One-dimensional fluid and circuit simulation of an AC plasmadisplay cell

A one-dimensional multispecies model of a helium filled AC plasma display cell is described. The model includes a continuity equation for each species. Poisson's equation and a circuit equation. The fill gas is helium for which the cross sections for ionization and excitation for the various atomic states are well known. The reaction rates for the different species were parametrized as functions of E/N using a zero-dimensional spatial and two velocity multispecies Boltzmann kinetic code. Calculations are performed using address and sustain voltages operating at a frequency of 50 kHz to model the pulse behavior of a dielectric barrier discharge which occurs over a time scale on the order of 200 ns or less. The code simulates multipulse behavior and shows reasonably good agreement with experimental data. The simulations show that the circuit filters out the discharge dynamics and that the pulse width of the discharge current depends on the circuit RC time constant. Using a 123 V sustain voltage, the calculated discharge current is 0.4 A with a full width at half maximum (FWHM) of 28 ns. Experimental values using a 120 V sustain voltage are 0.32 A discharge current and 42 ns FWHM     

Nonlinear and chaotic oscillations of a constrained cantilevered pipe conveying fluid: A full nonlinear analysis

In this paper, the planar dynamics of a nonlinearly constrained pipe conveying fluid is examined numerically, by considering the full nonlinear equation of motions and a refined trilinear-spring model for the impact constraints—completing the circle of several studies on the subject. The effect of varying system parameters is investigated for the two-degree-of-freedom (N=2) model of the system, followed by less extensive similar investigations forN=3 and 4. Phase portraits, bifurcation diagrams, power spectra and Lyapunov exponents are presented for a selected set of system parameters, showing some rather interesting, and sometimes unexpected, results. The numerical results are compared with experimental ones obtained previously. It is found that in the parameter space that includesN, there exists a subspace wherein excellent qualitative, and reasonably good (N=2) to excellent (N=4) quantitative agreement with experiment. In the latter case, excellent agreement is not only obtained in the threshold flow velocities (u) for the key bifurcations, but the inclusion of the nonlinear terms improves agreement with experiment in terms of amplitudes of motion and by capturing features of behaviour not hitherto predicted by theory.     

Rotational temperature and density measurements in a hypersonic flow by dual-line CARS

Rotational temperature and nitrogen number density are measured in the shock wave/boundary layer interaction region in the vicinity of a two-dimensional compression corner disposed in a low pressure, 55 K, Mach 10 hypersonic air flow. Spatially-resolved data are recorded using a nonlinear optical technique named dual-line coherent anti-Stokes Raman scattering (DLCARS). Averaged temperature and density profiles are compared with those predicted by a Navier-Stokes solver. Good agreement is found.     

Molecular electric field mapping of some anions and cations of 2- aminopurine and 6- thioguanine

Electric fields of the anions, cations and neutral forms of 2-aminopurine and 6-thioguanine have been mapped. Certain important features of the maps are similar to those found earlier in the neutral and ionic forms of adenine and guanine. The computed electric field patterns satisfactorily explain reactive sites and biological activity of the molecules.     

Deposition-evaporation stochastic systems in two and higher dimensions

We study the stochastic dynamics of deposition-evaporation cooperative processes of dimers, trimers, etc., in two- and higher-dimensional lattices. The dimer system in bipartite lattices allows for an exact solution of dynamic correlations and scaling functions by means of a quantum spin equivalence. Autocorrelations exhibit a diffusive asymptotic kinetics and crossovers of different dynamic regimes in highly anisotropic lattices. Monte Carlo simulations combined with finite-size scaling arguments support the validity of the diffusive picture in more general situations. Steady-state coverages and diffusion constants are obtained using mean-field approaches, spin wave calculations, and random walk analyses in nearly jammed configurations.     

Molecular Orbital Calculations on 2, 4, 6-Trinitrotoluene

Three ab initio calculations (HF/6-3IG, HF/6-3IG*, and HF/6-3IG**) on 2,4,6-trinitrotoluene were made, The results compare well with xray data, except dihedral angles of NO₂ relative to the plane of the benzene ring. The deviations are attributed to packing forces and steric effects in the crystal. The most stable structure was a torsional angle 10° of the methyl top with the benzene ring, unlike toluene. The rotational barriers of the methyl top and the 4-nitro group are small. Hydrogen bonding, dipole moments and total atomic charges arc calculated.     

Liquid crystal properties of some substituted pyrazines

A number of biphenyl, terphenyl analogues and ethynes which contain a pyrazine ring have been made and their liquid crystal transition temperatures, together with examples of birefringence measurements, are reported. All the 2,5-disubstituted pyrazine systems are liquid crystalline showing high birefringence values for the biphenyl and terphenyl analogues, whereas the 1,5-disubstituted systems are not liquid crystalline. The pyrazine ethyne systems exhibit very high birefringence values. X-ray diffraction has been used to identify the liquid crystal phases of 2-n-nonyloxy-5-(4'-propylbiphenyl-4-yl)pyrazine.     

Hydrodynamical limit for a Hamiltonian system with weak noise

Starting from a general hamiltonian system with superstable pairwise potential, we construct a stochastic dynamics by adding a noise term which exchanges the momenta of nearby particles. We prolve that, in the scaling limit, the time conserved quantities, energy, momenta and density, satisfy the Euler equation of conservation laws up to a fixed timet provided that the Euler equation has a smooth solution with a given initial data up to timet. The strength of the noise term is chosen to be very small (but nonvanishing) so that it disappears in the scaling limit.Research partially supported by U.S. National Science Foundation grants DMS 89001682, DMS 920-1222 and a grant from ARO, DAAL03-92-G-0317Research partially supported by U.S. National Science Foundation grants DMS-9101196, DMS-9100383, and PHY-9019433-A01, Sloan Foundation Fellowship and David and Lucile Packard Foundation Fellowship