Search results for " computational"
showing 10 items of 661 documents
Decentralized Subspace Projection for Asymmetric Sensor Networks
2020
A large number of applications in Wireless Sensor Networks include projecting a vector of noisy observations onto a subspace dictated by prior information about the field being monitored. In general, accomplishing such a task in a centralized fashion, entails a large power consumption, congestion at certain nodes and suffers from robustness issues against possible node failures. Computing such projections in a decentralized fashion is an alternative solution that solves these issues. Recent works have shown that this task can be done via the so-called graph filters where only local inter-node communication is performed in a distributed manner using a graph shift operator. Most of the existi…
An asynchronous covert channel using spam
2012
AbstractCurrent Internet e-mail facilities are built onto the foundation of standard rules and protocols, which usually allow a considerable amount of “freedom” to their designers. Each of these standards has been defined based on a number of vendor specific implementations, in order to provide common inter-working procedures for cross-vendor communication. Thus, a lot of optional and redundant information is being exchanged during e-mail sessions, which is available to implement versatile covert channel mechanisms.This work exploits this possibility by presenting a simple but effective steganographic scheme that can be used to deploy robust secret communication through spam e-mails. This s…
Subpixel determination of imperfect circles characteristics
2008
This article deals with the problem of the determination of characteristics of imperfect circular objects in discrete images, namely the radius and center coordinates. To limit distortion, a multi-level method based on active contours was developed. Its originality is to furnish a set of geometric envelopes in one pass, with a correspondence between grayscale and a regularity scale. The adequacy of this approach was tested with several methods, among them is the Radon-based method. More particularly, this study indicates the relevance of the use of active contours combined with a Radon transform-based method which was improved using a fitting considering the discrete implementation of the R…
The problem of interoperability: A common data format for quantum chemistry codes
2007
A common format for quantum chemistry (QC), enhancing code interoperability and communication between different programs, has been designed and implemented. An XML-based format, QC-ML, is presented for representing quantities such as geometry, basis set, and so on, while an HDF5-based format is presented for the storage of large binary data files. Some preliminary applications that use the format have been implemented and are also described. This activity was carried out within the COST in Chemistry D23 project “MetaChem,” in the Working Group “A meta-laboratory for code integration in ab initio methods.” © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
Parallelization of Cellular Automata for Surface Reactions
2002
We present a parallel implementation of cellular automata to simulate chemical reactions on surfaces. The scaling of the computer time with the number of processors for this parallel implementation is quite close to the ideal T/P, where T is the computer time used for one single processor and P the number of processors. Two examples are presented to test the algorithm, the simple A+B->0 model and a realistic model for CO oxidation on Pt(110). By using large parallel simulations, it is possible to derive scaling laws which allow us to extrapolate to even larger system sizes and faster diffusion coefficients allowing us to make direct comparisons with experiments.
Single device offset-free magnetic field sensing principle with tunable sensitivity and linear range based on spin-orbit-torques
2023
We propose a novel device concept using spin-orbit-torques to realize a magnetic field sensor, where we eliminate the sensor offset using a differential measurement concept. We derive a simple analytical formulation for the sensor signal and demonstrate its validity with numerical investigations using macrospin simulations. The sensitivity and the measurable linear sensing range in the proposed concept can be tuned by either varying the effective magnetic anisotropy or by varying the magnitude of the injected currents. We show that undesired perturbation fields normal to the sensitive direction preserve the zero-offset property and only slightly modulate the sensitivity of the proposed sens…
Ab initio modeling of oxygen impurity atom incorporation into uranium mononitride surface and subsurface vacancies
2011
The incorporation of oxygen atoms has been simulated into either nitrogen or uranium vacancy at the UN(001) surface, sub-surface or central layers. For calculations on the corresponding slab models both the relativistic pseudopotentials and the method of projector augmented-waves (PAW) as implemented in the VASP computer code have been used. The energies of O atom incorporation and solution within the defective UN surface have been calculated and discussed. For different configurations of oxygen ions at vacancies within the UN(001) slab, the calculated density of states and electronic charge re-distribution was analyzed. Considerable energetic preference of O atom incorporation into the N-v…
Chemisorption of a molecular oxygen on the UN(001) surface: Ab initio calculations
2010
The results of DFT GGA calculations on oxygen molecules adsorbed upon the (0 0 1) surface of uranium mononitride (UN) are presented and discussed. We demonstrate that O2 molecules oriented parallel to the substrate can dissociate either (i) spontaneously when the molecular center lies above the surface hollow site or atop N ion, (ii) with the activation barrier when a molecule sits atop the surface U ion. This explains fast UN oxidation in air.
Speeding up of microstructure reconstruction: I. Application to labyrinth patterns
2011
Recently, entropic descriptors based the Monte Carlo hybrid reconstruction of the microstructure of a binary/greyscale pattern has been proposed (Piasecki 2011 Proc. R. Soc. A 467 806). We try to speed up this method applied in this instance to the reconstruction of a binary labyrinth target. Instead of a random configuration, we propose to start with a suitable synthetic pattern created by cellular automaton. The occurrence of the characteristic attributes of the target is the key factor for reducing the computational cost that can be measured by the total number of MC steps required. For the same set of basic parameters, we investigated the following simulation scenarios: the biased/rando…
Multiscale modelling of structure formation of C$_{60}$ on insulating CaF$_2$ substrates
2021
Morphologies of adsorbed molecular films are of interest in a wide range of applications. To study the epitaxial growth of these systems in computer simulations requires access to long time and length scales, and one typically resorts to kinetic Monte Carlo (KMC) simulations. However, KMC simulations require as input transition rates and their dependence on external parameters (such as temperature). Experimental data allow only limited and indirect access to these rates, and models are often oversimplified. Here, we follow a bottom-up approach and aim at systematically constructing all relevant rates for an example system that has shown interesting properties in experiments, buckminsterfull…