Search results for "composition"
showing 10 items of 2675 documents
On the Rigorous Calculation of All Ohmic Losses in Rectangular Waveguide Multi-Port Junctions
2005
In this paper, all ohmic losses effects present in rectangular waveguide multi-port junctions are rigorous and efficiently computed. For this purpose, a new formulation based on the theory of cavities, which provides generalized admittance matrix representations for such junctions, is proposed. To validate this theory, we have successfully compared our results with numerical data of a lossy E-plane T-junction and of a hollow waveguide, as well as with experimental measurements of a real H-plane T-junction.
Accurate ab initio density fitting for multiconfigurational self-consistent field methods
2008
Using Cholesky decomposition and density fitting to approximate the electron repulsion integrals, an implementation of the complete active space self-consistent field (CASSCF) method suitable for large-scale applications is presented. Sample calculations on benzene, diaquo-tetra- μ -acetato-dicopper(II), and diuraniumendofullerene demonstrate that the Cholesky and density fitting approximations allow larger basis sets and larger systems to be treated at the CASSCF level of theory with controllable accuracy. While strict error control is an inherent property of the Cholesky approximation, errors arising from the density fitting approach are managed by using a recently proposed class of auxi…
Curvature dependence of surface free energy of liquid drops and bubbles: A simulation study.
2010
We study the excess free energy due to phase coexistence of fluids by Monte Carlo simulations using successive umbrella sampling in finite LxLxL boxes with periodic boundary conditions. Both the vapor-liquid phase coexistence of a simple Lennard-Jones fluid and the coexistence between A-rich and B-rich phases of a symmetric binary (AB) Lennard-Jones mixture are studied, varying the density rho in the simple fluid or the relative concentration x_A of A in the binary mixture, respectively. The character of phase coexistence changes from a spherical droplet (or bubble) of the minority phase (near the coexistence curve) to a cylindrical droplet (or bubble) and finally (in the center of the misc…
Systematic study of shell-model effective interaction insdshell
2014
The spin-tensor decomposition method has been used to analyse the shell model effective interactions in sd shell systematically. Almost all the interactions have been studied, including the microscopic interactions and phenomenological ones. It can be noticed that the discrepancies between the central force of microscopic interactions with the ones of empirical interactions are remarkable.
Towards an understanding of discrete ambiguities in truncated partial wave analyses
2017
It is well known that the observables in a single-channel scattering problem remain invariant once the amplitude is multiplied by an overall energy- and angle-dependent phase. This invariance is called the continuum ambiguity and acts on the infinite partial wave set. It has also long been known that, in the case of a truncated partial wave set, another invariance exists, originating from the replacement of the roots of partial wave amplitudes with their complex conjugate values. This discrete ambiguity is also known as the Omelaenko-Gersten-type ambiguity. In this paper, we show that for scalar particles, discrete ambiguities are just a subset of continuum ambiguities with a specific phase…
Two-dimensional optical wavelet decomposition with white-light illumination by wavelength multiplexing
2001
We present a novel method for achieving in real time a two-dimensional optical wavelet decomposition with white-light illumination. The underlying idea of the suggested method is wavelength multiplexing. The information in the different wavelet components of an input object is transmitted simultaneously in different wavelengths and summed incoherently at the output plane. Experimental results show the utility of the new proposed method.
Unmixing of binary alloys by a vacancy mechanism of diffusion: a computer simulation
1991
The initial stages of phase separation are studied for a model binary alloy (AB) with pairwise interactions e AA , e AB , e BB between nearest neighbors, assuming that there is no direct interchange of neighboring atoms possible, but only an indirect one mediated by vacancies (V) occurring in the system at a concentrationc v and which are strictly conserved, as are the concentrationsc A andc B of the two species.A-atoms may jump to vacant sites with jump rateГ A , B-atoms with jump rateГ B (in the absence of interactions). Particular attention is paid to the question to what extent nonuniform distribution of vacancies affects the unmixing kinetics. Our study focuses on the special caseГ A =…
Partial wave decomposition of the N3LO equation of state
2014
By means of a partial wave decomposition, we separate their contributions to the equation of state of symmetric nuclear matter for the N3LO pseudo-potential. In particular, we show that although both the tensor and the spin-orbit terms do not contribute to the equation of state, they give a non-vanishing contribution to the separate (JLS) channels.
SU-E-T-467: Monte Carlo Dosimetric Study of the New Flexisource Co-60 High Dose Rate Source.
2017
Recently, a new HDR 60Co brachytherapy source, Flexisource Co-60, has been developed (Nucletron B.V.). This study aims to obtain quality dosimetric data for this source for its use in clinical practice as required by AAPM and ESTRO.Penelope2008 and GEANT4 Monte Carlo codes were used to dosimetrically characterize this source. Water composition and mass density was that recommended by AAPM. Due to the high energy of the 60Co, dose for small distances cannot be approximated by collisional kerma. Therefore, we have considered absorbed dose to water for r0.75 cm and collisional kerma from 0.75r20 cm. To provide adequate spatial resolution, cells were 0.01 cm in thickness for r2 cm from the sour…
Spinodal decomposition of polymer solutions: A parallelized molecular dynamics simulation
2008
In simulations of phase separation kinetics, large length and time scales are involved due to the mesoscopic size of the polymer coils, and the structure formation on still larger scales of length and time. We apply a coarse-grained model of hexadecane dissolved in supercritical carbon dioxide, for which in previous work the equilibrium phase behavior has been established by Monte Carlo methods. Using parallelized simulations on a multiprocessor supercomputer, large scale molecular dynamics simulations of phase separation following pressure jumps are presented for systems containing $N=435\phantom{\rule{0.2em}{0ex}}136$ coarse-grained particles, which correspond to several millions of atoms…