Search results for " Applications"
showing 10 items of 4541 documents
Reaction coordinates and transition states in enzymatic catalysis
2017
Enzymatic reactions are complex chemical processes taking place in complex dynamic environments. Theoretical characterization of these reactions requires the determination of the reaction coordinate and the transition state ensemble. This is not an easy task because many degrees of freedom may be involved in principle. We present recent efforts to find good enzymatic reaction coordinates and the implications of these findings in the interpretation of enzymatic efficiency. In particular, we analyze different strategies based on the use of minimum free energy paths and direct localization of the dividing surface on multidimensional free energy surfaces. Another strategy is based on the genera…
Curvilinear constraints for free form deformations on subdivision surfaces
2010
This paper presents a method to deform a subdivision surface with curvilinear constraints. It combines an intuitive free form deformation with a Loop subdivision algorithm. The main advantage of this method of deformation is that it uses only vertices of an object and satisfies the geometrical constraints provided by the user. It permits us to control the final shape of the deformed object, defining the range (i.e. the impact) of the deformation before applying it. The deformation takes into account the Loop properties to follow the subdivision scheme, allowing the user to fix some curvilinear constraints at the subdivision level he works on and to render the final object at the level he wa…
A sliding mode approach to robust stabilisation of Markovian jump linear time-delay systems with generally incomplete transition rates
2015
Abstract This paper is devoted to investigating the problem of robust sliding mode control for a class of uncertain Markovian jump linear time-delay systems with generally uncertain transition rates (GUTRs). In this GUTR model, each transition rate can be completely unknown or only its estimate value is known. By making use of linear matrix inequalities technique, sufficient conditions are presented to derive the linear switching surface and guarantee the stochastic stability of sliding mode dynamics. A sliding mode control law is developed to drive the state trajectory of the closed-loop system to the specified linear switching surface in a finite-time interval in spite of the existing unc…
Hybrid approach to surface roughness evaluation in multistage machining processes
2003
Abstract An assessment of surface quality in turned, ground and honed specimens is made by means of a computer-based processing of digitised surface profiles. Three different methods of surface finish characterisation, i.e. statistical, fractal and neural network-based approaches are examined and compared. Correlations between some representative roughness parameters and the fractal dimension (D) values estimated were found. Consequently, they can be converted to their corresponding roughness parameters, i.e. Ra, Rz and RΔa. Finally, a set of parameters including the minimum surface finish data for machining of external cylindrical surfaces when using complex technological process, is propo…
H∞ sliding mode control for uncertain neutral-type stochastic systems with Markovian jumping parameters
2015
This paper is devoted to the investigation of H ∞ sliding mode control (SMC) for uncertain neutral stochastic systems with Markovian jumping parameters and time-varying delays. A sliding surface functional is firstly constructed. Then, the sliding mode control law is designed to guarantee the reachability of the sliding surface in a finite-time interval. The sufficient conditions for asymptotically stochastic stability of sliding mode dynamics with a given disturbance attenuation level are presented in terms of linear matrix inequalities (LMIs). Finally, an example is provided to illustrate the efficiency of the proposed method.
MESH COMPARISON USING ATTRIBUTE DEVIATION METRIC
2004
We propose a mesh comparison method using a new attribute deviation metric. The considered meshes contain geometrical and appearance attributes (material color, texture, temperature, etc.). The proposed deviation metric computes local differences between the attributes of two meshes. A mesh comparison assessment can be done easily and quickly using this metric. The techniques proposed are applicable in a number of ways, e.g. 3D matching and registration, and the example described in the paper is the simplification of a surface by iteratively reducing its complexity according to an error metric. The results are presented showing the success of the algorithm through comparisons with other me…
MUSIC-characterization of small scatterers for normal measurement data
2009
We investigate the reconstruction of the positions of a collection of small metallic objects buried beneath the ground from measurements of the vertical component of scattered fields corresponding to vertically polarized dipole excitations on a horizontal two-dimensional measurement device above the surface of the ground. A MUSIC reconstruction method for this problem has recently been proposed by Iakovleva et al (2007 IEEE Trans. Antennas Propag. 55 2598). In this paper, we give a rigorous theoretical justification of this method. To that end we prove a characterization of the positions of the scatterers in terms of the measurement data, applying an asymptotic analysis of the scattered fie…
Deep Gaussian Processes for Geophysical Parameter Retrieval
2018
This paper introduces deep Gaussian processes (DGPs) for geophysical parameter retrieval. Unlike the standard full GP model, the DGP accounts for complicated (modular, hierarchical) processes, provides an efficient solution that scales well to large datasets, and improves prediction accuracy over standard full and sparse GP models. We give empirical evidence of performance for estimation of surface dew point temperature from infrared sounding data.
A mesoscopic mechanical model of the surface tension and some simulation results
2019
Abstract Drops of mercury do not spread on a surface. A metal paper clip can float on water. These phenomena are macroscopic manifestations of molecular interactions and can be explained in terms of surface tension. In this study, we discuss a simple mesoscopic mechanical model of the surface tension and the results of numerical fluid dynamics simulations implemented on the basis of it. We study the droplet formation without and with gravity when it can drop from a narrow hole like a trickling tap and finally the behaviour of free surface liquid in a vessel. Teachers and students can be able to study the surface tension by using the computer simulation as a “tool” for analysing and discussi…
Reshaping End-of-Life components by sheet hydroforming: An experimental and numerical analysis
2022
In this study, a numerical/experimental analysis is proposed to investigate the possibility of reshaping sheet metal-based End-of-Life (EoL) components using sheet Hydroforming (SHF). Returned EoL components are challenging to be reformed, they are usually characterised by high heterogeneity as there are localised thinning areas (caused by the original forming processes), and the overall formability is reduced with respect to the original flat sheet material. The reshaping route was replicated: a deep drawing process was adopted to impart a square feature; subsequently, SHF was performed. The capability of remove the deep drawn feature was analysed with varying Blank-holder force, oil press…