Search results for "Simulation."

Bill2d - a software package for classical two-dimensional Hamiltonian systems

2015

Abstract We present Bill2d , a modern and efficient C++ package for classical simulations of two-dimensional Hamiltonian systems. Bill2d can be used for various billiard and diffusion problems with one or more charged particles with interactions, different external potentials, an external magnetic field, periodic and open boundaries, etc. The software package can also calculate many key quantities in complex systems such as Poincare sections, survival probabilities, and diffusion coefficients. While aiming at a large class of applicable systems, the code also strives for ease-of-use, efficiency, and modularity for the implementation of additional features. The package comes along with a use…

Modelling of Pulsed Electro Acoustic Method for Space Charge Detection on Single and Multilayer Dielectrics

A measurement-based channel model for vehicular communications in tunnels

2014

Wireless Communications and Networking Conference (WCNC), 2014 IEEE, Istanbul, TURQUIE, 06-/04/2014 - 09/04/2014; In this paper, we present a new version of the iterative nonlinear least square approximation (INLSA) algorithm for the design of measurement-based channel simulators. The proposed method aims to match the time-variant impulse response (TVIR) of the simulation model to that of the measured channel. The propagation delays are discerned directly from the measurements, whereas the gains, the Doppler frequencies, and the phases are computed iteratively by minimizing a matching error norm. We evaluate the performance of the proposed method in terms of the approximation of the transfe…

Polynucleotide differentiation using hybrid solid-state nanopore functionalizing with α-hemolysin

2019

We report results from full atomistic molecular dynamics simulations on the properties of biomimetic nanopores. This latter result was obtained through the direct insertion of an α-hemolysin protein inside a hydrophobic solid-state nanopore. Upon translocation of different DNA strands, we demonstrate here that the theoretical system presents the same discrimination properties as the experimental one obtained previously. This opens an interesting way to promote the stability of a specific protein inside a solid nanopore to develop further biomimetic applications for DNA or protein sequencing.

Ultimate strain and deformability of elementary flax fibres

2011

Flax fibres possess high specific strength and stiffness, and thus are competitive in terms of mechanical properties with the traditional reinforcing fibres used in polymer-matrix composite materials. The mechanical properties of fibres have considerable variability that needs to be characterized and allowed for in the analysis of mechanical response of composites. In this study, the distribution of ultimate strain of elementary flax fibres and its dependence on gauge length is considered. The applicability of the modified Weibull distribution, used for fibre strength, to fibre ultimate strain is evaluated. A simplified relation of ultimate strain and fibre strength distributions is propos…

Analytical evaluation of structural response for stationary multicorrelated input

1990

Abstract An analytical procedure is presented which can drastically reduce computational effort in the evaluation of the spectral moments of an elastic linear multi-degree-of-freedom system subjected to a stationary multicorrelated input process. The reduction in computer time is possible since the cross-spectral moments of two oscillators can be obtained in recursive manner as a linear combination of the spectral moment of each oscillator taken separately, which is evaluated by means of a very fast numerical technique.

Elastic neutron scattering of dry and rehydrated trehalose coated carboxy-myoglobin

2008

We report here a comparison between the hydrogen atoms mean square displacements measured by elastic neutron scattering on trehalose coated carboxy-myoglobin, at ILL on the backscattering spectrometers IN13 and IN16. An inconsistency is observed when comparing the mean square displacements measured on the two spectrometer, on samples of identical composition, since they resulted of larger amplitude on IN13 (either in condition of drought or after overnight rehydration under 75% D2O atmosphere), notwithstanding the lower time window accessible on this instrument with respect to IN16. Such inconsistency disappears when the data obtained on this last spectrometer are analyzed in two separate r…

Mycotoxin Identification and In Silico Toxicity Assessment Prediction in Atlantic Salmon

2020

The present study aimed to identify mycotoxins in edible tissues of Atlantic salmon (Salmo salar) using liquid chromatography coupled to hybrid quadrupole time-of-flight mass spectrometry (LC-Q-TOF-MS). After using a non-targeted screening approach and a home-made spectral library, 233 mycotoxins were analyzed. Moreover, the occurrence of mycotoxins in fish filets was evaluated, and their potential toxicity was predicted by in silico methods. According to the obtained results, forty mycotoxins were identified in analyzed salmon samples, the predominant mycotoxins being enniatins (also rugulosin and 17 ophiobolins), commonly found in cereals and their by-products. Thus, mycotoxin carry-over …

Fragmentation Pathways of Polycyclic Polyisoprenylated Benzophenones and Degradation Profile of Nemorosone by Multiple-Stage Tandem Mass Spectrometry

2009

Nemorosone is a polycyclic polyisoprenylated benzophenone (PPBs) with strong cytotoxic activity. It is the major constituent of Clusia rosea floral resin and brown Cuban propolis. Other PPBs found in Cuban propolis are oxidized and cyclized derivatives of nemorosone. The instability of PPBs carrying an enolizable 1,3-diketone system has been suggested, and the elucidation of this aspect is very fundamental for the evaluation of their biologic activity. Electrospray ionization multistage tandem mass spectrometry (ESI-MSn) was employed to shed light on the origin of these derivatives of nemorosone and to define the stability of this natural product. For this purpose, we initially performed MS…

Analysis of pattern recognition by man using detection experiments.

1981

This paper addresses the problem of analyzing biological pattern recognition systems. As no complete analysis is possible due to limited observability, the theoretical part of the paper examines some principles of construction for recognition systems. The relations between measurable and characteristic variables of these systems are described. The results of the study are: 1. Human recognition systems can always be described by a model consisting of an analyzer (FA) and a linear classifier. 2. The linearity of the classifier places no limits on the universal validity of the model. The principle of organization of such a system may be put into effect in many different ways. 3. The analyzer f…