Search results for "simulations"
showing 10 items of 288 documents
Comparing equilibration schemes of high-molecular-weight polymer melts with topological indicators.
2021
Abstract Recent theoretical studies have demonstrated that the behaviour of molecular knots is a sensitive indicator of polymer structure. Here, we use knots to verify the ability of two state-of-the-art algorithms—configuration assembly and hierarchical backmapping—to equilibrate high-molecular-weight (MW) polymer melts. Specifically, we consider melts with MWs equivalent to several tens of entanglement lengths and various chain flexibilities, generated with both strategies. We compare their unknotting probability, unknotting length, knot spectra, and knot length distributions. The excellent agreement between the two independent methods with respect to knotting properties provides an addit…
Observational constraints on decoupled hidden sectors
2016
We consider an extension of the Standard Model with a singlet sector consisting of a real (pseudo)scalar and a Dirac fermion coupled with the Standard Model only via the scalar portal. We assume that the portal coupling is weak enough for the singlet sector not to thermalize with the Standard Model allowing the production of singlet particles via the freeze-in mechanism. If the singlet sector interacts with itself sufficiently strongly, it may thermalize within itself, resulting in dark matter abundance determined by the freeze-out mechanism operating within the singlet sector. We investigate this scenario in detail. In particular, we show that requiring the absence of inflationary isocurva…
Water-Hydrophobic Zeolite Systems
2012
Water intrusion-extrusion in hydrophobic microporous AFI, IFR, MTW and TON pure silica zeolites (zeosils) has been investigated through molecular dynamics (MD) simulations. It was found that intruded water volumes correlate with the free volume of the zeosil unit cells. Calculated adsorption isotherms allowed us to estimate the amounts of water intruded, and deviations from experiments (lower experimental with respect to calculated intrusion pressures) have been;explained in terms of connectivity defects in the synthesized materials. Water phase transitions in defectless zeosils occur in a narrow range at high pressure. On the basis of a simple model, we derived a thermodynamic equation tha…
A study of the material in the ATLAS inner detector using secondary hadronic interactions
2011
The ATLAS inner detector is used to reconstruct secondary vertices due to hadronic interactions of primary collision products, so probing the location and amount of material in the inner region of ATLAS. Data collected in 7 TeV pp collisions at the LHC, with a minimum bias trigger, are used for comparisons with simulated events. The reconstructed secondary vertices have spatial resolutions ranging from ~ 200μm to 1 mm. The overall material description in the simulation is validated to within an experimental uncertainty of about 7%. This will lead to a better understanding of the reconstruction of various objects such as tracks, leptons, jets, and missing transverse momentum.
Study of the material of the ATLAS inner detector for Run 2 of the LHC
2017
The ATLAS inner detector comprises three different sub-detectors: the pixel detector, the silicon strip tracker, and the transition-radiation drift-tube tracker. The Insertable B-Layer, a new innermost pixel layer, was installed during the shutdown period in 2014, together with modifications to the layout of the cables and support structures of the existing pixel detector. The material in the inner detector is studied with several methods, using a low-luminosity root s = 13 TeV pp collision sample corresponding to around 2.0 nb(-1) collected in 2015 with the ATLAS experiment at the LHC. In this paper, the material within the innermost barrel region is studied using reconstructed hadronic in…
Effects of nonlinearity and substrate’s deformability on modulation instability in NKG equation
2017
International audience; This article investigates combined effects of nonlinearities and substrate's deformability on modulational instability. For that, we consider a lattice model based on the nonlinear Klein-Gordon equation with an on-site potential of deformable shape. Such a consideration enables to broaden the description of energy-localization mechanisms in various physical systems. We consider the strong-coupling limit and employ semi-discrete approximation to show that nonlinear wave modulations can be described by an extended nonlinear Schrodinger equation containing a fourth-order dispersion component. The stability of modulation of carrier waves is scrutinized and the following …
A layer correlation technique for pion energy calibration at the 2004 ATLAS Combined Beam Test
2010
A new method for calibrating the hadron response of a segmented calorimeter is developed and successfully applied to beam test data. It is based on a principal component analysis of energy deposits in the calorimeter layers, exploiting longitudinal shower development information to improve the measured energy resolution. Corrections for invisible hadronic energy and energy lost in dead material in front of and between the calorimeters of the ATLAS experiment were calculated with simulated Geant4 Monte Carlo events and used to reconstruct the energy of pions impinging on the calorimeters during the 2004 Barrel Combined Beam Test at the CERN H8 area. For pion beams with energies between 20GeV…
The Monte Carlo simulation of the Borexino detector
2017
We describe the Monte Carlo (MC) simulation package of the Borexino detector and discuss the agreement of its output with data. The Borexino MC 'ab initio' simulates the energy loss of particles in all detector components and generates the resulting scintillation photons and their propagation within the liquid scintillator volume. The simulation accounts for absorption, reemission, and scattering of the optical photons and tracks them until they either are absorbed or reach the photocathode of one of the photomultiplier tubes. Photon detection is followed by a comprehensive simulation of the readout electronics response. The algorithm proceeds with a detailed simulation of the electronics c…
Plenty of motion at the bottom: atomically thin liquid gold membrane
2015
The discovery of graphene some ten years ago was the first proof of a free-standing two-dimensional (2D) solid phase. Here, using quantum molecular dynamics simulations of nanoscale gold patches suspended in graphene pores, we predict the existence of an atomically thin, free-standing 2D liquid phase. The liquid phase, enabled by the exceptional planar stability of gold due to relativistic effects, demonstrates extreme fluxionality of metal nanostructures and opens possibilities for a variety of nanoscale phenomena.
MC calculations for the nEDM experiment systematics
2010
International audience; The nEDM experiment hosted at the Paul Scherrer Institute is the flagship project at the new ultracold neutron facility. Estimations of systematic effects for the determination of the neutron electric dipole moment play an important role in this project. Experimental studies are supported by Monte Carlo simulations using the MCUCN code. Here we briefly present first results on the experimental benchmark of the model, and on the evaluation of the storage time dependence of the centre of mass of UCN in the nEDM precession chamber. Such time dependence calculations will serve as consistency tests for future measurements involving field gradient corrections of the Ramsey…