and B3PW91 functionals) methods combined with polarization consistent pc-n (n = 0, 1, 2, 3, 4) basis sets, Dunning’s basis sets (aug)-cc-pVXZ where X = D, T, Q, 5, 6 and Pople’s basis sets up to 6-311++G(3df,2pd). The influence…
Self-Assembly of Supramolecular Polymers of N-Centered Triarylamine Trisamides in the Light of Circular Dichroism: Reaching Consensus between Electro…
2020
The self-assembly of chiral supramolecular polymers is an intricate process that spans a wide range of length scales. Circular dichroism techniques are ideal to study this process as they provide information on the molecular scale but are at the same time also sensitive probes of the long-range interactions that control the growth and morphology of these polymers. As yet, Electronic Circular Dichroism that uses electronic transitions as a probe has by far been the method of choice while Vibrational Circular Dichroism, which uses vibrational transitions to probe structure, is much less employed. Here, we report experimental and theoretical studies of the self-assembly of helical supramolecul…
Integrating Domain Knowledge in Data-Driven Earth Observation With Process Convolutions
2022
The modelling of Earth observation data is a challenging problem, typically approached by either purely mechanistic or purely data-driven methods. Mechanistic models encode the domain knowledge and physical rules governing the system. Such models, however, need the correct specification of all interactions between variables in the problem and the appropriate parameterization is a challenge in itself. On the other hand, machine learning approaches are flexible data-driven tools, able to approximate arbitrarily complex functions, but lack interpretability and struggle when data is scarce or in extrapolation regimes. In this paper, we argue that hybrid learning schemes that combine both approa…
Dual Extrapolation for Sparse Generalized Linear Models
2020
International audience; Generalized Linear Models (GLM) form a wide class of regression and classification models, where prediction is a function of a linear combination of the input variables. For statistical inference in high dimension, sparsity inducing regularizations have proven to be useful while offering statistical guarantees. However, solving the resulting optimization problems can be challenging: even for popular iterative algorithms such as coordinate descent, one needs to loop over a large number of variables. To mitigate this, techniques known as screening rules and working sets diminish the size of the optimization problem at hand, either by progressively removing variables, o…
Replacing radiative transfer models by surrogate approximations through machine learning
2015
Physically-based radiative transfer models (RTMs) help in understanding the processes occurring on the Earth's surface and their interactions with vegetation and atmosphere. However, advanced RTMs can take a long computational time, which makes them unfeasible in many real applications. To overcome this problem, it has been proposed to substitute RTMs through so-called emulators. Emulators are statistical models that approximate the functioning of RTMs. They are advantageous in real practice because of the computational efficiency and excellent accuracy and flexibility for extrapolation. We here present an ‘Emulator toolbox’ that enables analyzing three multi-output machine learning regress…