Search results for "Computational physics"
showing 10 items of 725 documents
Internal shocks in relativistic outflows: collisions of magnetized shells
2007
(Abridged): We study the collision of magnetized irregularities (shells) in relativistic outflows in order to explain the origin of the generic phenomenology observed in the non-thermal emission of both blazars and gamma-ray bursts. We focus on the influence of the magnetic field on the collision dynamics, and we further investigate how the properties of the observed radiation depend on the strength of the initial magnetic field and on the initial internal energy density of the flow. The collisions of magnetized shells and the radiation resulting from these collisions are calculated using the 1D relativistic magnetohydrodynamics code MRGENESIS. The interaction of the shells with the externa…
Suppression of nonlinear Zeeman effect and heading error in earth-field-range alkali-vapor magnetometers
2018
The nonlinear Zeeman effect can induce splitting and asymmetries of magnetic-resonance lines in the geophysical magnetic field range. This is a major source of "heading error" for scalar atomic magnetometers. We demonstrate a method to suppress the nonlinear Zeeman effect and heading error based on spin locking. In an all-optical synchronously pumped magnetometer with separate pump and probe beams, we apply a radio-frequency field which is in-phase with the precessing magnetization. In an earth-range field, a multi-component asymmetric magnetic-resonance line with ? 60 Hz width collapses into a single peak with a width of 22 Hz, whose position is largely independent of the orientation of th…
Comparison of neutron and X-ray scattering of dilute myoglobin solutions.
1975
Experimental results obtained by neutron scattering of dilute solutions of myoglobin are compared with those obtained by X-ray scattering. X-ray scattering remains the more powerful technique at wider angles above 0.3 A−1, where neutron experiments are less accurate because of low coherent scattering probability and high incoherent background. Neutron scattering is preferable at momentum transfers below 0.2 A−1; the conditions for applying the contrast variation method for the evaluation of the three basic scattering functions, which are due to shape and internal structure, equation (3), are ideally fulfilled in this region. Furthermore, neutrons allow observation of the hydrogen-deuterium …
Density functional theory calculations on magnetic properties of actinide compounds
2010
We have performed a detailed analysis of the magnetic (collinear and noncollinear) order and atomic and the electron structures of UO2, PuO2 and UN on the basis of density functional theory with the Hubbard electron correlation correction (DFT+U). We have shown that the 3-k magnetic structure of UO2 is the lowest in energy for the Hubbard parameter value of U=4.6 eV (and J=0.5 eV) consistent with experiments when Dudarev's formalism is used. In contrast to UO2, UN and PuO2 show no trend for a distortion towards rhombohedral structure and, thus, no complex 3-k magnetic structure is to be anticipated in these materials.
Treatment of disorder effects in X-ray absorption spectra beyond the conventional approach
2020
The contribution of static and thermal disorder is one of the largest challenges for the accurate determination of the atomic structure from the extended X-ray absorption fine structure (EXAFS). Although there are a number of generally accepted approaches to solve this problem, which are widely used in the EXAFS data analysis, they often provide less accurate results when applied to outer coordination shells around the absorbing atom. In this case, the advanced techniques based on the molecular dynamics and reverse Monte Carlo simulations are known to be more appropriate: their strengths and weaknesses are reviewed here.
Transformation Algorithm of Dielectric Response in Time-Frequency Domain
2014
Published version of an article in the journal: Mathematical Problems in Engineering. Also available from the publisher at: http://dx.doi.org/10.1155/2014/547105 A transformation algorithm of dielectric response from time domain to frequency domain is presented. In order to shorten measuring time of low or ultralow frequency dielectric response characteristics, the transformation algorithm is used in this paper to transform the time domain relaxation current to frequency domain current for calculating the low frequency dielectric dissipation factor. In addition, it is shown from comparing the calculation results with actual test data that there is a coincidence for both results over a wide …
Femtosecond laser pulse shaping for enhanced ionization
2009
El pdf del artículo es la versión post-print: arXiv:0906.1938v1
Mode expansion for the density profiles of crystal–fluid interfaces: hard spheres as a test case
2012
We present a technique for analyzing the full three-dimensional density profiles of a planar crystal-fluid interface in terms of density modes. These density modes can also be related to crystallinity order parameter profiles which are used in coarse-grained, phase field type models of the statics and dynamics of crystal-fluid interfaces and are an alternative to crystallinity order parameters extracted from simulations using local crystallinity criteria. We illustrate our results for the hard sphere system using finely-resolved, three-dimensional density profiles from density functional theory of fundamental measure type.
Wide Angle X-ray Scattering as a Technique of Choice to Probe Asphaltene Hierarchical Structures
2020
Bitumens are composite systems extensively used in road pavements. Due to their complex nature, a rational understanding of the relationships between composition, structure and performances of these materials is still far from being achieved, so research attempting to shed more light in this field is required. Here, we exploit Wide Angle X-ray Scattering (WAXS) as a technique of choice to shed light on the bitumen structure at different length scales. Diagnostic fingerprints, characterizing the WAXS profile, are correlated to specific Bragg distances which can be reasonably attributed to the molecular and supramolecular aggregation taking place at various levels of complexity leading to the…
Modeling epitaxial film growth of C$_{60}$ revisited
2020
Epitaxial films evolve on time and length scales that are inaccessible to atomistic computer simulation methods like molecular dynamics (MD). To numerically predict properties for such systems, a common strategy is to employ kinetic Monte Carlo simulations, for which one needs to know the transition rates of the involved elementary steps. The main challenge is thus to formulate a consistent model for the set of transition rates and to determine its parameters. Here, we revisit a well-studied model system, the epitaxial film growth of the fullerene ${\mathrm{C}}_{60}$ on an ordered ${\mathrm{C}}_{60}$ substrate (111). We implement a systematic multiscale approach in which we determine transi…