Search results for "routing"
showing 10 items of 587 documents
Inflammation-Induced Intussusceptive Angiogenesis in Murine Colitis
2010
Intussusceptive angiogenesis is a morphogenetic process that forms new blood vessels by the division of a single blood vessel into two lumens. Here, we show that this process of intraluminal division participates in the inflammation-induced neovascularization associated with chemically induced murine colitis. In studies of both acute (4-7 days) and chronic (28-31 days) colitis, intravital microscopy of intravascular tracers demonstrated a twofold reduction in blood flow velocity. In the acute colitis model, the decreased velocity was associated with marked dilatation of the mucosal plexus. In contrast, chronic inflammation was associated with normal caliber vessels and duplication (and trip…
An empirically grounded agent based simulator for the air traffic management in the SESAR scenario
2017
In this paper we present a simulator allowing to perform policy experiments relative to the air traffic management. Different SESAR solutions can be implemented in the model to see the reaction of the different stakeholders as well as other relevant metrics (delay, safety, etc). The model describes both the strategic phase associated to the planning of the flight trajectories and the tactical modifications occurring in the en-route phase. An implementation of the model is available as an open-source software and is freely accessible by any user. More specifically, different procedures related to business trajectories and free-routing are tested and we illustrate the capabilities of the mode…
A computational method for the Helmholtz equation in unbounded domains based on the minimization of an integral functional
2012
Abstract We study a new approach to the problem of transparent boundary conditions for the Helmholtz equation in unbounded domains. Our approach is based on the minimization of an integral functional arising from a volume integral formulation of the radiation condition. The index of refraction does not need to be constant at infinity and may have some angular dependency as well as perturbations. We prove analytical results on the convergence of the approximate solution. Numerical examples for different shapes of the artificial boundary and for non-constant indexes of refraction will be presented.
Convergence of Nuclear Magnetic Shieldings in the Kohn-Sham Limit for Several Small Molecules.
2015
Convergence patterns and limiting values of isotropic nuclear magnetic shieldings were studied for several small molecules (N2, CO, CO2, NH3, CH4, C2H2, C2H4, C2H6, and C6H6) in the Kohn-Sham limit. Individual results of calculations using dedicated families of Jensen's basis sets (pcS-n and pcJ-n) were fitted toward the complete basis set limit (CBS) using a simple two-parameter formula. Several density functionals were used; calculated vibrational corrections (ZPV) applied; and, for comparison purposes, similar calculations performed using RHF, MP2, SOPPA, SOPPA(CCSD), and CCSD(T) methods and additionally, the aug-cc-pVTZ-J basis set. Finally, the CBS estimated results were critically com…
W3 theory: robust computational thermochemistry in the kJ/mol accuracy range
2003
We are proposing a new computational thermochemistry protocol denoted W3 theory, as a successor to W1 and W2 theory proposed earlier [Martin and De Oliveira, J. Chem. Phys. 111, 1843 (1999)]. The new method is both more accurate overall (error statistics for total atomization energies approximately cut in half) and more robust (particularly towards systems exhibiting significant nondynamical correlation) than W2 theory. The cardinal improvement rests in an approximate account for post-CCSD(T) correlation effects. Iterative T_3 (connected triple excitations) effects exhibit a basis set convergence behavior similar to the T_3 contribution overall. They almost universally decrease molecular bi…
Explicitly correlated connected triple excitations in coupled-cluster theory.
2009
A way to incorporate explicit electron correlation into connected triple excitations in coupled-cluster theory is proposed. The new ansatz is applied to the coupled-cluster singles and doubles model with noniterative triple excitations [CCSD(T)] and does not introduce any further sets of equations to be solved. A first implementation using automated generation and string-based evaluation of the explicit expressions is reported. The results demonstrate that the ansatz significantly enhances the basis set convergence of the noniterative triple excitation correction and thus improves upon previous approaches to explicitly correlated CCSD(T).
Towards the Hartree-Fock and coupled-cluster singles and doubles basis set limit: A study of various models that employ single excitations into a com…
2010
In explicitly correlated coupled-cluster singles and doubles [CCSD(F12)] calculations, the basis set incompleteness error in the double excitations is reduced to such an extent that the error in the Hartree–Fock energy and the error in the single excitations become important. Using arguments from perturbation theory to systematically truncate the coupled-cluster singles and CCSD(F12) Lagrangians, a series of coupled-cluster models are proposed and studied that reduce these basis set incompleteness errors through additional single excitations into a complementary auxiliary basis. Convergence with model and size of complementary basis is rapid and there appears to be no need to go beyond seco…
Glassy dynamics in confinement: planar and bulk limits of the mode-coupling theory.
2014
We demonstrate how the matrix-valued mode-coupling theory of the glass transition and glassy dynamics in planar confinement converges to the corresponding theory for two-dimensional (2D) planar and the three-dimensional bulk liquid, provided the wall potential satisfies certain conditions. Since the mode-coupling theory relies on the static properties as input, the emergence of a homogeneous limit for the matrix-valued intermediate scattering functions is directly connected to the convergence of the corresponding static quantities to their conventional counterparts. We show that the 2D limit is more subtle than the bulk limit, in particular, the in-planar dynamics decouples from the motion …
Analysis of the finite difference time domain technique to solve the Schrödinger equation for quantum devices
2004
An extension of the finite difference time domain is applied to solve the Schrödinger equation. A systematic analysis of stability and convergence of this technique is carried out in this article. The numerical scheme used to solve the Schrödinger equation differs from the scheme found in electromagnetics. Also, the unit cell employed to model quantum devices is different from the Yee cell used by the electrical engineering community. A bound for the time step is derived to ensure stability. Several numerical experiments in quantum structures demonstrate the accuracy of a second order, comparable to the analysis of electromagnetic devices with the Yee cell. a!Electronic mail: Antonio.Sorian…
Termination of the MRI via parasitic instabilities in core-collapse supernovae: influence of numerical methods
2016
We study the influence of numerical methods and grid resolution on the termination of the magnetorotational instability (MRI) by means of parasitic instabilities in three-dimensional shearing-disc simulations reproducing typical conditions found in core-collapse supernovae. Whether or not the MRI is able to amplify weak magnetic fields in this context strongly depends, among other factors, on the amplitude at which its growth terminates. The qualitative results of our study do not depend on the numerical scheme. In all our models, MRI termination is caused by Kelvin-Helmholtz instabilities, consistent with theoretical predictions. Quantitatively, however, there are differences, but numerica…