Search results for " coordinate system"
showing 10 items of 77 documents
Anisotropy and symmetry for elastic properties of laminates reinforced by balanced fabrics
2001
In this article, we present a theoretical study on elastic properties of laminates composed by balanced fabric layers. Using the polar representation method for plane elastic tensors, we first describe some properties of symmetry of a general laminate composed by balanced fabrics and we write the formulas expressing positions of its axes of symmetry. Then, limiting our study to laminates composed of identical plies, we solve two problems of symmetry of the laminate elastic tensors: uncoupling and quasi-homogeneity. We found all the solutions of the uncoupling problem for the case of 3-, 4- and 5-ply laminate and all those of the quasi-homogeneity problem for the case of 4-, 5- and 6-ply lam…
Calculation of Raman parameters of real-size zigzag (n, 0) single-walled carbon nanotubes using finite-size models
2016
Structural and selected Raman features of pristine single-walled carbon nanotubes (SWCTNs) with diameters from 0.4 to 1.2 nm and total lengths up to 2.15 nm were studied using the density functional theory (DFT) at the UB3LYP/6-31G* level. Models of different lengths (1, 4, 6 and 10 adjacent bamboo-units) of zigzag (n, 0) SWCNTs, for n ranging from 5 to 15, were studied. Highly systematic changes of individual CC bond lengths and angles along the nanotube axis were observed and described for the longest models. Predicted Raman active radial breathing mode (RBM) vibrational frequencies regularly decreased upon increasing the nanotube diameter and only a negligible effect of the tube length w…
Skyrme effective pseudopotential up to next-to-next-to leading order
2013
The explicit form of the next-to-next-to-leading order ((NLO)-L-2) of the Skyrme effective pseudopotential compatible with all required symmetries and especially with gauge invariance is presented in a Cartesian basis. It is shown in particular that for such a pseudopotential there is no spin-orbit contribution and that the D-wave term suggested in the original Skyrme formulation does not satisfy the invariance properties. The six new (NLO)-L-2 terms contribute to both the equation of state and the Landau parameters. These contributions to symmetric nuclear matter are given explicitly and discussed.
Solution of universal nonrelativistic nuclear DFT equations in the Cartesian deformed harmonic-oscillator basis. (IX) HFODD (v3.06h) : a new version …
2021
We describe the new version (v3.06h) of the code HFODD that solves the universal nonrelativistic nuclear DFT Hartree-Fock or Hartree-Fock-Bogolyubov problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, we implemented the following new features: (i) zero-range three- and four-body central terms, (ii) zero-range three-body gradient terms, (iii) zero-range tensor terms, (iv) zero-range isospin-breaking terms, (v) finite-range higher-order regularized terms, (vi) finite-range separable terms, (vii) zero-range two-body pairing terms, (viii) multi-quasiparticle blocking, (ix) Pfaffian overlaps, (x) particle-number and parity symmetry restoration, (xi) axializatio…
Eine Bemerkung zur Frage der Verwendung Lagrangescher Koordinaten in der Physik nichtlinearer Schwingungen
1958
For the Cartesian coordinates of the elements of a vibrating string, which are introduced as functions of time and a parameter (similar to the Lagrangean method in hydrodynamics), a general, non-linear system of differential equations is offered. The behaviour of the freely vibrating string corresponding to this system agrees, approximately, with the behaviour of a string put in motion in a certain way, which string, if moving freely, would act according to the linear differential equation of the elementary theory.
Comparison of cartesian and lobe function Gaussian basis sets
1970
The lobe function and cartesian (spherical harmonic) gaussian are compared with reference to calculations for second-row atoms. Single and grouped gaussian basis sets which have been reported for cartesian functions are taken over directly to construct corresponding lobe function bases with identical sets of exponents and with lobe separations chosen by a scaling procedure. Total and orbital energies and SCF coefficients resulting from calculations on the second-row atoms using the two types of functions for both primitive and grouped gaussian basis sets are seen to be in excellent agreement, thereby emphasizing the essential equivalence of lobe functions and cartesian gaussians, at the ver…
Flux expressions and NEMD perturbations for models of semi-flexible molecules
2001
We derive energy and momentum flux expressions, for systems composed of a general class of semi-flexible molecules, in the Ciccotti-Ferrario-Ryckaert linear constraint formalism. According to this formalism, the whole set of Cartesian coordinates is divided into basic (independent) and secondary (dependent) subsets. It is found that energy and momentum flux vectors have a simple and general expression using both basic and secondary coordinates. In the case of non-equilibrium molecular dynamics, we give general and simple heat and shear flow algorithms, deriving the dissipative fluxes in the space of all Cartesian coordinates. In comparison with previous derivations for some models of flexib…
Simulations with Smoothed Particles Confirm Stationary Shocks in Accretion Flows onto Black Holes
1994
We present the results of time dependent numerical simulations of the accretion of gas onto Schartzschild black holes. We find that stable shocks are a common feature for flows of inviscid gas accreting with small angular momentum per unit mass. We used the Smoothed Particles Hydrodynamics tecnique, expressed into cylindrical coordinates to exploit the axial symmetry of the problem. For the case of 1-Dimensional axis-symmetric simulations we find that the shock location is exactly at the position predicted by the stationary analysis developed by Chakrabarti. We solve also the ambiguity related to the two possible shock positions: only the outer shock is stable. The case of 2-Dimensional axi…
Nonlocal energy density functionals for low-energy nuclear structure
2014
We introduce a finite-range pseudopotential built as an expansion in derivatives up to next-to-next-to-next-to-leading order (N$^3$LO) and we calculate the corresponding nonlocal energy density functional (EDF). The coupling constants of the nonlocal EDF, for both finite nuclei and infinite nuclear matter, are expressed through the parameters of the pseudopotential. All central, spin-orbit, and tensor terms of the pseudopotential are derived both in the spherical-tensor and Cartesian representation. At next-to-leading order (NLO), we also derive relations between the nonlocal EDF expressed in the spherical-tensor and Cartesian formalism. Finally, a simplified version of the finite-range pse…
Potential and energy of some spheroidal charge distributions with azimuthal symmetry
1989
Abstract The Poisson equation is solved for three types of spheroidal charge distributions with azimuthal symmetry, namely, those depending on one cartesian coordinate, on the radial cylindrical coordinate and on the radial spherical coordinate. The energy of such distributions is found for the case of power functions of these coordinates and it has been normalized, computed and plotted for some low values of the exponent.