Search results for "rotation"
showing 10 items of 935 documents
Quantum-chemical calculation of Born–Oppenheimer breakdown parameters to rotational constants
2010
The paper describes how Born–Oppenheimer breakdown parameters for the rotational constants of diatomic molecules can be determined via quantum-chemical computations. The deviations from the Born–Oppenheimer equilibrium values are accounted for by considering the adiabatic correction to the equilibrium bond distances, the electronic contribution to the rotational constant via the rotational g tensor, and the so-called Dunham correction, which can be computed directly from a polynomial expansion of the potential curve around the equilibrium distance. Calculations for HCl, SiS, and HF demonstrate the accuracy that can be achieved in the theoretical treatment of the considered Born–Oppenheimer …
Shape transitions of giant liposomes induced by an anisotropic spontaneous curvature
2000
International audience; We explore how a magnetic field breaks the symmetry of an initially spherical giant liposome filled with a magnetic colloid. The condition of rotational symmetry along the field axis leads either to a prolate or to an oblate ellipsoid. We demonstrate that an electrostatic interaction between the nanoparticles and the membrane triggers the shape transition. PACS numbers: 75.
BEAM ELEMENT UNDER FINITE ROTATIONS
2021
The present work focuses on the 2-D formulation of a nonlinear beam model for slender structures that can exhibit large rotations of the cross sections while remaining in the small-strain regime. Bernoulli-Euler hypothesis that plane sections remain plane and perpendicular to the deformed beam centerline is combined with a linear elastic stress-strain law. The formulation is based on the integrated form of equilibrium equations and leads to a set of three first-order differential equations for the displacements and rotation, which are numerically integrated using a special version of the shooting method. The element has been implemented into an open-source finite element code to ease comput…
Gas-phase detection of HSOH: synthesis by flash vacuum pyrolysis of di-tert-butyl sulfoxide and rotational-torsional spectrum.
2003
Gas-phase oxadisulfane (HSOH), the missing link between the well-known molecules hydrogen peroxide (HOOH) and disulfane (HSSH), was synthesized by flash vacuum pyrolysis of di-tert-butyl sulfoxide. Using mass spectrometry, the pyrolysis conditions have been optimized towards formation of HSOH. Microwave spectroscopic investigation of the pyrolysis products allowed-assisted by high-level quantum-chemical calculations--the first measurement of the rotational-torsional spectrum of HSOH. In total, we have measured approximately 600 lines of the rotational-torsional spectrum in the frequency range from 64 GHz to 1.9 THz and assigned some 470 of these to the rotational-torsional spectrum of HSOH …
Control of hysteretic instability in rotating machinery by elastic suspension systems subject to dry and viscous friction
2010
Abstract Most of the undesired whirling motions of rotating machines can be efficiently reduced by supporting journal boxes elastically and controlling their movement by viscous dampers or by dry friction surfaces normal to the shaft axis, which rub against the frame. In the case of dry dampers, resonance ranges of the floating support configuration can be easily cut off by planning a motionless adhesive state of the friction surfaces. On the contrary, the dry friction contact must change automatically into sliding conditions when the fixed support resonances are to be feared. Moreover, the whirl amplitude can be restrained throughout the speed range by a proper choice of the suspension-to-…
Matched asymptotic solution for the solute boundary layer in a converging axisymmetric stagnation point flow
2007
Abstract A novel boundary-layer solution is obtained by the method of matched asymptotic expansions for the solute distribution at a solidification front represented by a disk of finite radius R 0 immersed in an axisymmetric converging stagnation point flow. The detailed analysis reveals a complex internal structure of the boundary layer consisting of eight subregions. The development of the boundary layer starts from the rim region where the concentration, according to the obtained similarity solution, varies with the radius r along the solidification front as ∼ln 1/3 ( R 0 / r ). At intermediate radii, where the corresponding concentration is found to vary as ∼ln( R 0 / r ), the boundary …
A mathematical simulation of high temperature induction heating of electroconductive solids
2007
The mathematical model of non-stationary coupled electromagnetic and thermal processes in polarizable and magnetizable axisymmetric electroconductive solids subjected to electromagnetic field generated by external currents is proposed. The processes parameters are connected through heat sources and temperature dependence of material characteristics. The problem is solved by finite element method. The process of induction heating of a finite steel cylinder is considered.
Quincke rotation driven flows
2020
In density-matched suspensions of Quincke particles, macroscopic flow arises due to the synchronization of their rotations at electric-field values smaller than the threshold field for the spontaneous rotation of a single particle.
Independent friction-restitution modeling of two-disk collisions
2021
[EN] The oblique collisions between two axisymmetric disks moving on a flat horizontal surface are described in terms of impact modeling based on the assumption that normal and tangential restitution mechanisms operate independently of friction. Describing these mechanisms in terms of the usual Coulomb formulation, the model allows for an interpretation of some ¿anomalous¿ experimental data reported in the literature. These experimental data, corresponding to the variation of the coefficients of friction and tangential restitution with the impact angle, remained unexplained in classic formulations, are understood within the framework of the independent friction-restitution closure. Experime…
D2hTDS-ST Software for Stark Spectrum Simulation of X2Y4 Asymmetric-Top Molecules
2011
Abstract We present the D 2 h TDS-ST ( D 2 h -Top Data System for Stark effect) program suite with the aim to simulate Stark spectra of any IR active rovibrational polyad of X 2 Y 4 ( D 2 h ) asymmetric-top molecules. D 2 h TDS-ST consists in a series of FORTRAN programs called by scripts. For calculation of Stark spectra, we obtained the expressions of the dipole moment and polarizability operators of X 2 Y 4 molecules using a tensorial formalism. For convenience, we integrated the D 2 h TDS-ST programs into the D 2 h TDS package. The D 2 h TDS suite (including the D 2 h TDS-ST programs) is freely available at the URL: http://icb.u-bourgogne.fr/OMR/SMA/SHTDS/D2HTDS.html .