Time-dependent R -matrix theory for ultrafast atomic processes

We describe an ab initio nonperturbative time-dependent R-matrix theory for ultrafast atomic processes. This theory enables investigations of the interaction of few-femtosecond and -attosecond pulse lasers with complex multielectron atoms and atomic ions. A derivation and analysis of the basic equations are given, which propagate the atomic wave function in the presence of the laser field forward in time in the internal and external R-matrix regions. To verify the accuracy of the approach, we investigate two-photon ionization of Ne irradiated by an intense laser pulse and compare current results with those obtained using the R-matrix Floquet method and an alternative time-dependent method. We also verify the capability of the current approach by applying it to the study of two-dimensional momentum distributions of electrons ejected from Ne due to irradiation by a sequence of 2 as light pulses in the presence of a 780 nm laser field.

Newtonian origin of the spin motive force in ferromagnetic atomic wires

We demonstrate numerically the existence of a spin-motive force acting on spin carriers when moving in a time and space dependent internal ?eld. This is the case for electrons in a one-dimensional wire with a precessing domain wall. The effect can be explained solely by adiabatic dynamics and is shown to exist for both classical and quantum systems.

Diagnostic based modeling for determining absolute atomic oxygen densities in atmospheric pressure helium-oxygen plasmas

Absolute atomic oxygen ground state densities in a radio-frequency driven atmospheric pressure plasma jet, operated in a helium-oxygen mixture, are determined using diagnostic based modeling. One-dimensional numerical simulations of the electron dynamics are combined with time integrated optical emission spectroscopy. The population dynamics of the upper O 3p 3P (l=844 nm) atomic oxygen state is governed by direct electron impact excitation, dissociative excitation, radiation losses, and collisional induced quenching. Absolute values for atomic oxygen densities are obtained through comparison with the upper Ar 2p1 (l=750.4 nm) state. Results for spatial profiles and power variations are presented and show excellent quantitative agreement with independent two-photon laser-induced fluorescence measurements.

Atomic oxygen formation in a radio-frequency driven micro-atmospheric pressure plasma jet

Atomic oxygen formation in a radio-frequency driven micro-atmospheric pressure plasma jet is investigated using both advanced optical diagnostics and numerical simulations of the dynamic plasma chemistry. Laser spectroscopic measurements of absolute densities of ground state atomic oxygen reveal steep gradients at the interface between the plasma core and the effluent region. Spatial profiles resolving the interelectrode gap within the core plasma indicate that volume processes dominate over surface reactions. Details of the production and destruction processes are investigated in numerical simulations benchmarked by phase-resolved optical emission spectroscopy. The main production mechanisms are electron induced and hence most efficient in the vicinity of the plasma boundary sheath, where electrons are energized. The destruction is driven through chemical heavy particle reactions. The resulting spatial profile of atomic oxygen is relatively flat. The power dependence of the atomic oxygen density obtained by the numerical simulation is in very good agreement with the laser spectroscopic measurements.

Spitzer measurements of atomic and molecular abundances in the Type IIPSN 2005af

We present results based on mid-infrared (3.6-30 mm) observations with the Spitzer Space Telescope of the nearby Type IIP supernova 2005af. We report the first ever detection of the SiO molecule in a Type IIP supernova. Together with the detection of the CO fundamental, this is an exciting finding as it may signal the onset of dust condensation in the ejecta. From a wealth of fine-structure lines we provide abundance estimates for stable Ni, Ar, and Ne that, via spectral synthesis, may be used to constrain nucleosynthesis models.

Atomic ordering in nano-layered FePt: Multiscale Monte Carlo simulation

Nano- and meso-scale simulation of chemical ordering kinetics in nano-layered L1(0)-AB binary intermetallics was performed. In the nano- (atomistic) scale Monte Carlo (MC) technique with vacancy mechanism of atomic migration implemented with diverse models for the system energetics was used. The meso-scale microstructure evolution was, in turn, simulated by means of a MC procedure applied to a system built of meso-scale voxels ordered in particular L1(0) variants. The voxels were free to change the L1(0) variant and interacted with antiphase-boundary energies evaluated within the nano-scale simulations. The study addressed FePt thin layers considered as a material for ultra-high-density magnetic storage media and revealed metastability of the L1(0) c-variant superstructure with monoatomic planes parallel to the (001)-oriented layer surface and off-plane easy magnetization. The layers, originally perfectly ordered in the c-variant, showed discontinuous precipitation of a- and b-L1(0)-variant domains running in parallel with homogeneous disordering (i.e. generation of antisite defects). The domains nucleated heterogeneously on the free monoatomic Fe surface of the layer, grew inwards its volume and relaxed towards an equilibrium microstructure of the system. Two