Search results for "ROTATIONAL"
showing 10 items of 381 documents
Are we correctly measuring the rotational viscosity of heterogeneous bituminous binders?
2020
Modified bituminous binders allow asphalt technologists to design asphalt mixtures with superior performance. However, several recent studies highlighted that due to the complexity of these material, their characterisation can be challenging since common procedures used to characterise neat bitumen might not be adequate. For instance, during high temperature rotational viscosity testing of recycled tyre rubber modified binders (RTR-MB), a number of changes may occur to the sample leading to the here-defined sample stability which in turn provides misleading results. In this study the authors want to first provide a deeper understanding of this phenomenon by a numerical analysis using a besp…
Nonlinear Raman Spectroscopy in Gases
1992
0022-2860; Recent progress in high-resolution non-linear coherent Raman spectroscopy in the gas phase is reviewed. An instrumental spectral resolution of less than 100 MHz can be routinely achieved. It is limited by the convoluted linewidths of the lasers used for excitation and is of particular advantage in the gas phase, where the rotational structure of vibrational bands is to be resolved. It also allows the measurement of linewidths and line positions with an accuracy of 60 MHz when an appropriate wavemeter is used for calibration. After a short overview of the various techniques being used, examples of recent results of the evaluation of measurements on nitrogen, oxygen, carbon dioxide…
Quantum-chemical determination of Born–Oppenheimer breakdown parameters for rotational constants: the open-shell species CN, CO+ and BO
2013
The quantum-chemical protocol for computing Born-Oppenheimer breakdown corrections to rotational constants in the case of diatomic molecules is extended to open-shell species. The deviation from the Born-Oppenheimer equilibrium rotational constant is obtained by considering three contributions: the adiabatic correction to the equilibrium bond distance, the electronic contribution to the moment of inertia requiring the computation of the rotational g-tensor, and the so-called Dunham correction. Values for the Born-Oppenheimer breakdown parameters of CN, CO+, and BO in their (2)sigma(+) electronic ground states are reported based on coupled-cluster calculations of the involved quantities and …
The vibrational levels of methane obtained from analyses of high-resolution spectra
2006
International audience; Methane and its tetrahedral isotopologues are spherical-top molecules whose high-resolution rovibrational spectra can only be analyzed in detail, thanks to sophisticated symmetry-adapted tensorial models. However, the effective Hamiltonian parameters of such models do not give direct access to the positions of the vibrational sublevels. In this paper, we present a calculation of the vibrational level positions for 12CH4, 13CH4, 12CD4 and 13CD4 performed using the effective Hamiltonian parameters obtained through recent analyses. We also include the results of a re-analysis of the octad system of 12CH4 performed with a higher order of the development which slightly im…
Rotational spectra and hyperfine structure of isotopic species of deuterated cyanoacetylene, DC3N
2008
Abstract Cyanoacetylene enriched in deuterium was used to record pure rotational transitions of DC 3 N and its rare 13 C and 15 N isotopic species by employing Fourier transform microwave (FTMW) spectroscopy on a supersonic-jet expansion at centimeter wavelengths (8.2–25.4 GHz) and by using long-path absorption spectroscopy at millimeter and submillimeter wavelengths (82–900 GHz). In addition, submillimeter wave measurements (304–897 GHz) have been performed for DC 3 N in its v 7 = 1 lowest excited vibrational state. Hyperfine structure caused by the 14 N and D nuclei has been resolved in the FTMW spectra. Quantum-chemical calculations have been performed on the hyperfine structure paramete…
Mechanical work and efficiency in treadmill running at aerobic and anaerobic thresholds
1990
Mechanical work, mechanical power, energy consumption and mechanical efficiency were studied in constant-speed treadmill running of 5 min at seven different exercises around aerobic (AerT) and anaerobic (AnT) thresholds. The true efficiency of concentric (positive) mechanical work and gross efficiency of the whole body in seven male subjects were calculated. The total mechanical work was calculated from film through the translational, potential and rotational energy states as the sum of the changes of all the mechanical energy states in all body segments allowing energy transfer between segments and from energy state to state. The total energy consumption was measured by combining aerobic a…
Spectroscopic Detection and Structure of Hydroxidooxidosulfur (HOSO) Radical, An Important Intermediate in the Chemistry of Sulfur-Bearing Compounds
2013
The rotational spectrum of hydroxidooxidosulfur, HOSO, an intermediate of particular interest in the combustion of sulfur-rich fuels, has been determined to high accuracy from gas-phase measurements. Detection of specific isotopic species using isotopically enriched gases suggests that HOSO is formed in our discharge nozzle via the reaction H + SO2 (+M) → HOSO (+M). A precise experimental r0 geometry has also been derived from the isotopic analysis; HOSO has a cis configuration, but the subtle structural question of its planarity remains unresolved. From the derived spectroscopic constants, in situ and remote sensing for this fundamental radical can now be undertaken in a variety of environ…
Relativistic simulations of rotational core collapse : I. Methods, initial models, and code tests
2002
We describe an axisymmetric general relativistic code for rotational core collapse. The code evolves the coupled system of metric and fluid equations using the ADM 3+1 formalism and a conformally flat metric approximation of the Einstein equations. The relativistic hydrodynamics equations are formulated as a first-order flux-conservative hyperbolic system and are integrated using high-resolution shock-capturing schemes based on Riemann solvers. We assess the quality of the conformally flat metric approximation for relativistic core collapse and present a comprehensive set of tests which the code successfully passed. The tests include relativistic shock tubes, the preservation of the rotatio…
Gauge-origin independent calculation of magnetizabilities and rotational g tensors at the coupled-cluster level.
2007
An implementation of the gauge-origin independent calculation of magnetizabilities and rotational g tensors at the coupled-cluster (CC) level is presented. The properties of interest are obtained as second derivatives of the energy with respect to the external magnetic field (in the case of the magnetizability) or with respect to magnetic field and rotational angular momentum (in the case of the rotational g tensor), while gauge-origin independence and fast basis-set convergence are ensured by using gauge-including atomic orbitals (London atomic orbitals) as well as their extension to treat rotational perturbations (rotational London atomic orbitals). The implementation within our existing …
No-core configuration-interaction model for the isospin- and angular-momentum-projected states
2016
[Background] Single-reference density functional theory is very successful in reproducing bulk nuclear properties like binding energies, radii, or quadrupole moments throughout the entire periodic table. Its extension to the multi-reference level allows for restoring symmetries and, in turn, for calculating transition rates. [Purpose] We propose a new no-core-configuration-interaction (NCCI) model treating properly isospin and rotational symmetries. The model is applicable to any nucleus irrespective of its mass and neutron- and proton-number parity. It properly includes polarization effects caused by an interplay between the long- and short-range forces acting in the atomic nucleus. [Metho…