Search results for "square"
showing 10 items of 1317 documents
Dynamics of a Spreading Nanodroplet: A Molecular Dynamic Simulation
2003
The spreading of polymer nanodroplets upon a sudden change from partial to complete wetting on an ideally flat and structureless solid substrate has been studied by molecular dynamic simulations using a coarse-grained bead-spring model of flexible macromolecules. Tanner's law for the growth of the lateral droplet radius {R(f) t 0.1 } is found to hold as long as the droplet does not disintegrate into individually moving chains. The data for the contact angle θ following from Tanner's law correspond to a dependence on time {θ(t) t -0.3 }. Our analysis of the mean square displacements of the polymer centers of mass reveals several dynamic regimes during the process of spreading. PACS numbers: …
Computer Simulations of the Dynamics of Amorphous Silica
1999
We present the results of a large scale computer simulation we performed to investigate the dynamical properties of supercooled silica. We show that parallel supercomputers such as the CRAY-T3E are very well suited to solve these type of problems. We find that at low temperatures the transport properties such as the diffusion constants and the viscosity agree well with the experimental data. At high temperatures this simulation predicts that in the transport quantities significant deviations from the Arrhenius law should be observed. Finally we show that such types of simulations can be used to investigate also complex dynamical quantities, such as the dynamical structure factor, and that t…
Equilibrating Glassy Systems with Parallel Tempering
2001
We discuss the efficiency of the so-called parallel tempering method to equilibrate glassy systems also at low temperatures. The main focus is on two structural glass models, SiO2 and a Lennard-Jones system, but we also investigate a fully connected 10 state Potts-glass. By calculating the mean squared displacement of a tagged particle and the spin-autocorrelation function, we find that for these three glass-formers the parallel tempering method is indeed able to generate, at low temperatures, new independent configurations at a rate which is O(100) times faster than more traditional algorithms, such as molecular dynamics and single spin flip Monte Carlo dynamics. In addition we find that t…
Gas transport through polymer membranes and free volume percolation
1998
We consider the influence of structural and dynamical properties of a polymer membrane on the gas transport through this matrix. The diffusant and the polymer only interact through repulsive interactions. In the case of a glassy polymer, when one can consider the matrix as frozen, the gas particle diffusion is determined by the free volume structure of the system. We show how the percolation properties of the free volume show up in a subdiffusive behavior of the diffusant. When one takes matrix mobility into account the ideal percolation transition vanishes but its trace can still be found in a subdiffusive regime in the gas particle mean square displacement. In the statically non-percolati…
Predicting sediment deposition rate in check-dams using machine learning techniques and high-resolution DEMs
2021
Sediments accumulated in check dams are a valuable measure to estimate soil erosion rates. Here, geographic information systems (GIS) and three machine learning techniques (MARS-multivariate adaptive regression splines, RF-random forest and SVM-support vector machine) were used, for the first time, to predict sediment deposition rate (SR) in check-dams located in six watersheds in SW Spain. There, 160 dry-stone check dams (~ 77.8 check-dams km−2), accumulated sediments during a period that varied from 11 to 23 years. The SR was estimated in former research using a topographical method and a high-resolution Digital Elevation Model (DEM) (average of 0.14 m3 ha−1 year−1). Nine environmental-to…
Use of Guided Regularized Random Forest for Biophysical Parameter Retrieval
2018
This paper introduces a feature selection method based on random forest -the Guided Regularized Random Forest (GRRF)- which can be used in classification and regression tasks. The method is based on the regularization of the information gain in the random forest nodes to obtain a subset of relevant and non-redundant features. The proposed method is used as a preliminary step In the process of retrieving biophysical parameters from a hyperspectral image. Preliminary experiments show that we can reduce the RMSE of the retrievals by around 7% for the Leaf Area Index and around 8% for the fraction of vegetation cover when compared to the results using random forest features.
Some Examples for Solving Clinical Problems Using Neural Networks
2001
In this paper neural networks are presented for solving some pharmaceutical problems. We have predicted and prevented patients with potential risk of post-Chemotherapy Emesis and potentially intoxicated patients treated with Digoxin. Neural networks have been also used for predicting Cyclosporine A concentration and Erythropoietin concentrations. Several neural networks (multilayer perceptron for classification tasks and Elman and FIR networks for prediction) and classical methods have been used. Results show how neural networks are very suitable tools for classification and prediction tasks, outperforming the classical methods. In a neural approach it is not strictly necessary to assume a …
Parameter optimization for amplify-and-forward relaying with imperfect channel estimation
2009
Cooperative diversity is a promising technology for future wireless networks. In this paper, we consider a cooperative communication system operating in an amplify-and-forward (AF) mode with an imperfectly-known relay fading channel. It is assumed that a pilot symbol assisted modulation (PSAM) scheme with linear minimum mean square estimator (LMMSE) is used for the channel estimation. A simple and easy-to-evaluate asymptotical upper bound (AUB) of the symbol-error-rate (SER) is derived for uncoded AF cooperative systems with quadrature amplitude modulation (QAM) constellations. Based on the AUB, we propose a criterion for the choice of parameters in the PSAM scheme, i.e., the pilot spacing …
A three-factor optimisation strategy for micellar liquid chromatography
2000
An interpretive optimisation methodology for micellar liquid chromatography (MLC) is shown, taking into account pH, surfactant (sodium dodecyl sulphate) and organic modifier (propanol) concentration. Two objectives are considered: to develop a highly practical straightforward three-factor optimisation for practical MLC, and, in order to avoid unecessary experiments, to link two and three-factor optimisations through a step-wise construction of the experimental design at different pH levels. The whole pH range for an ODS column (from 3 to 7) is covered. The proposed strategy was thoroughly evaluated using the chromatographic data from 81 experimental mobile phases, applied to the separation …
Advantages of fitting contrast curves using logistic function: a technical note.
2013
Objective The aim of this article is to demonstrate how the contrast properties of an imaging system can be ideally fitted with the use of stripe patterns and the logistic function. Study Design Stripe patterns with defined amounts of line pairs (lp/mm) per mm (10-20 lp/mm) were recorded with the use of digital photostimulable storage phosphor. Scan data and normalized image data were analyzed with the use of ImageJ and MatLab to calculate different contrast curves. Results For original scan data, the goodness of fit was 0.0000019 (sum of squared error [SSE]). The R-square was 0.9998. For normalized data the goodness of fit was 0.0007 (SSE) and the R-square 0.998. An amount of 50% contrast …