1,460 research outputs found
Molecular collisions. 15 - Classical limit of the generalized phase shift treatment of rotational excitation - Atom-rigid rotor
Generalized phase shift approach to problem of rotationally inelastic molecular collision
Molecular collisions. 16: Comparison of GPS with classical trajectory calculations of rotational inelasticity for the Ar-N2 system
Comparison of generalized phase shift treatment with classical trajectory calculations of rotational inelasticity cross sections of Ar-N2 scatterin
Molecular collisions. 14 - First-order approximation of the generalized phase shift treatment of rotational excitation - Atom-rigid rotor
Applying generalized phase shift approach to rotational excitation problem to atom-rigid rotor case in first order approximatio
Eulerian simulation of the fluid dynamics of helicopter brownout
A computational model is presented that can be used to simulate the development of the dust cloud
that can be entrained into the air when a helicopter is operated close to the ground in desert or dusty
conditions. The physics of this problem, and the associated pathological condition known as ‘brownout’
where the pilot loses situational awareness as a result of his vision being occluded by dust suspended in the
flow around the helicopter, is acknowledged to be very complex. The approach advocated here involves
an approximation to the full dynamics of the coupled particulate-air system. Away from the ground, the
model assumes that the suspended particles remain in near equilibrium under the action of aerodynamic
forces. Close to the ground, this model is replaced by an algebraic sublayer model for the saltation and
entrainment process. The origin of the model in the statistical mechanics of a distribution of particles
governed by aerodynamic forces allows the validity of the method to be evaluated in context by comparing
the physical properties of the suspended particulates to the local properties of the flow field surrounding
the helicopter. The model applies in the Eulerian frame of reference of most conventional Computational
Fluid Dynamics codes and has been coupled with Brown’s Vorticity Transport Model. Verification of the
predictions of the coupled model against experimental data for particulate entrainment and transport in
the flow around a model rotor are encouraging. An application of the coupled model to analyzing the
differences in the geometry and extent of the dust clouds that are produced by single main rotor and
tandem-rotor configurations as they decelerate to land has shown that the location of the ground vortex
and the size of any regions of recirculatory flow, should they exist, play a primary role in governing the
extent of the dust cloud that is created by the helicopter
Independent Eigenstates of Angular Momentum in a Quantum N-body System
The global rotational degrees of freedom in the Schr\"{o}dinger equation for
an -body system are completely separated from the internal ones. After
removing the motion of center of mass, we find a complete set of
independent base functions with the angular momentum . These are
homogeneous polynomials in the components of the coordinate vectors and the
solutions of the Laplace equation, where the Euler angles do not appear
explicitly. Any function with given angular momentum and given parity in the
system can be expanded with respect to the base functions, where the
coefficients are the functions of the internal variables. With the right choice
of the base functions and the internal variables, we explicitly establish the
equations for those functions. Only (3N-6) internal variables are involved both
in the functions and in the equations. The permutation symmetry of the wave
functions for identical particles is discussed.Comment: 24 pages, no figure, one Table, RevTex, Will be published in Phys.
Rev. A 64, 0421xx (Oct. 2001
Thermochemistry of Alane Complexes for Hydrogen Storage: A Theoretical and Experimental Comparison
Knowledge of the relative stabilities of alane (AlH3) complexes with electron
donors is essential for identifying hydrogen storage materials for vehicular
applications that can be regenerated by off-board methods; however, almost no
thermodynamic data are available to make this assessment. To fill this gap, we
employed the G4(MP2) method to determine heats of formation, entropies, and
Gibbs free energies of formation for thirty-eight alane complexes with NH3-nRn
(R = Me, Et; n = 0-3), pyridine, pyrazine, triethylenediamine (TEDA),
quinuclidine, OH2-nRn (R = Me, Et; n = 0-2), dioxane, and tetrahydrofuran
(THF). Monomer, bis, and selected dimer complex geometries were considered.
Using these data, we computed the thermodynamics of the key formation and
dehydrogenation reactions that would occur during hydrogen delivery and alane
regeneration, from which trends in complex stability were identified. These
predictions were tested by synthesizing six amine-alane complexes involving
trimethylamine, triethylamine, dimethylethylamine, TEDA, quinuclidine, and
hexamine, and obtaining upper limits of delta G for their formation from
metallic aluminum. Combining these computational and experimental results, we
establish a criterion for complex stability relevant to hydrogen storage that
can be used to assess potential ligands prior to attempting synthesis of the
alane complex. Based on this, we conclude that only a subset of the tertiary
amine complexes considered and none of the ether complexes can be successfully
formed by direct reaction with aluminum and regenerated in an alane-based
hydrogen storage system.Comment: Accepted by the Journal of Physical Chemistry
Tomographic Separation of Composite Spectra. VIII. The Physical Properties of the Massive Compact Binary in the Triple Star System HD 36486 (delta Orionis A)
Double-lined spectroscopic orbital elements have recently been found for the
central binary in the massive triple, delta Orionis A based on radial
velocities from cross-correlation techniques applied to IUE high dispersion
spectra and He I 6678 spectra obtained at Kitt Peak. The primary and secondary
velocity amplitudes were found to be 94.9 +/- 0.6 km/s and 186 +/- 9 km/s
respectively. Tomographic reconstructions of the primary and secondary stars'
spectra confirm the O9.5 II classification of the primary and indicate a B0.5
III type for the secondary. The widths of the UV cross-correlation functions
are used to estimate the projected rotational velocities, Vsin i = 157 +/- 6
km/s and 138 +/- 16 km/s for the primary and secondary, respectively implying
that both stars rotate faster than their orbital motion. We used the
spectroscopic results to make a constrained fit of the Hipparcos light curve of
this eclipsing binary, and the model fits limit the inclination to the range
between 67 and 77 degrees. The i = 67 degrees solution, which corresponds to a
near Roche-filling configuration, results in a primary mass of 11.2 solar
masses and a secondary mass of 5.6 solar masses, both of which are
substantially below the expected masses for stars of their luminosity. This
binary may have experienced a mass ratio reversal caused by Case A Roche lobe
overflow, or the system may have suffered extensive mass loss through a binary
interaction, perhaps during a common envelope phase, in which most of the
primary's mass was lost from the system rather than transferred to the
secondary.Comment: 27 pages, 15 figures in press, the Astrophysical Journal, February 1,
200
Theoretical study of O adlayers on Ru(0001)
Recent experiments performed at high pressures indicate that ruthenium can
support unusually high concentrations of oxygen at the surface. To investigate
the structure and stability of high coverage oxygen structures, we performed
density functional theory calculations, within the generalized gradient
approximation, for O adlayers on Ru(0001) from low coverage up to a full
monolayer. We achieve quantitative agreement with previous low energy electron
diffraction intensity analyses for the (2x2) and (2x1) phases and predict that
an O adlayer with a (1x1) periodicity and coverage of 1 monolayer can form on
Ru(0001), where the O adatoms occupy hcp-hollow sites.Comment: RevTeX, 6 pages, 4 figure
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