Ab initio simulation of charged slabs at constant chemical potential

We present a practical scheme for performing ab initio supercell calculations of charged slabs at constant electron chemical potential mu, rather than at constant number of electrons N-e. To this end, we define the chemical potential relative to a plane (or "reference electrode") at a finite distance from the slab (the distance should reflect the particular geometry of the situation being modeled). To avoid a net charge in the supercell, and thus make possible a standard supercell calculation, we restore the electroneutrality of the periodically repeated unit by means of a compensating charge, whose contribution to the total energy and potential is subtracted afterwards. The "constant mu" mode enables one to perform supercell calculation on slabs, where the slab is kept at a fixed potential relative to the reference electrode. We expect this to be useful in modeling many experimental situations, especially in electro-chemistry. (C) 2001 American Institute of Physics.

Random walk of magnetic field lines for different values of the energy range spectral index

An analytical nonlinear description of field-line wandering in partially statistically magnetic systems was proposed recently. In this article the influence of the wave spectrum in the energy range onto field-line random walk is investigated by applying this formulation. It is demonstrated that in all considered cases we clearly obtain a superdiffusive behavior of the field-lines. If the energy range spectral index exceeds unity a free-streaming behavior of the field-lines can be found for all relevant length-scales of turbulence. Since the superdiffusive results obtained for the slab model are exact, it seems that superdiffusion is the normal behavior of field-line wandering.

Soft x-ray free electron laser microfocus for exploring matter under extreme conditions

We have focused a beam (BL3) of FLASH (Free-electron LASer in Hamburg: lambda = 13.5 nm, pulse length 15 fs, pulse energy 10-40 mu J, 5Hz) using a fine polished off-axis parabola having a focal length of 270 mm and coated with a Mo/Si multilayer with an initial reflectivity of 67% at 13.5 nm. The OAP was mounted and aligned with a picomotor controlled six-axis gimbal. Beam imprints on poly(methyl methacrylate) -PMMA were used to measure focus and the focused beam was used to create isochoric heating of various slab targets. Results show the focal spot has a diameter of

Analysis of compressive membrane action in concrete slabs

This paper summarises the results obtained from non-linear finite-element analysis (NLFEA) of a series of reinforced-concrete one-way slabs with various boundary conditions representative of a bridge deck slab strip in which compressive membrane action governs the structural behaviour. The application of NLFEA for the optimum analysis and design of in-plane restrained concrete slabs is explored. An accurate material model and various equation solution methods were assessed to find a suitable finite-element method for the analysis of concrete slabs in which arching action occurs. Finally, the results from the NLFEA are compared and validated with those from various experimental test data. Significantly, the numerical analysis was able to model the arching action that occurred as a result of external in-plane restraint at the supports and which enhanced the ultimate strength of the slab. The NLFEA gave excellent predictions for the ultimate load-carrying capacity and far more accurate predictions than those obtained using standard flexural or elastic theory.

Investigation of Ultimate Strength of Deck Slabs in Steel-Concrete Bridges

In the last 50 years, many bridges have been built as composite structures with decks of reinforced concrete that are supported by longitudinal steel beams. The presence of the longitudinal steel beams and the unloaded area of concrete slab cause the loaded deck slabs to be restrained against lateral expansion. As a result, a compressive membrane thrust is developed. In experimental tests, the authors built a series of one-third scale steel-concrete composite bridge models with several varying structural parameters, including concrete compressive strength, reinforcement percentage, and the size of steel supporting beams. After comparing the results of different models, the influence of these structural parameters on the amount of compressive membrane action in the deck slab was evaluated. Furthermore, the improvement of an existing theoretical model provided accurate predictions for the loading-carrying capacities.

'Saig in Machai Fothúaid': On the Application and Extent of ‘the Macha’ in North-west Armagh

The seventh-century Patrician documents in the Book of Armagh, and other early sources such as Bethu Phátraic, contain references to the toponym Macha, which has been identified by the Dictionary of the Irish Language with either the ecclesiastical centre of Ard Macha or the ‘royal seat’ of Emain Macha. This article examines the evidence for the name in the sources and illustrates that Macha applies primarily to the plain in which both Ard Macha and Emain Macha are located. It is to be identified with Mag Macha ‘the plain of Macha’, familiar to us from the Dindshenchus, and further evidence of the organic potential of a given toponym is witnessed in later sources where the plain is referred to as Mag/Machaire na hE(a)mna ‘the plain of Emain’ and Machaire Aird/Arda Macha ‘the plain of Armagh’. The extent of Macha is difficult to establish with certainty, but it seems very likely that it stretched north to the River Blackwater as well as south towards Slíab Fúait.

Large-scale density functional calculations of the surface properties of the Wigner crystal

The surface properties of the jellium model have been investigated by large supercell computations in the density functional theory-local spin-density (DFT-LSD) approach for planar slabs with up to 1000 electrons. A wide interval of densities has been explored, extending into the stability range of the Wigner crystal. Most computations have been carried out on nominally paramagnetic samples with an equal number of spin-up and spin-down electrons. The results show that within DFT-LSD spontaneous spin polarization and charge localization start nearly simultaneously at the surface for r(s) similar to 20, then, with decreasing density, they progress toward the center of the slab. Electrons are fully localized and spin polarized at r(s) = 30. At this density the charge distribution is the superposition of disjoint charge blobs, each corresponding to one electron. The distribution of blobs displays both regularities and disorder, the first being represented by well-defined planes and simple in-plane geometries, and the latter by a variety of surface defects. The surface energy, surface dipole, electric polarisability, and magnetization pattern have been determined as a function of density. All these quantities display characteristic anomalies at the density of the localization transition. The analysis of the low-frequency electric conductivity shows that in the fluid paramagnetic regime the in-plane current preferentially flows in the central region of the slab and the two spin channels are equally conducting. In the charge localized, spin-polarized regime, conductivity is primarily a surface effect, and an apparent asymmetry is observed in the two spin currents.

Thermodynamic properties and atomistic structure of the dry amorphous silica surface from a reactive force field model

A force field model of the Keating type supplemented by rules to break, form, and interchange bonds is applied to investigate thermodynamic and structural properties of the amorphous SiO2 surface. A simulated quench from the liquid phase has been carried out for a silica sample made of 3888 silicon and 7776 oxygen atoms arranged on a slab similar to 40 angstrom thick, periodically repeated along two directions. The quench results into an amorphous sample, exposing two parallel square surfaces of similar to 42 nm(2) area each. Thermal averages computed during the quench allow us to determine the surface thermodynamic properties as a function of temperature. The surface tension turns out to be gamma=310 +/- 20 erg/cm(2) at room temperature and gamma=270 +/- 30 at T=2000 K, in fair agreement with available experimental estimates. The entropy contribution Ts-s to the surface tension is relatively low at all temperatures, representing at most similar to 20% of the surface energy. Almost without exceptions, Si atoms are fourfold coordinated and oxygen atoms are twofold coordinated. Twofold and threefold rings appear only at low concentration and are preferentially found in proximity of the surface. Above the glass temperature T-g=1660 +/- 50 K, the mobility of surface atoms is, as expected, slightly higher than that of bulk atoms. The computation of the height-height correlation function shows that the silica surface is rough in the equilibrium and undercooled liquid phase, becoming smooth below the glass temperature T-g.

Designed ultrafast optical nonlinearity in a plasmonic nanorod metamaterial enhanced by nonlocality

All-optical signal processing enables modulation and transmission speeds not achievable using electronics alone(1,2). However, its practical applications are limited by the inherently weak nonlinear effects that govern photon-photon interactions in conventional materials, particularly at high switching rates(3). Here, we show that the recently discovered nonlocal optical behaviour of plasmonic nanorod metamaterials(4) enables an enhanced, ultrafast, nonlinear optical response. We observe a large (80%) change of transmission through a subwavelength thick slab of metamaterial subjected to a low control light fluence of 7 mJ cm(-2), with switching frequencies in the terahertz range. We show that both the response time and the nonlinearity can be engineered by appropriate design of the metamaterial nanostructure. The use of nonlocality to enhance the nonlinear optical response of metamaterials, demonstrated here in plasmonic nanorod composites, could lead to ultrafast, low-power all-optical information processing in subwavelength-scale devices.

Dependence of spatial coherence of 23.2-23.6-nm radiation on the geometry of a multielement germanium x-ray laser target

The spatial coherence of a nanosecond pulsed germanium collisionally excited x-ray laser is measured experimentally for three target configurations. The diagnostic is based on Young's slit interference fringes with a dispersing element to resolve the 23.2- and 23.6-nm spectral lines. Target configurations include a double-slab target, known as the injector, and geometries in which the injector image is image relayed to seed either an additional single-slab target or a second double-slab target. A special feature of this study is the observation of the change in the apparent source size with angle of refraction across the diverging laser beam. Source sizes derived with a Gaussian source model decrease from 44 mu m for the injector target by a variable factor of as much as 2, according to target configuration, for beams leaving the additional amplifiers after strong refraction in the plasma. (C) 1998 Optical Society of America [S0740-3224(98)00810-8].

Time dependence of the spatial coherence of the 23.6- and 23.2-nm radiation from the germanium soft-x-ray laser

The time dependence of the spatial coherence of the combined spectral lines at 23.2 and 23.6 nm from the Ge XXIII collisionally pumped soft-x-ray laser with a double-slab target is examined within a single nanosecond pulse by use of Young's interference fringes and a streak camera. High source intensity is linked with low spatial coherence and vice verse. Calculations of the source intensity, size, and position have also been made; these calculations refer to a single-slab source. Comparison between the observed and calculated intensities, and of the source sizes both calculated and derived from the Young's fringes by interpretation with a Gaussian model of source emission, show good agreement in general trends. (C) 1998 Optical Society of America [S0740-3224(98)01905-5].

Near-field spatial imaging of a Ni-like Ag 140-angstrom x-ray laser

We measure the two-dimensional, near-field spatial distribution of a 140-Angstrom nickel-like silver x-ray laser at the output aperture with high magnification using a curved multilayer x-ray mirror to image the output onto an x-ray charge-coupled device camera. Lasing is created by illuminating silver slab targets with a pair of 75 ps laser pulses separated by 2.2 nsec from the Vulcan laser. The two-dimensional, high-resolution, spatial image shows the x-ray laser source size and its position relative to the target surface. A dramatic change in both the position and source size are observed for the refraction compensating curved target as compared with the flat targets.

Spatial coherence of x-ray laser emission from neonlike germanium after prepulse

The time-integrated spatial coherence of neonlike germanium x-ray laser radiation has been studied with a new dispersing coherence diagnostic. Angle-dependent spatial coherence data are recorded by sampling the diverging beam at each lasing wavelength in several directions simultaneously. Measurements of the spatial coherence, and hence effective source sizes, relevant to the output beams from double-slab targets for the J = 2-1 spectral lines at wavelengths 28.6, 23.6, and 23.2 nm and for the J = 0-1 line at 19.6 nm show differences, which indicate different conditions in the plasma volume amplifying these emissions. Targets are pumped by subnanosecond pulse drivers, with and without a prepulse, but 19.6 nm emission is detected only in the prepulsed case. The differences are discussed in terms of the time evolution of the spectral lines. (C) 1997 Optical Society of America.

The influence of prepulse level on the 3p-3s XUV laser output from Ne-like ions of Zn, Cu and Ni

We have studied the effect of prepulses in enhancing the efficiency of generating ASE beams in soft X-ray laser plasma amplifiers based on pumping Ne-like ions, Slab targets were irradiated with a weak prepulse followed by a main plasma heating pulse of nanosecond duration, Time-integrated; time and spectrally resolved and time and angularly resolved lasing emissions on the 3p-3s (J=0-1) XUV lasing lines of Ne-like Ni, Cu and Zn at wavelengths 232 Angstrom 221 Angstrom and 212 Angstrom respectively have been monitored. Measurements were made for pre-pulse/main-pulse intensity ratios from 10(-5)-10(-1) and for pump delay times of 2 ns and 4.5 ns. Zinc is shown to exhibit a peak in output intensity at similar to 2x10(-3) pre-pulse fraction for a 4.5 ns pump delay, with a main pulse pump intensity of similar to 1.3x10(13) W cm(-2) on a 20 mm target. The Zn lasing emission had a duration of similar to 240 ps and this was insensitive to prepulse fraction. The J=0-1 XUV laser output for nickel and copper increased monotonically with prepulse fraction, with copper targets showing least sensitivity to either prepulse level or prepulse to main pulse delay. Under the conditions of the study, the pre-pulse level was observed to haveno significant influence on the output intensity of the 3p-3s (J=2-1) lines of any of the elements investigated.

Using low and high prepulses to enhance the J=0-1 transition at 19.6 nm in the Ne-like germanium XUV laser

We report a study of the effect of prepulses on XUV lasing of Ne-like germanium for an irradiation geometry where approximate to 20 mm long germanium slab targets were irradiated at approximate to 1.6 x 10(13) W cm(-2) using approximate to 0.7 ns (1.06 mu m) pulses from the VULCAN glass laser. Prepulses were generated at fractional power levels of approximate to 2 x 10(-4) (low) and approximate to 2 x 10(-2) (high) and arrived on target 5 and 3.2 ns respectively in advance of the main heating pulse, For both the low and high prepulses the output of the 3p-3s, J = 0-1, line at 19.6 nm was enhanced such that the peak radiant density (J/st) for this line became greater than that for the normally stronger J = 2-1 lines at 23.2 and 23.6 nm. The J = 0-1 line, whose FWHM duration was reduced from approximate to 450 ps to approximate to 100 ps, delivered approximate to 6 x more power (W) than the average for the combined J = 2-1 lines, whose FWHM duration was approximate to 500 ps for both levels of prepulse, The higher prepulse was more effective, yielding approximate to 2 x more radiant density and approximate to 7 x more power on both the J = 0-1 and J = 2-1 transitions compared to the low prepulse case, The most dramatic observation overall was the approximate to 40 x increase of power in the J = 0-1 line for the high prepulse (approximate to 2%) case compared with the zero prepulse case. These observations, coupled with measurements of beam divergence and beam deviation through refractive bending, as well as general agreement with modelling, lead us to conclude that, for germanium, the main influence of the prepulse is (a) to increase the energy absorbed from the main pulse, (b) to increase the volume of the gain zone and (c) to relax the plasma density gradients, particularly in the J = 0-1 gain zone.