Search results for "Computational physics"
showing 10 items of 725 documents
Dynamic stabilization of the magnetic field surrounding the neutron electric dipole moment spectrometer at the Paul Scherrer Institute
2014
The Surrounding Field Compensation (SFC) system described in this work is installed around the four-layer Mu-metal magnetic shield of the neutron electric dipole moment spectrometer located at the Paul Scherrer Institute. The SFC system reduces the DC component of the external magnetic field by a factor of about 20. Within a control volume of approximately 2.5m x 2.5m x 3m disturbances of the magnetic field are attenuated by factors of 5 to 50 at a bandwidth from $10^{-3}$ Hz up to 0.5 Hz, which corresponds to integration times longer than several hundreds of seconds and represent the important timescale for the nEDM measurement. These shielding factors apply to random environmental noise f…
Magnetic field uniformity in neutron electric dipole moment experiments
2019
© 2019 American Physical Society. Magnetic-field uniformity is of the utmost importance in experiments to measure the electric dipole moment of the neutron. A general parametrization of the magnetic field in terms of harmonic polynomial modes is proposed, going beyond the linear-gradients approximation. We review the main undesirable effects of nonuniformities: depolarization of ultracold neutrons and Larmor frequency shifts of neutrons and mercury atoms. The theoretical predictions for these effects were verified by dedicated measurements with the single-chamber neutron electric-dipole-moment apparatus installed at the Paul Scherrer Institute. ispartof: Physical Review A vol:99 issue:4 sta…
Fracture Processes Observed with A Cryogenic Detector
2006
In the early stages of running of the CRESST dark matter search using sapphire detectors at very low temperature, an unexpectedly high rate of signal pulses appeared. Their origin was finally traced to fracture events in the sapphire due to the very tight clamping of the detectors. During extensive runs the energy and time of each event was recorded, providing large data sets for such phenomena. We believe this is the first time the energy release in fracture has been directly and accurately measured on a microscopic event-by-event basis. The energy threshold corresponds to the breaking of only a few hundred covalent bonds, a sensitivity some orders of magnitude greater than that of previou…
A new discretization for the polarizable continuum model within the domain decomposition paradigm
2016
International audience; We present a new algorithm to solve the polarizable continuum model equation in a framework compatible with the strategy previously developed by us for the conductor-like screening model based on Schwarz’s domain decomposition method (ddCOSMO). The new discretization is systematically improvable and is fully consistent with ddCOSMO so that it reproduces ddCOSMO results for large dielectric constants.
On the equivalence between the Scheduled Relaxation Jacobi method and Richardson's non-stationary method
2017
The Scheduled Relaxation Jacobi (SRJ) method is an extension of the classical Jacobi iterative method to solve linear systems of equations ($Au=b$) associated with elliptic problems. It inherits its robustness and accelerates its convergence rate computing a set of $P$ relaxation factors that result from a minimization problem. In a typical SRJ scheme, the former set of factors is employed in cycles of $M$ consecutive iterations until a prescribed tolerance is reached. We present the analytic form for the optimal set of relaxation factors for the case in which all of them are different, and find that the resulting algorithm is equivalent to a non-stationary generalized Richardson's method. …
Scheduled Relaxation Jacobi method: improvements and applications
2016
Elliptic partial differential equations (ePDEs) appear in a wide variety of areas of mathematics, physics and engineering. Typically, ePDEs must be solved numerically, which sets an ever growing demand for efficient and highly parallel algorithms to tackle their computational solution. The Scheduled Relaxation Jacobi (SRJ) is a promising class of methods, atypical for combining simplicity and efficiency, that has been recently introduced for solving linear Poisson-like ePDEs. The SRJ methodology relies on computing the appropriate parameters of a multilevel approach with the goal of minimizing the number of iterations needed to cut down the residuals below specified tolerances. The efficien…
Cutoff dependence of the thrust peak position in the dipole shower
2020
We analyse the dependence of the peak position of the thrust distribution on the cutoff value in the Nagy-Soper dipole shower. We compare the outcome of the parton shower simulations to a relation of the dependence from an analytic computation, derived within soft-collinear effective theory. We show that the result of the parton shower simulations and the analytic computation are in good agreement.
Experimental observations of topologically guided water waves within non-hexagonal structures
2020
International audience; We investigate symmetry-protected topological water waves within a strategically engineered square lattice system. Thus far, symmetry protected topological modes in hexagonal systems have primarily been studied in electromagnetism and acoustics, i.e., dispersionless media. Herein, we show experimentally how crucial geometrical properties of square structures allow for topological transport that is ordinarily forbidden within conventional hexagonal structures. We perform numerical simulations that take into account the inherent dispersion within water waves and devise a topological insulator that supports symmetry-protected transport along the domain walls. Our measur…
Frequency Range Selection Method for Vibrational Spectra
2018
Theoretical calculations of vibrational properties are widely used to explain and predict experimental spectra. However, with standard quantum chemical methods all molecular motions are considered, which is rather time-consuming for large molecules. Because typically only a specific spectral region is of experimental interest, we propose here an efficient method that allows calculation of only a selected frequency interval. After a computationally cheap low-level estimate of the molecular motions, the computational time is proportional to the number of normal modes needed to describe this frequency range. Results for a medium-sized molecule show a reduction in computational time of up to 1 …
First-Principles Computed Rate Constant for the O + O 2 Isotopic Exchange Reaction Now Matches Experiment
2018
We show, by performing exact time-independent quantum molecular scattering calculations, that the quality of the ground electronic state global potential energy surface appears to be of utmost importance in accurately obtaining even as strongly averaged quantities as kinetic rate constants. The oxygen isotope exchange reaction, 18O + 32O2, motivated by the understanding of a complex long-standing problem of isotopic ozone anomalies in the stratosphere and laboratory experiments, is explored in this context. The thermal rate constant for this key reaction is now in quantitative agreement with all experimental data available to date. A significant recent progress at the frontier of three rese…