Search results for "elementary"
showing 10 items of 863 documents
The transition state and cognate concepts
2019
Abstract This review aims firstly to clarify the meanings of key terms and concepts associated with the idea of the transition state, as developed by theoreticians and applied by experimentalist, and secondly to provide an update to the meaning and significance of the transition state in an era when computational simulation, in which complexity is being increasingly incorporated, is commonly employed as a means by which to bridge the realms of theory and experiment. The relationship between the transition state and the potential-energy surface for an elementary reaction is explored, with discussion of the following terms: saddle point, minimum-energy reaction path, reaction coordinate, acti…
A QM/MM Approach Using the AMOEBA Polarizable Embedding: From Ground State Energies to Electronic Excitations
2016
International audience; A fully polarizable implementation of the hybrid Quantum Mechanics/Molecular Mechanics approach is presented, where the classical environment is described through the AMOEBA polarizable force field. A variational formalism, offering a self-consistent 1 relaxation of both the MM induced dipoles and the QM electronic density is used for ground state energies and extended to electronic excitations in the framework of Time-Dependent Density Functional Theory combined with a state specific response of the classical part. An application to the calculation of the solvatochromism of the pyridinium N-phenolate betaine dye used to define the solvent ET30 scale is presented. Th…
Experimental framework of traveling trolley with swinging load for hybrid motion control
2018
A novel experimental framework of the traveling trolley with swinging load is proposed. The system is designed as a controlled moving cart with pendulum for investigation of the hybrid motion control methods, involving the discrete sensors and impulsive event-based state observations and control actions. A mechatronic approach of principal system design, modeling, and identification are provided together with a motion control of the cart and simple event-based control of a-priori unknown final position. The coupled motion dynamics is analyzed and evaluated by using the discrete sensors, along with the control results.
Modelling Rainfall-induced Shallow Landslides at Different Scales Using SLIP - Part II
2016
Abstract This paper (Part II) is companion of another one published in this Conference (Part I). Both the papers describe the approach followed in the application of the SLIP model at different scales to foresee the triggering mechanism of rainfall-induced shallow landslides. In particular, this paper (Part II) focuses on the modeling at medium and large scale (regional and national level). The possibility of using the same means to model the phenomenon from the scale of the representative elementary volume (i.e. flume laboratory tests) to the medium and large scale (hundreds or thousands square kilometers wide areas) allowed from the one hand to strengthen the model assumptions and on the …
EFMviz
2020
Elementary Flux Modes (EFMs) are a tool for constraint-based modeling and metabolic network analysis. However, systematic and automated visualization of EFMs, capable of integrating various data types is still a challenge. In this study, we developed an extension for the widely adopted COBRA Toolbox, EFMviz, for analysis and graphical visualization of EFMs as networks of reactions, metabolites and genes. The analysis workflow offers a platform for EFM visualization to improve EFM interpretability by connecting COBRA toolbox with the network analysis and visualization software Cytoscape. The biological applicability of EFMviz is demonstrated in two use cases on medium (Escherichia coli, iAF1…
Quine’s Fluted Fragment is Non-elementary
2016
We study the fluted fragment, a decidable fragment of first-order logic with an unbounded number of variables, originally identified by W.V. Quine. We show that the satisfiability problem for this fragment has non-elementary complexity, thus refuting an earlier published claim by W.C. Purdy that it is in NExpTime. More precisely, we consider, for all m greater than 1, the intersectionof the fluted fragment and the m-variable fragment of first-order logic. We show that this subfragment forces (m/2)-tuply exponentially large models, and that its satisfiability problem is (m/2)-NExpTime-hard. We round off by using a corrected version of Purdy’s construction to show that the m-variable fluted f…
First measurement of the W-boson mass in run II of the Tevatron.
2007
7 pages, 4 figures.-- PACS nrs.: 14.70.Fm; 13.38.Be; 13.85.Qk.-- ISI Article Identifier: 000250140600014.-- ArXiv pre-print available at: http://arxiv.org/abs/0707.0085.-- et al.
Evidence for the production of three massive vector bosons with the ATLAS detector
2019
A search for the production of three massive vector bosons in proton–proton collisions is performed using data at TeV recorded with the ATLAS detector at the Large Hadron Collider in the years 2015–2017, corresponding to an integrated luminosity of 79.8 fb−1. Events with two same-sign leptons ℓ (electrons or muons) and at least two reconstructed jets are selected to search for . Events with three leptons without any same-flavour opposite-sign lepton pairs are used to search for , while events with three leptons and at least one same-flavour opposite-sign lepton pair and one or more reconstructed jets are used to search for . Finally, events with four leptons are analysed to search for and .…
Constraints on off-shell Higgs boson production and the Higgs boson total width in ZZ → 4ℓ and ZZ → 2ℓ2ν final states with the ATLAS detector
2018
A measurement of off-shell Higgs boson production in the and decay channels, where ℓ stands for either an electron or a muon, is performed using data from proton–proton collisions at a centre-of-mass energy of TeV. The data were collected by the ATLAS experiment in 2015 and 2016 at the Large Hadron Collider, and they correspond to an integrated luminosity of . An observed (expected) upper limit on the off-shell Higgs signal strength, defined as the event yield normalised to the Standard Model prediction, of 3.8 (3.4) is obtained at 95% confidence level (CL). Assuming the ratio of the Higgs boson couplings to the Standard Model predictions is independent of the momentum transfer of the Higgs…
ATLAS data quality operations and performance for 2015-2018 data-taking
2020
The ATLAS detector at the Large Hadron Collider reads out particle collision data from over 100 million electronic channels at a rate of approximately 100 kHz, with a recording rate for physics events of approximately 1 kHz. Before being certified for physics analysis at computer centres worldwide, the data must be scrutinised to ensure they are clean from any hardware or software related issues that may compromise their integrity. Prompt identification of these issues permits fast action to investigate, correct and potentially prevent future such problems that could render the data unusable. This is achieved through the monitoring of detector-level quantities and reconstructed collision ev…