Mechanisms of Auger-induced chemistry derived from wave packet dynamics

To understand how core ionization and subsequent Auger decay lead to bond breaking in large systems, we simulate the wave packet dynamics of electrons in the hydrogenated diamond nanoparticle C_(197)H_(112). We find that surface core ionizations cause emission of carbon fragments and protons through a direct Auger mechanism, whereas deeper core ionizations cause hydrides to be emitted from the surface via remote heating, consistent with results from photon-stimulated desorption experiments [Hoffman A, Laikhtman A, (2006) J Phys Condens Mater 18:S1517–S1546]. This demonstrates that it is feasible to study the chemistry of highly excited large-scale systems using simulation and analysis tools comparable in simplicity to those used for classical molecular dynamics

Statistical study of free magnetic energy and flare productivity of solar active regions

Photospheric vector magnetograms from Helioseismic and Magnetic Imager on board the Solar Dynamic Observatory are utilized as the boundary conditions to extrapolate both non-linear force-free and potential magnetic fields in solar corona. Based on the extrapolations, we are able to determine the free magnetic energy (FME) stored in active regions (ARs). Over 3000 vector magnetograms in 61 ARs were analyzed. We compare FME with ARs' flare index (FI) and find that there is a weak correlation ($<60\%$) between FME and FI. FME shows slightly improved flare predictability relative to total unsigned magnetic flux of ARs in the following two aspects: (1) the flare productivity predicted by FME is higher than that predicted by magnetic flux and (2) the correlation between FI and FME is higher than that between FI and magnetic flux. However, this improvement is not significant enough to make a substantial difference in time-accumulated FI, rather than individual flare, predictions.Comment: The paper was submitted to ApJ and it is accepted no

An interactive multi-block grid generation system

A grid generation procedure combining interactive and batch grid generation programs was put together to generate multi-block grids for complex aircraft configurations. The interactive section provides the tools for 3D geometry manipulation, surface grid extraction, boundary domain construction for 3D volume grid generation, and block-block relationships and boundary conditions for flow solvers. The procedure improves the flexibility and quality of grid generation to meet the design/analysis requirements

A general multiblock Euler code for propulsion integration. Volume 1: Theory document

A general multiblock Euler solver was developed for the analysis of flow fields over geometrically complex configurations either in free air or in a wind tunnel. In this approach, the external space around a complex configuration was divided into a number of topologically simple blocks, so that surface-fitted grids and an efficient flow solution algorithm could be easily applied in each block. The computational grid in each block is generated using a combination of algebraic and elliptic methods. A grid generation/flow solver interface program was developed to facilitate the establishment of block-to-block relations and the boundary conditions for each block. The flow solver utilizes a finite volume formulation and an explicit time stepping scheme to solve the Euler equations. A multiblock version of the multigrid method was developed to accelerate the convergence of the calculations. The generality of the method was demonstrated through the analysis of two complex configurations at various flow conditions. Results were compared to available test data. Two accompanying volumes, user manuals for the preparation of multi-block grids (vol. 2) and for the Euler flow solver (vol. 3), provide information on input data format and program execution

A general multiblock Euler code for propulsion integration. Volume 3: User guide for the Euler code

This manual explains the procedures for using the general multiblock Euler (GMBE) code developed under NASA contract NAS1-18703. The code was developed for the aerodynamic analysis of geometrically complex configurations in either free air or wind tunnel environments (vol. 1). The complete flow field is divided into a number of topologically simple blocks within each of which surface fitted grids and efficient flow solution algorithms can easily be constructed. The multiblock field grid is generated with the BCON procedure described in volume 2. The GMBE utilizes a finite volume formulation with an explicit time stepping scheme to solve the Euler equations. A multiblock version of the multigrid method was developed to accelerate the convergence of the calculations. This user guide provides information on the GMBE code, including input data preparations with sample input files and a sample Unix script for program execution in the UNICOS environment

Dirac-Schr\"odinger equation for quark-antiquark bound states and derivation of its interaction kerne

The four-dimensional Dirac-Schr\"odinger equation satisfied by quark-antiquark bound states is derived from Quantum Chromodynamics. Different from the Bethe-Salpeter equation, the equation derived is a kind of first-order differential equations of Schr\"odinger-type in the position space. Especially, the interaction kernel in the equation is given by two different closed expressions. One expression which contains only a few types of Green's functions is derived with the aid of the equations of motion satisfied by some kinds of Green's functions. Another expression which is represented in terms of the quark, antiquark and gluon propagators and some kinds of proper vertices is derived by means of the technique of irreducible decomposition of Green's functions. The kernel derived not only can easily be calculated by the perturbation method, but also provides a suitable basis for nonperturbative investigations. Furthermore, it is shown that the four-dimensinal Dirac-Schr\"odinger equation and its kernel can directly be reduced to rigorous three-dimensional forms in the equal-time Lorentz frame and the Dirac-Schr\"odinger equation can be reduced to an equivalent Pauli-Schr\"odinger equation which is represented in the Pauli spinor space. To show the applicability of the closed expressions derived and to demonstrate the equivalence between the two different expressions of the kernel, the t-channel and s-channel one gluon exchange kernels are chosen as an example to show how they are derived from the closed expressions. In addition, the connection of the Dirac-Schr\"odinger equation with the Bethe-Salpeter equation is discussed

Algorithm based comparison between the integral method and harmonic analysis of the timing jitter of diode-based and solid-state pulsed laser sources

AbstractA comparison between two methods of timing jitter calculation is presented. The integral method utilizes spectral area of the single side-band (SSB) phase noise spectrum to calculate root mean square (rms) timing jitter. In contrast the harmonic analysis exploits the uppermost noise power in high harmonics to retrieve timing fluctuation. The results obtained show that a consistent timing jitter of 1.2ps is found by the integral method and harmonic analysis in gain-switched laser diodes with an external cavity scheme. A comparison of the two approaches in noise measurement of a diode-pumped Yb:KY(WO4)2 passively mode-locked laser is also shown in which both techniques give 2ps rms timing jitter