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Results for “ROTATIONAL STATES”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Probing the Single-Particle Character of Rotational States in F 19 Using a Short-Lived Isomeric Beam

A beam containing a substantial component of both the J π = 5 + , T 1 / 2 = 162 ns isomeric state of F 18 and its 1 + , 109.77-min ground state is utilized to study members of the ground-state rotational band in F 19 through the neutron transfer reaction ( d , p ) in inverse kinematics. The resulting spectroscopic strengths confirm the single-particle nature of the 13 / 2 + band-terminating state. The agreement between shell-model calculations using an interaction constructed within the s d shell, and our experimental results reinforces the idea of a single-particle–collective duality in the descriptions of the structure of atomic nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Production of cold beams of ND{sub 3} with variable rotational state distributions by electrostatic extraction of He and Ne buffer-gas-cooled beams

The measurement of the rotational state distribution of a velocity-selected, buffer-gas-cooled beam of ND{sub 3} is described. In an apparatus recently constructed to study cold ion-molecule collisions, the ND{sub 3} beam is extracted from a cryogenically cooled buffer-gas cell using a 2.15 m long electrostatic quadrupole guide with three 90° bends. (2+1) resonance enhanced multiphoton ionization spectra of molecules exiting the guide show that beams of ND{sub 3} can be produced with rotational state populations corresponding to approximately T{sub rot} = 9–18 K, achieved through manipulation of the temperature of the buffer-gas cell (operated at 6 K or 17 K), the identity of the buffer gas (He or Ne), or the relative densities of the buffer gas and ND{sub 3}. The translational temperature of the guided ND{sub 3} is found to be similar in a 6 K helium and 17 K neon buffer-gas cell (peak kinetic energies of 6.92(0.13) K and 5.90(0.01) K, respectively). The characterization of this cold-molecule source provides an opportunity for the first experimental investigations into the rotational dependence of reaction cross sections in low temperature collisions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Enhancing reactivity of SiO + ions by controlled excitation to extreme rotational states

Optical pumping of molecules provides unique opportunities for control of chemical reactions at a wide range of rotational energies. This work reports a chemical reaction with extreme rotational excitation of a reactant and its kinetic characterization. We investigate the chemical reactivity for the hydrogen abstraction reaction SiO + + H 2 → SiOH + + H in an ion trap. The SiO + cations are prepared in a narrow rotational state distribution, including super-rotor states with rotational quantum number ( j ) as high as 170, using a broad-band optical pumping method. We show that the super-rotor states of SiO + substantially enhance the reaction rate, a trend reproduced by complementary theoretical studies. We reveal the mechanism for the rotational enhancement of the reactivity to be a strong coupling of the SiO + rotational mode with the reaction coordinate at the transition state on the dominant dynamical pathway.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Reducing collective quantum state rotation errors with reversible dephasing

We demonstrate that reversible dephasing via inhomogeneous broadening can greatly reduce collective quantum state rotation errors, and observe the suppression of rotation errors by more than 21 dB in the context of collective population measurements of the spin states of an ensemble of 2.1×10{sup 5} laser cooled and trapped {sup 87}Rb atoms. The large reduction in rotation noise enables direct resolution of spin state populations 13(1) dB below the fundamental quantum projection noise limit. Further, the spin state measurement projects the system into an entangled state with 9.5(5) dB of directly observed spectroscopic enhancement (squeezing) relative to the standard quantum limit, whereas no enhancement would have been obtained without the suppression of rotation errors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Fully quantal calculation of H{sub 2} translation-rotation states in the (p-H{sub 2}){sub 2}@5{sup 12}6{sup 4} clathrate hydrate inclusion compound

The quantal translation-rotation (TR) states of the (p-H{sub 2}){sub 2}@5{sup 12}6{sup 4} clathrate hydrate inclusion compound have been computed. The ten-dimensional problem (in the rigid-cage and rigid-H{sub 2} approximation) is solved by first approximating the H{sub 2} moieties as spherically symmetric and solving for their 6D translational eigenstates. These are then combined with H{sub 2} free rotational states in a product basis that is used to diagonalize the full TR hamiltonian. The computed low-energy eigenstates have translational components that are essentially identical to the 6D translational eigenstates and rotational components that are 99.9% composed of rotationally unexcited H{sub 2} moieties. In other words, TR coupling is minimal for the low-energy states of the species. The low-energy level structure is found to be substantially more congested than that of the more tightly packed (p-H{sub 2}){sub 4}@5{sup 12}6{sup 4} clathrate species. The level structure is also shown to be understandable in terms of a model of (H{sub 2}){sub 2} as a semirigid diatomic species consisting of two spherically symmetric H{sub 2} pseudo-atoms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Effects of rotational states on the c / a ratio in solid hydrogens

We propose an approach to the problem of lattice distortions at low temperatures and ambient pressure in the solid hydrogens in their rotational ground states that explicitly accounts for the molecular nature of the constituent particles. The model is based on the idea that the second-order rotation-related correction to the ground-state energy depends on the lattice parameters. The calculated ground-state rotation-related contributions, δ gs = c/a–(8/3) 1/2 , are negative for all species, amounting to about –1.5×10 –5 for H 2 and D 2 , whereas for HD this contribution is about –0.6×10 –3 , which is roughly 50 times larger. This substantial difference stems from the fact that the rotational dynamics in the homonuclear solids and in HD differ appreciably. Furthermore, the approach can be generalized to high pressures.

36 MATERIALS SCIENCE↗
DOE OSTI2013

THE NUCLEUS OF COMET 10P/TEMPEL 2 IN 2013 AND CONSEQUENCES REGARDING ITS ROTATIONAL STATE: EARLY SCIENCE FROM THE DISCOVERY CHANNEL TELESCOPE

We present new lightcurve measurements of Comet 10P/Tempel 2 carried out with Lowell Observatory's Discovery Channel Telescope in early 2013 when the comet was at aphelion. These data represent some of the first science obtained with this new 4.3 m facility. With Tempel 2 having been observed to exhibit a small but ongoing spin-down in its rotation period for over two decades, our primary goals at this time were two-fold. First, to determine its current rotation period and compare it to that measured shortly after its most recent perihelion passage in 2010, and second, to disentangle the spin-down from synodic effects due to the solar day and Earth's orbital motion and to determine the sense of rotation, i.e., prograde or retrograde. At our midpoint of 2013 February 24, the observed synodic period is 8.948 ± 0.001 hr, exactly matching the predicted prograde rotation solution based on 2010 results, and yields a sidereal period of the identical value due to the solar and Earth synodic components just canceling out during the interval of the 2013 observations. The retrograde solution is ruled out because the associated sidereal periods in 2010 and 2013 are quite different even though we know that extremely little outgassing, needed to produce torques, occurred in this interval. With a definitive sense of rotation, the specific amounts of spin-down to the sidereal period could be assessed. The nominal values imply that the rate of spin-down has decreased over time, consistent with the secular drop in water production since 1988. Our data also exhibited an unexpectedly small lightcurve amplitude which appears to be associated with viewing from a large, negative sub-Earth latitude, and a lightcurve shape deviating from a simple sinusoid implying a highly irregularly shaped nucleus.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Ground state rotational and kinetic temperatures of C 2 molecules in a laser-produced plasma

This study presents an experimental comparison between rotational and kinetic temperatures of molecular species in a laser-produced plasma, utilizing tunable laser absorption spectroscopy. We analyzed high-resolution and time-resolved absorption spectra of 31 rotational transitions within the Phillips A 1 II u –X 1 Σ g 3-0 band of the C 2 molecule, measured from a laser-produced graphite plasma in ~2 Torr argon, within the 771–781 nm spectral range. Spectral fitting provided quantitative state column densities of C 2 rotational energy levels in the ground electronic and vibrational states. Boltzmann analysis revealed thermalized rotational distributions showing rotational temperatures decreasing from 3000 to 600 K within 5–500 μs following the onset of the laser plasma. The measured kinetic and rotational temperatures of C 2 molecules are comparable, suggesting that collisional processes in the laser-produced plasma are sufficient to maintain thermal equilibrium between the C 2 molecules and the Ar background gas.

Absorption spectroscopy↗
DOE OSTI2018

Sub-Doppler slit jet infrared spectroscopy of astrochemically relevant cations: The NH stretching mode in ND 3 H +

High-resolution rotationally resolved spectra of the N–H stretch vibrational mode (ν1) of jet-cooled ND 3 H + ions are collected and analyzed in a sub-Doppler slit-jet infrared spectrometer. The isotopomeric ammonium ions are generated by proton transfer from H 3 + to ND 3 in a discharge of an ND 3 /H 2 gas mixture, whereby the slit jet expansion cools the nascent ND 3 H + ions into lower rotational states. Rotational assignments are confirmed by four-line combination differences that agree to within the spectrometer precision (9 MHz). Based on precision two-line ground-state combination differences and a symmetric top Hamiltonian, the B, D J , and D JK rotational constants for the ground vibrational state of ND 3 H + are determined with high precision for the first time. Approximate rotational constants for the ν 1 excited state are also determined, with a band origin at 3316.8425(19) cm -1 and in remarkable (~0.1 cm -1 ) agreement with high level anharmonic theoretical predictions by Guo and co-workers [J. Phys. Chem. A, 120, 2185 (2016)]. Our results allow us to predict several low-J pure rotational transitions of ND 3 H + , which we hope will support future studies of this important ion in laboratory and astronomical rotational spectroscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Rate coefficients for rotational state-to-state transitions in H 2 O + H 2 O collisions for cometary and planetary applications, as predicted by mixed quantum-classical theory

We present new calculations of collision cross sections for state-to-state transitions between the rotational states in an H 2 O + H 2 O system, which are used to generate a new database of collisional rate coefficients for cometary and planetary applications. Calculations were carried out using a mixed quantum-classical theory approach that is implemented in the code MQCT. The large basis set of rotational states used in these calculations permits us to predict thermally averaged cross sections for 441 transitions in para- and ortho-H 2 O in a broad range of temperatures. It is found that all state-to-state transitions in the H 2 O + H 2 O system split into two well-defined groups, one with higher cross-section values and lower energy transfer, which corresponds to the dipole-dipole driven processes. The other group has smaller cross sections and higher energy transfer, driven by higher-order interaction terms. We present a detailed analysis of the theoretical error bars, and we symmetrized the state-to-state transition matrixes to ensure that excitation and quenching processes for each transition satisfy the principle of microscopic reversibility. We also compare our results with other data available from the literature for H 2 O + H 2 O collisions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Theoretical study of the HCS + –H 2 van der Waals complex: potential energy surface, rovibrational bound states, and rotationally inelastic collisional cross sections

An accurate ground-state intermolecular potential energy surface (PES) was calculated for the HCS + –H 2 complex. The surface was constructed from 3023 ab initio energies, computed with explicitly correlated coupled-cluster theory, CCSD(T)-F12b, with extrapolation to the complete basis set limit (VTZ-F12/VQZ-F12). The new 4D PES was used to compute rovibrational energies, rota- tional constants, and close-coupling quantum scattering calculations at low collision energies. A symmetry-adapted Lanczos algorithm was used to variationally compute the low-lying rovibrational bound states. Rotational constants for states of two isomers were determined from the energy levels and reported in hopes of motivating experiments. The rotationally inelastic state-to-state cross sections of HCS + by collision with para- and ortho-H 2 were computed and compared, and trends and propensities are discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Rotational state-to-state transition rate coefficients for H 2 O + H 2 O collisions at nonequilibrium conditions

Aims.The goal is to develop a database of rate coefficients for rotational state-to-state transitions in H 2 O + H 2 O collisions that is suitable for the modeling of energy transfer in nonequilibrium conditions, in which the distribution of rotational states of H 2 O deviates from local thermodynamic equilibrium. Methods.A two-temperature model was employed that assumed that although there is no equilibrium between all possible degrees of freedom in the system, the translational and rotational degrees of freedom can be expected to achieve their own equilibria independently, and that they can be approximately characterized by Boltzmann distributions at two different temperatures,T kin andT rot . Results.Upon introducing our new parameterization of the collisional rates, taking into account their dependence on bothT kin andT rot , we find a change of up to 20% in the H 2 O rotational level populations for both ortho and para-H 2 O for the part of the cometary coma where the nonequilibrium regime occurs.

Astronomy & Astrophysics↗
DOE OSTI2015

Doppler-resolved kinetics of saturation recovery

Frequency modulated laser transient absorption has been used to monitor the ground state rotational energy transfer rates of CN radicals in a double-resonance, depletion recovery experiment. When a pulsed laser is used to burn a hole in the equilibrium ground state population of one rotational state without velocity selection, the population recovery rate is found to depend strongly on the Doppler detuning of a narrow-band probe laser. Similar effects should be apparent for any relaxation rate process that competes effectively with velocity randomization. Alternative methods of extracting thermal rate constants in the presence of these non-thermal conditions are evaluated. Total recovery rate constants, analogous to total removal rate constants in an experiment preparing a single initial rotational level, are in good agreement with quantum scattering calculations, but are slower than previously reported experiments and show qualitatively different rotational state dependence between Ar and He collision partners. As a result, quasi-classical trajectory studies confirm that the differing rotational state dependence is primarily a kinematic effect.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Finite-Temperature Quantum Matter with Rydberg or Molecule Synthetic Dimensions

Synthetic-dimension platforms offer unique pathways for engineering quantum matter. We compute the phase diagram of a many-body system of ultracold atoms (or polar molecules) with a set of Rydberg states (or rotational states) as a synthetic dimension, where the particles are arranged in real space in optical microtrap arrays and interact via dipole-dipole exchange interaction. Using mean-field theory, we find three ordered phases—two are localized in the synthetic dimension, predicted as zero-temperature ground states, and one is a delocalized phase. We characterize them by identifying the spontaneously broken discrete symmetries of the Hamiltonian. We also compute the phase diagram as a function of temperature and interaction strength for both signs of the interaction. For system sizes with more than six synthetic sites and attractive interactions, we find that the thermal phase transitions can be first or second order, which leads to a tricritical point on the phase boundary. Furthermore, by examining the dependence of the tricritical point and other special points of the phase boundary on the synthetic dimension size, we shed light on the physics for thermodynamically large synthetic dimension.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2017

On Differential Rotation and Overshooting in Solar-like Stars

We seek to characterize how the change of global rotation rate influences the overall dynamics and large-scale flows arising in the convective envelopes of stars covering stellar spectral types from early G to late K. We do so through numerical simulations with the ASH code, where we consider stellar convective envelopes coupled to a radiative interior with various global properties. As solar-like stars spin down over the course of their main sequence evolution, such a change must have a direct impact on their dynamics and rotation state. We indeed find that three main states of rotation may exist for a given star: anti-solar-like (fast poles, slow equator), solar-like (fast equator, slow poles), or a cylindrical rotation profile. Under increasingly strict rotational constraints, the last profile can further evolve into a Jupiter-like profile, with alternating prograde and retrograde zonal jets. We have further assessed how far the convection and meridional flows overshoot into the radiative zone and investigated the morphology of the established tachocline. Using simple mixing length arguments, we are able to construct a scaling of the fluid Rossby number R{sub of}= ω-tilde /2Ω{sub ∗}∼ v-tilde /2Ω{sub ∗}R{sub ∗}, which we calibrate based on our 3D ASH simulations. We can use this scaling to map the behavior of differential rotation versus the global parameters of stellar mass and rotation rate. Finally, we isolate a region on this map (R {sub of} ≳ 1.5–2) where we posit that stars with an anti-solar differential rotation may exist in order to encourage observers to hunt for such targets.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Nuclear Data Sheets for A = 235

Spectroscopic data and level schemes from radioactive decay and nuclear reaction studies are presented here for all nuclei with mass number A=235. The highlight of this evaluation consists of the precise and comprehensive Coulomb excitation study (2012Wa35) on {sup 235}U, which in addition to the 7/2[743] ground state rotational band, extended the 1/2[631], 5/2[622], 5/2[752], and 3/2[631] rotational bands up to Jπ=53/2+, 49/2+, 441/2−, and 43/2+, respectively. This evaluation presents a study (2010Hu02) of the {sup 237}Np({sup 116}Sn, {sup 118}Snγ) reaction where the ground state rotational band 5/2[642] was observed up to Jπ=(53/2+). It is worth for historical knowledge to mention the report on the “Discovery of isotopes of the transuranium elements with 93≤Z≤98” (2013Fr02), where the information for elements Np, Pu, and Am with mass number A=235 is given. {sup 235}Cf has not been observed. The alpha hindrance factors (HF) presented in this evaluation were calculated using values of the radius parameter (r{sub 0}) interpolated from those for even–even adjacent nuclei given by 1998Ak04.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗