Search results for "Simulation."
showing 10 items of 4779 documents
Force Distribution Analysis of Mechanochemically Reactive Dimethylcyclobutene
2013
Internal molecular forces can guide chemical reactions, yet are not straightforwardly accessible within a quantum mechanical description of the reacting molecules. Here, we present a force-matching force distribution analysis (FM-FDA) to analyze internal forces in molecules. We simulated the ring opening of trans-3,4-dimethylcyclobutene (tDCB) with on-the-fly semiempirical molecular dynamics. The self-consistent density functional tight binding (SCC-DFTB) method accurately described the force-dependent ring-opening kinetics of tDCB, showing quantitative agreement with both experimental and computational data at higher levels. Mechanical force was applied in two different ways, namely, exter…
Development of a Brief Multicultural Version of the Test of Mobile Phone Dependence (TMDbrief) Questionnaire
2016
The Test of Mobile Phone Dependence (TMD) questionnaire (Chóliz, 2012) evaluates the main features of mobile phone dependence: tolerance, abstinence syndrome, impaired impulse control, associated problems, excessive use, etc. Objective: The objective of this study was to develop a multicultural version of the TMD (TMDbrief) adapted to suit the novel communication tools of smartphones. Procedure: In this study, the TMD was completed by 2,028 young respondents in six distinct world regions: Southern Europe, Northwest Europe, South-America, Mesoamerica, Pakistan, and India. Results: Psychometric analysis of the reliability of the instrument and factor analysis were performed to adapt the TMDbr…
Vers une géo-ontologie pour les Systèmes Energétiques Territoriaux (SET)
2009
International audience; Cette communication vise à explorer les bases d'une ontologie de domaine, à travers une illustration géographique de la thématique énergétique, reposant sur la considération des Systèmes Energétiques Territoriaux. Dans une perspective d'observation des territoires et d'aide à la décision, l'objectif final est de parvenir à une instrumentation sous la forme d'un observatoire. Cette application informatique nécessite de structurer et de représenter des connaissances. Elle s'accompagne d'une phase préalable de modélisation qui consiste en l'identification des entités significatives du domaine, de la sémantique à leur affecter, et des processus à leur attacher. De plus, …
Navigation Performance Evaluation for AutomaticGuided Vehicles
2015
International audience; —Automatic guided vehicles (AGVs), an industrial form of a mobile robot,typically navigate using a central computer commanding AGV movement on predefined paths. How well they follow these paths is not well-defined in research articles and their performance is reported in non-standard manufacturer specifications. Furthermore, AGV technology is advancing towards vision guidance to map and localize their position from onboard the vehicle, whereas performance evaluation of advanced navigation techniques is just beginning. This paper describes AGV experiments using ground truth measurement comparisonfor performance evaluationof AGV navigation. A generic test procedure and…
Réalités (ou apparences ?) de l'hyperréalité : une application au cas du tourisme de loisirs
2005
Although hyperreality is not a subject commonly studied in marketing, it characterizes an increasing number of leisure and tourist places. In this article, we build a theoretical model to have a better understanding of this phenomenon in order to define it. This model as well as a study of leisure tourist universes help us to identify the attributes and commercial strategies that are used to create a hyperreal environment. We also explore the strategic opportunities and threats associated with developing hyperreality on commercial grounds.
Novel green bio-composite geopolymeric thermo-plasters for innovative building applications: upcycling spent coffee ground
2022
This study proposes the reuse of spent coffee ground and biomass fly ash in the development of green geopolymeric thermo-plastering for innovative building applications. The former waste is the major residue of the brewing process, that is usually used as fertilisers or disposed of in landfill with extreme harmfulness for the natural environment. The latter is an industrial waste generated during the Kraft paper-pulp process, that is usually landfilled. The mortar is produced with a combination of metakaolin (30 wt.%) and biomass fly ash (70 wt.%), and natural siliceous sand filled with spent coffee ground (up to 17.5 wt.%). The high amount of reused waste makes the material an optimum cand…
Simulation studies of electronic transport in a-Si:H thin film solar cells
2009
The thin film solar cells in Hydrogenated Amorphous Silicon (a-Si:H) are attractive for cheaper production and used in ultra low cost, high volume applications but have a relatively lower electronic performance. These limitations are mainly due to properties of the a-Si:H and relies on the production technique. In this study we investigate the physical mechanisms which are on the basis of the electronic transport and their relation with the technological processes. The transport-simulation computer program ATLAS (Silvaco) has been used to examine the role of the mid gap defect density in determining the performance of a-Si:H p-i-n homojunction solar cell.
Synthesis, antiproliferative activity, and in silico insights of new 3-benzoylamino-benzo[ b ]thiophene derivatives
2014
A new series of 3-benzoylamino-5-imidazol-5-yl-benzo[b]thiophenes and the parent amino derivatives were synthesized and screened as antitumor agents. All tested compounds showed concentration-dependent antiproliferative activity profile against HeLa cell line, exhibiting GI50 values in the low micromolar range. The most active compounds were tested in cell cycle perturbation experiments. A rapid accumulation of cells in the G2/M phase, with a concomitant reduction of cells in both the S and G0/G1 phases, was observed, suggesting that cell exposure to selected derivatives produces mitotic failure. To rationalize the biological results, the 3-benzoylamino-benzo[b]thiophenes were analyzed thro…
Reducing the Time to Detect Cyber Attacks : Combining Attack Simulation With Detection Logic
2021
Cyber attacks have become harder to detect, causing the average detection time of a successful data breach to be over six months and typically costing the target organization nearly four million dollars. The attacks are becoming more sophisticated and targeted, leaving unprepared environments easy prey for the attackers. Organizations with working antivirus systems and firewalls may be surprised when they discover their network has been encrypted by a ransomware operator. This raises a serious question, how did the attacks go undetected? The conducted research focuses on the most common pitfalls regarding late or even non-existent detection by defining the root cause behind the failed detec…