Search results for "Computational physics"
showing 10 items of 725 documents
Tracing the ICME plasma with a MHD simulation
2021
The determination of the chemical composition of interplanetary coronal mass ejection (ICME) plasma is an open issue. More specifically, it is not yet fully understood how remote sensing observations of the solar corona plasma during solar disturbances evolve into plasma properties measured in situ away from the Sun. The ambient conditions of the background interplanetary plasma are important for space weather because they influence the evolutions, arrival times, and geo-effectiveness of the disturbances. The Reverse In situ and MHD APproach (RIMAP) is a technique to reconstruct the heliosphere on the ecliptic plane (including the magnetic Parker spiral) directly from in situ measurements a…
A fast multi-dimensional magnetohydrodynamic formulation of the transition region adaptive conduction (TRAC) method
2021
We have demonstrated that the Transition Region Adaptive Conduction (TRAC) method permits fast and accurate numerical solutions of the field-aligned hydrodynamic equations, successfully removing the influence of numerical resolution on the coronal density response to impulsive heating. This is achieved by adjusting the parallel thermal conductivity, radiative loss, and heating rates to broaden the transition region (TR), below a global cutoff temperature, so that the steep gradients are spatially resolved even when using coarse numerical grids. Implementing the original 1D formulation of TRAC in multi-dimensional magnetohydrodynamic (MHD) models would require tracing a large number of magne…
Anhamonic finite temperature effects on the Raman and Infrared spectra to determine the crystal structure phase III of solid molecular hydrogen
2013
We present theoretical calculations of the Raman and IR spectra, as well as electronic properties at zero and finite temperature to elucidate the crystal structure of phase III of solid molecular hydrogen. We find that anharmonic finite temperature are particularly important and qualitatively influences the main conclusions. While P6$_3$/m is the most likely candidate for phase III at the nuclear ground state, at finite temperature the C2/c structure appears to be more suitable.
Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations
2015
The structure and dynamics of the water/vapor interface is revisited by means of path-integral and second-generation Car-Parrinello ab-initio molecular dynamics simulations in conjunction with an instantaneous surface definition [A. P. Willard and D. Chandler, J. Phys. Chem. B 114, 1954 (2010)]. In agreement with previous studies, we find that one of the OH bonds of the water molecules in the topmost layer is pointing out of the water into the vapor phase, while the orientation of the underlying layer is reversed. Therebetween, an additional water layer is detected, where the molecules are aligned parallel to the instantaneous water surface.
On the use of the absorbed depth-dose measurements in the beam calibration of a surface electronic high-dose-rate brachytherapy unit, a Monte Carlo-b…
2019
PURPOSE To evaluate the use of the absorbed depth-dose as a surrogate of the half-value layer in the calibration of a high-dose-rate electronic brachytherapy (eBT) equipment. The effect of the manufacturing tolerances and the absorbed depth-dose measurement uncertainties in the calibration process are also addressed. METHODS The eBT system Esteya® (Elekta Brachytherapy, Veenendaal, The Netherlands) has been chosen as a proof-of-concept to illustrate the feasibility of the proposed method, using its 10 mm diameter applicator. Two calibration protocols recommended by the AAPM (TG-61) and the IAEA (TRS-398) for low-energy photon beams were evaluated. The required Monte Carlo (MC) simulations w…
Kinetics of Surface Chemical Reactions from a Digital Video
2020
In the last few years, the color analysis of the studied surface has been regarded as a nonexpensive way to obtain not only the spectrochemical data but also the spatiotemporal information of the entire surface. Mean color intensities and standard deviation calculated from the red, green, and blue color histograms of digital images of surfaces have been considered particularly useful for the chemical understanding of surface kinetics. The shape of curves, the maximum of peaks, or the half-peak widths depend on the kinetic constants and on the kinetic order of the surface chemical process. Some strategies used for obtaining the kinetics from RGB color intensities and their standard deviation…
MUSIC-characterization of small scatterers for normal measurement data
2009
We investigate the reconstruction of the positions of a collection of small metallic objects buried beneath the ground from measurements of the vertical component of scattered fields corresponding to vertically polarized dipole excitations on a horizontal two-dimensional measurement device above the surface of the ground. A MUSIC reconstruction method for this problem has recently been proposed by Iakovleva et al (2007 IEEE Trans. Antennas Propag. 55 2598). In this paper, we give a rigorous theoretical justification of this method. To that end we prove a characterization of the positions of the scatterers in terms of the measurement data, applying an asymptotic analysis of the scattered fie…
Does Young's equation hold on the nanoscale? A Monte Carlo test for the binary Lennard-Jones fluid
2010
When a phase-separated binary ($A+B$) mixture is exposed to a wall, that preferentially attracts one of the components, interfaces between A-rich and B-rich domains in general meet the wall making a contact angle $\theta$. Young's equation describes this angle in terms of a balance between the $A-B$ interfacial tension $\gamma_{AB}$ and the surface tensions $\gamma_{wA}$, $\gamma_{wB}$ between, respectively, the $A$- and $B$-rich phases and the wall, $\gamma _{AB} \cos \theta =\gamma_{wA}-\gamma_{wB}$. By Monte Carlo simulations of bridges, formed by one of the components in a binary Lennard-Jones liquid, connecting the two walls of a nanoscopic slit pore, $\theta$ is estimated from the inc…
Surface Studies with Slow Positron Beaks
1984
Slow-positron physics is an exciting and rapidly advancing field. The continuing progress in the development of intense monochromatic beams of low-energy positrons has made it possible to perform a number of landmark experiments, where the interaction of the positron with solid surfaces plays a central role. These experiments either deal with fundamental atomic physics (positronium spectroscopy) or focus on the electronic and atomic properties of the surface region, using positrons as a probe. In the former category, the surface is involved just as an efficient source of positronium-like atoms. On the other hand, in the second category of experiments the surface i s the main object of study…
A dosimetric study on the Ir-192 high dose rate Flexisource
2006
In this work, the dose rate distribution of a new Ir-192 high dose rate source (Flexisource used in the afterloading Flexitron system, Isodose Control, Veenendaal, The Netherlands) is studied by means of Monte Carlo techniques using the GEANT4 code. The dosimetric parameters of the Task Group No. 43 Report (TG43) formalism and two-dimensional rectangular look-up tables have been obtained.