Effects of the transition dipole moment function on the dynamics of ozone photodissociation: an exact 3D quantum mechanical study

The effects of the transition dipole moment function (TDMF) on the dynamics Of O-3 photodissociation in the Hartley band have been exploited by means of exact 3D time-dependent wavepacket method using the SW potential energy surface [J. Chem. Phys. 78 (1983) 7191]. The calculations show that the explicit inclusion of the TDMF results in slight uniform reductions for the intensities of recurrence peaks of the autocorrelation function and a slight broadening of the absorption spectrum, in comparison with the result where the TDMF is assumed to be constant. The pattern of recurrence structures of the autocorrelation function is essentially unaffected. (C) 2001 Elsevier Science B.V. All rights reserved.

Mercaptoethane sulfonate protected, water-soluble gold and silver nanoparticles: Syntheses, characterization and their building, multilayer films with polyaniline via ion-dipole interactions

Mercaptoethane sulfonate protected, water-soluble gold and silver nanoparticles (Au-MES and Ag-MES) are synthesized by one-phase method and characterized by TEM, TGA and XPS techniques, UV-vis and FTIR spectra. Both Au-MES and Ag-MES nanoparticles are soluble in the water up to 2.0 mg/ml and the stability of AU-MES is much better than that of Ag-MES. When dissolved in the water. they behave like a polyanion and can be used to build multilayer films with polyaniline (PANI) by way of layer-by-layer. A new approach is presented to fabricate the Multilayer films of Au-MES/PANI and Ag-MES/PAN]. The assembly mechanism of these multilayer films is also discussed. We anticipate highly conducting PANI films can be obtained by doping with these nanoparticles.

Two modes of dipole events in tropical Indian Ocean

By analyzing the distributions of subsurface temperature and the surface wind stress anomalies in the tropical Pacific and Indian Oceans during the Indian Ocean Dipole (IOD) events, two major modes of the IOD and their formation mechanisms are revealed. (1) The subsurface temperature anomaly (STA) in the tropical Indian Ocean during the IOD events can be described as a "<" -shaped and west-east-oriented dipole pattern; in the east side of the "<" pattern, a notable tongue-like STA extends westward along the equator in the tropical eastern Indian Ocean; while in the west side of the "<" pattern, the STA has opposite sign with two centers (the southern one is stronger than the northern one in intensity) being of rough symmetry about the equator in the tropical mid-western Indian Ocean. (2) The IOD events are composed of two modes, which have similar spatial pattern but different temporal variabilities due to the large scale air-sea interactions within two independent systems. The first mode of the IOD event originates from the air-sea interaction on a scale of the tropical Pacific-Indian Ocean and coexists with ENSO. The second mode originates from the air-sea interaction on a scale of the tropical Indian Ocean and is closely associated with changes in the position and intensity of the Mascarene high pressure. The strong IOD event occurs when the two modes are in phase, and the IOD event weakens or disappears when the two modes are out of phase. Besides, the IOD events are normally strong when either of the two modes is strong. (3) The IOD event is caused by the abnormal wind stress forcing over the tropical Indian Ocean, which results in vertical transports, leading to the upwelling and pileup of seawater. This is the main dynamic processes resulting in the STA. When the anomalous easterly exists over the equatorial Indian Ocean, the cold waters upwell in the tropical eastern Indian Ocean while the warm waters pileup in the tropical western Indian Ocean, hence the thermocline in the tropical Indian Ocean is shallowed in the east and deepened in the west. The off-equator component due to the Coriolis force in the equatorial area causes the upwelling of cold waters and the shallowing of the equatorial India Ocean thermocline. On the other hand, the anomalous anticyclonic circulations and their curl fields located on both sides of the equator, cause the pileup of warm waters in the central area of their curl fields and the deepening of the equatorial Indian Ocean thermocline off the equator. The above three factors lead to the occurrence of positive phase IOD events. When anomalous westerly dominates over the tropical Indian Ocean, the dynamic processes are reversed, and the negative-phase IOD event occurs.

Subtropical dipole mode in the Southern Hemisphere: A global view

A global wavenumber-3 dipole SST mode is showed to exist in the Southern Hemisphere subtropical climate variability in austral summer. A positive (negative) phase of the mode is characterized by cool (warm) SST anomalies in the east and warm (cool) SST anomalies in the southwest of the south Indian, Pacific, and Atlantic Oceans, respectively. This coherent dipole structure is largely a response of ocean mixed layer to the atmospheric forcing characterized by migration and modulation of the subtropical high-pressures, in which the latent heat flux play a leading role through wind-induced evaporation, although ocean dynamics may also be crucial in forming SST anomalies attached to the continents. Exploratory analyses suggest that this mode is strongly damped by the negative heat flux feedback, with a persistence time about three months and no spectral peak at interannual to decadal time scales. As the subtropical dipole mode is linearly independent of ENSO and SAM, whether it represents an additional source of climate predictability should be further studied. Citation: Wang, F. (2010), Subtropical dipole mode in the Southern Hemisphere: A global view, Geophys. Res. Lett., 37, L10702, doi: 10.1029/2010GL042750.

Long-Wave Dynamics of Sea Level Variations during Indian Ocean Dipole Events

Long-wave dynamics of the interannual variations of the equatorial Indian Ocean circulation are studied using an ocean general circulation model forced by the assimilated surface winds and heat flux of the European Centre for Medium-Range Weather Forecasts. The simulation has reproduced the sea level anomalies of the Ocean Topography Experiment (TOPEX)/Poseidon altimeter observations well. The equatorial Kelvin and Rossby waves decomposed from the model simulation show that western boundary reflections provide important negative feedbacks to the evolution of the upwelling currents off the Java coast during Indian Ocean dipole (IOD) events. Two downwelling Kelvin wave pulses are generated at the western boundary during IOD events: the first is reflected from the equatorial Rossby waves and the second from the off-equatorial Rossby waves in the southern Indian Ocean. The upwelling in the eastern basin during the 1997-98 IOD event is weakened by the first Kelvin wave pulse and terminated by the second. In comparison, the upwelling during the 1994 IOD event is terminated by the first Kelvin wave pulse because the southeasterly winds off the Java coast are weak at the end of 1994. The atmospheric intraseasonal forcing, which plays an important role in inducing Java upwelling during the early stage of an IOD event, is found to play a minor role in terminating the upwelling off the Java coast because the intraseasonal winds are either weak or absent during the IOD mature phase. The equatorial wave analyses suggest that the upwelling off the Java coast during IOD events is terminated primarily by western boundary reflections.

Variations in the eastern Indian Ocean warm pool and its relation to the dipole in the tropical Indian Ocean

Based on the monthly average SST and 850 hPa monthly average wind data, the seasonal, interannual and long-term variations in the eastern Indian Ocean warm pool (EIWP) and its relationship to the Indian Ocean Dipole (IOD), and its response to the wind over the Indian Ocean are analyzed in this study. The results show that the distribution range, boundary and area of the EIWP exhibited obviously seasonal and interannual variations associated with the ENSO cycles. Further analysis suggests that the EIWP had obvious long-term trend in its bound edge and area, which indicated the EIWP migrated westwards by about 14 longitudes for its west edge, southwards by about 5 latitudes for its south edge and increased by 3.52x10(6) km(2) for its area, respectively, from 1950 to 2002. The correlation and composite analyses show that the anomalous westward and northward displacements of the EIWP caused by the easterly wind anomaly and the southerly wind anomaly over the eastern equatorial Indian Ocean played an important and direct role in the formation of the IOD.

Study of the molecular configuration and the dipole moment in fluorinated liquid crystals

We have investigated the relationship between the molecular configuration and dipole moment of some fluorinated liquid crystals (LCs). The aeornetries of the molecules were preliminarily optimized at empirical AM1 and then were further optimized at B3LYP/6-31G(d) level. The dipole moment has been calculated. It is strongly influenced by the position and number of fluorine substituents in the benzene ring of the molecule. The polarizability, mean polarizabilities, and anisotropic polarizability of the phenylbicyclohexane (PBC) fluorine substituents are also given and discussed. (c) 2004 Wiley Periodicals, Inc.

Accommodation of large plastic strains and defect accumulation in nanocrystalline Ni grains

A transmission electron microscopy (TEM) study has been carried out to uncover how dislocations and twins accommodate large plastic strains and accumulate in very small nanocrystalline Ni grains during low-temperature deformation. We illustrate dislocation patterns that suggest preferential deformation and nonuniform defect storage inside the nanocrystalline grain. Dislocations are present in individual and dipole configurations. Most dislocations are of the 60 degrees type and pile up on (111) slip planes. Various deformation responses, in the forms of dislocations and twinning, may simultaneously occur inside a nanocrystalline grain. Evidence for twin boundary migration has been obtained. The rearrangement and organization of dislocations, sometimes interacting with the twins, lead to the formation of subgrain boundaries, subdividing the nanograin into mosaic domain structures. The observation of strain (deformation)-induced refinement contrasts with the recently reported stress-assisted grain growth in nanocrystalline metals and has implications for understanding the stability and deformation behavior of these highly nonequilibrium materials.

Heating, current drive and confinement regimes with the JET ICRH and lhcd systems

During its 1990 operation, 2 large RF systems were available on JET. The Ion Cyclotron Resonance Heating (ICRH) system was equipped with new beryllium screens and with feedback matching systems. Specific impurities generated by ICRH were reduced to negligible levels even in the most stringent H-mode conditions. A maximum power of 22 MW was coupled to L-mode plasmas. High quality H-modes (tau-E greater-than-or-equal-to 2.5 tau-EG) were achieved using dipole phasing. A new high confinement mode was discovered. It combines the properties of the H-mode regime to the low central diffusivities obtained by pellet injection. A value of n(d) tau-E T(i) = 7.8 x 10(20) m-3 s keV was obtained in this mode with T(e) approximately T(i) approximately 11 keV. In the L-mode regime, a regime, a record (140 kW) D-He-3 fusion power was generated with 10 - 14 MW of ICRH at the He-3 cyclotron frequency. Experiments were performed with the prototype launcher of the Lower Hybrid Current Drive (LHCD) systems with coupled power up to 1.6 MW with current drive efficiencies up to < n(e) > R I(CD)/P = 0.4 x 10(20) m-2 A/W. Fast electrons are driven by LHCD to tail temperatures of 100 keV with a hollow radial profile. Paradoxically, LHCD induces central heating particularly in combination with ICRH. Finally we present the first observations of the synergistic acceleration of fast electrons by Transit Time Magnetic Pumping (TTMP) (from ICRH) and Electron Landau Damping (ELD) (from LHCD). The synergism generates TTMP current drive even without phasing the ICRH antennae.

Hydroelectric Voltage Generation Based On Water-Filled Single-Walled Carbon Nanotubes

A DFT/MD mutual iterative method was employed to give insights into the mechanism of voltage generation based on water-fitted single-walled carbon nanotubes (SWCNTs). Our calculations showed that a constant voltage difference of several mV would generate between the two ends of a carbon nanotube, due to interactions between the water dipole chains and charge carriers in the tube. Our work validates this structure of a water-fitted SWCNT as a promising candidate for a synthetic nanoscale power cell, as well as a practical nanopower harvesting device at the atomic level. 

Transport Properties And Induced Voltage In The Structure Of Water-Filled Single-Walled Boron-Nitrogen Nanotubes

Density functional theory/molecular dynamics simulations were employed to give insights into the mechanism of voltage generation based on a water-filled single-walled boron-nitrogen nanotube (SWBNNT). Our calculations showed that (1) the transport properties of confined water in a SWBNNT are different from those of bulk water in view of configuration, the diffusion coefficient, the dipole orientation, and the density distribution, and (2) a voltage difference of several millivolts would generate between the two ends of a SWBNNT due to interactions between the water dipole chains and charge carriers in the tube. Therefore, this structure of a water-filled SWBNNT can be a promising candidate for a synthetic nanoscale power cell as well as a practical nanopower harvesting device.

Transport properties and induced voltage in the structure of water-filled single-walled boron-nitrogen nanotubes

Density functional theory/molecular dynamics simulations were employed to give insights into the mechanism of voltage generation based on a water-filled single-walled boron-nitrogen nanotube (SWBNNT). Our calculations showed that (1) the transport properties of confined water in a SWBNNT are different from those of bulk water in view of configuration the diffusion coefficient the dipole orientation and the density distribution and (2) a voltage difference of several millivolts would generate between the two ends of a SWBNNT due to interactions between the water dipole chains and charge carriers in the tube. Therefore this structure of a water-filled SWBNNT can be a promising candidate for a synthetic nanoscale power cell as well as a practical nanopower harvesting device.