Transition-metal interactions in aluminum-rich intermetallics

The extension of the first-principles generalized pseudopotential theory (GPT) to transition-metal (TM) aluminides produces pair and many-body interactions that allow efficient calculations of total energies. In aluminum-rich systems treated at the pair-potential level, one practical limitation is a transition-metal over-binding that creates an unrealistic TM-TM attraction at short separations in the absence of balancing many-body contributions. Even with this limitation, the GPT pair potentials have been used effectively in total-energy calculations for Al-TM systems with TM atoms at separations greater than 4 AA. An additional potential term may be added for systems with shorter TM atom separations, formally folding repulsive contributions of the three- and higher-body interactions into the pair potentials, resulting in structure-dependent TM-TM potentials. Towards this end, we have performed numerical ab-initio total-energy calculations using VASP (Vienna Ab Initio Simulation Package) for an Al-Co-Ni compound in a particular quasicrystalline approximant structure. The results allow us to fit a short-ranged, many-body correction of the form a(r_0/r)^{b} to the GPT pair potentials for Co-Co, Co-Ni, and Ni-Ni interactions.Comment: 18 pages, 5 figures, submitted to PR

Manual of techniques for estimating bacterial growth rates, productivity and numbers in aquaculture ponds

Heterotrophic microorganisms, especially bacteria, play an important part in decomposition processes, nutrient cycling and food chains in aquatic systems. A number of different methods have been proposed for measuring microbial growth rates, but many are not specific for bacteria or do not include the whole population. It is evident that the ideal method should involve minimal handling of the bacterial population and be applied quickly so as not to alter natural or in situ growth rates or to be influenced by bacterial grazers. The use of radioactive nucleicacid precursors especially thymidine, to measure the rate of DNA synthesis has many of the prerequisites of the ideal method. As with all other techniques, there are disadvantages as well as advantages in using measurements of nucleicacid synthesi

Melting curve and Hugoniot of molybdenum up to 400 GPa by ab initio simulations

We report ab initio calculations of the melting curve and Hugoniot of molybdenum for the pressure range 0-400 GPa, using density functional theory (DFT) in the projector augmented wave (PAW) implementation. We use the ``reference coexistence'' technique to overcome uncertainties inherent in earlier DFT calculations of the melting curve of Mo. Our calculated melting curve agrees well with experiment at ambient pressure and is consistent with shock data at high pressure, but does not agree with the high pressure melting curve from static compression experiments. Our calculated P(V) and T(P) Hugoniot relations agree well with shock measurements. We use calculations of phonon dispersion relations as a function of pressure to eliminate some possible interpretations of the solid-solid phase transition observed in shock experiments on Mo.Comment: 8 pages, 6 figure

Dynamic and static properties of the invaded cluster algorithm

Simulations of the two-dimensional Ising and 3-state Potts models at their critical points are performed using the invaded cluster (IC) algorithm. It is argued that observables measured on a sub-lattice of size l should exhibit a crossover to Swendsen-Wang (SW) behavior for l sufficiently less than the lattice size L, and a scaling form is proposed to describe the crossover phenomenon. It is found that the energy autocorrelation time tau(l,L) for an l*l sub-lattice attains a maximum in the crossover region, and a dynamic exponent z for the IC algorithm is defined according to tau_max ~ L^z. Simulation results for the 3-state model yield z=.346(.002) which is smaller than values of the dynamic exponent found for the SW and Wolff algorithms and also less than the Li-Sokal bound. The results are less conclusive for the Ising model, but it appears that z<.21 and possibly that tau_max ~ log L so that z=0 -- similar to previous results for the SW and Wolff algorithms.Comment: 21 pages with 12 figure

The Broadband Afterglow of GRB980329

We present radio observations of the afterglow of the bright gamma-ray burst GRB980329 made between one month and several years after the burst, a re-analysis of previously published submillimeter data, and late-time optical and near-infrared (NIR) observations of the host galaxy. From the absence of a spectral break in the optical/NIR colors of the host galaxy, we exclude the earlier suggestion that GRB980329 lies at a redshift of z >~5. We combine our data with the numerous multi-wavelength observations of the early afterglow, fit a comprehensive afterglow model to the entire broadband dataset, and derive fundamental physical parameters of the blast-wave and its host environment. Models for which the ejecta expand isotropically require both a high circumburst density and extreme radiative losses from the shock. No low density model (n << 10 cm^{-3}) fits the data. A burst with a total energy of ~ 10^{51} erg, with the ejecta narrowly collimated to an opening angle of a few degrees, driven into a surrounding medium with density ~ 20 cm^{-3}, provides a satisfactory fit to the lightcurves over a range of redshifts.Comment: 27 pages, incl. 6 figures, minor revisions (e.g. added/updated references) Accepted by Ap

Multiwavelength Observations of a Flare from Markarian 501

We present multiwavelength observations of the BL Lacertae object Markarian 501 (Mrk 501) in 1997 between April 8 and April 19. Evidence of correlated variability is seen in very high energy (VHE, E > 350 GeV) gamma-ray observations taken with the Whipple Observatory gamma-ray telescope, data from the Oriented Scintillation Spectrometer Experiment of the Compton Gamma-Ray Observatory, and quicklook results from the All-Sky Monitor of the Rossi X-ray Timing Explorer while the Energetic Gamma-Ray Experiment Telescope did not detect Mrk 501. Short term optical correlations are not conclusive but the U-band flux observed with the 1.2m telescope of the Whipple Observatory was 10% higher than in March. The average energy output of Mrk 501 appears to peak in the 2 keV to 100 keV range suggesting an extension of the synchrotron emission to at least 100 keV, the highest observed in a blazar and ~100 times higher than that seen in the other TeV-emitting BL Lac object, Mrk 421. The VHE gamma-ray flux observed during this period is the highest ever detected from this object. The VHE gamma-ray energy output is somewhat lower than the 2-100 keV range but the variability amplitude is larger. The correlations seen here do not require relativistic beaming of the emission unless the VHE spectrum extends to >5 TeV.Comment: 10 pages, 2 figures, accepted for publication in ApJ Letter

Numerical simulations of string networks in the Abelian-Higgs model

We present the results of a field theory simulation of networks of strings in the Abelian Higgs model. Starting from a random initial configuration we show that the resulting vortex tangle approaches a self-similar regime in which the length density of lines of zeros of $\phi$ reduces as $t^{-2}$. We demonstrate that the network loses energy directly into scalar and gauge radiation. These results support a recent claim that particle production, and not gravitational radiation, is the dominant energy loss mechanism for cosmic strings. This means that cosmic strings in Grand Unified Theories are severely constrained by high energy cosmic ray fluxes: either they are ruled out, or an implausibly small fraction of their energy ends up in quarks and leptons.Comment: 4pp RevTeX, 3 eps figures, clarifications and new results included, to be published in Phys. Rev. Let

Discovery of Early Optical Emission from GRB 021211

We report our discovery and early time optical, near-infrared, and radio wavelength follow-up observations of the afterglow of the gamma-ray burst GRB 021211. Our optical observations, beginning 21 min after the burst trigger, demonstrate that the early afterglow of this burst is roughly three magnitudes fainter than the afterglow of GRB 990123 at similar epochs, and fainter than almost all known afterglows at an epoch of 1d after the GRB. Our near-infrared and optical observations indicate that this is not due to extinction. Combining our observations with data reported by other groups, we identify the signature of a reverse shock. This reverse shock is not detected to a 3-sigma limit of 110 uJy in an 8.46-GHz VLA observation at t=0.10d, implying either that the Lorentz factor of the burst gamma <~ 200, or that synchrotron self-absorption effects dominate the radio emission at this time. Our early optical observations, near the peak of the optical afterglow (forward shock), allow us to characterize the afterglow in detail. Comparing our model to flux upper limits from the VLA at later times, t >~ 1 week, we find that the late-time radio flux is suppressed by a factor of two relative to the >~ 80 uJy peak flux at optical wavelengths. This suppression is not likely to be due to synchrotron self-absorption or an early jet break, and we suggest instead that the burst may have suffered substantial radiative corrections.Comment: 13 pages, 2 figures, ApJL accepted; edits for lengt

Multiwavelength Observations of Markarian 421 in March 2001: an Unprecedented View on the X-ray/TeV Correlated Variability

(Abridged) We present a detailed analysis of week-long simultaneous observations of the blazar Mrk421 at 2-60 keV X-rays (RXTE) and TeV gamma-rays (Whipple and HEGRA) in 2001. The unprecedented quality of this dataset enables us to establish firmly the existence of the correlation between the TeV and X-ray luminosities, and to start unveiling some of its more detailed characteristics, in particular its energy dependence, and time variability. The source shows strong, highly correlated variations in X-ray and gamma-ray. No evidence of X-ray/gamma-ray interband lag is found on the full week dataset (<3 ks). However, a detailed analysis of the March 19 flare reveals that data are not consistent with the peak of the outburst in the 2-4 keV X-ray and TeV band being simultaneous. We estimate a 2.1+/-0.7 ks TeV lag. The amplitudes of the X-ray and gamma-ray variations are also highly correlated, and the TeV luminosity increases more than linearly w.r.t. the X-ray one. The strong correlation supports the standard model in which a unique electrons population produces the X-rays by synchrotron radiation and the gamma-ray component by inverse Compton scattering. However, for the individual best observed flares the gamma-ray flux scales approximately quadratically w.r.t. the X-ray flux, posing a serious challenge to emission models for TeV blazars. Rather special conditions and/or fine tuning of the temporal evolution of the physical parameters of the emission region are required in order to reproduce the quadratic correlation.Comment: Correction to authorship. Minor editorial changes to text, figures, references. 22 pages (emulateapj), 12 figures (47 postscript files) Published in ApJ, 2008 April 20 (ADS: 2008ApJ...677..906F

Ab Initio Study of Screw Dislocations in Mo and Ta: A new picture of plasticity in bcc transition metals

We report the first ab initio density-functional study of screw dislocations cores in the bcc transition metals Mo and Ta. Our results suggest a new picture of bcc plasticity with symmetric and compact dislocation cores, contrary to the presently accepted picture based on continuum and interatomic potentials. Core energy scales in this new picture are in much better agreement with the Peierls energy barriers to dislocation motion suggested by experiments.Comment: 3 figures, 3 table