Some Further Results for the Stationary Points and Dynamics of Supercooled Liquids

We present some new theoretical and computational results for the stationary points of bulk systems. First we demonstrate how the potential energy surface can be partitioned into catchment basins associated with every stationary point using a combination of Newton-Raphson and eigenvector-following techniques. Numerical results are presented for a 256-atom supercell representation of a binary Lennard-Jones system. We then derive analytical formulae for the number of stationary points as a function of both system size and the Hessian index, using a framework based upon weakly interacting subsystems. This analysis reveals a simple relation between the total number of stationary points, the number of local minima, and the number of transition states connected on average to each minimum. Finally we calculate two measures of localisation for the displacements corresponding to Hessian eigenvectors in samples of stationary points obtained from the Newton-Raphson-based geometry optimisation scheme. Systematic differences are found between the properties of eigenvectors corresponding to positive and negative Hessian eigenvalues, and localised character is most pronounced for stationary points with low values of the Hessian index.Comment: 16 pages, 2 figure

Space-efficient detection of unusual words

Detecting all the strings that occur in a text more frequently or less frequently than expected according to an IID or a Markov model is a basic problem in string mining, yet current algorithms are based on data structures that are either space-inefficient or incur large slowdowns, and current implementations cannot scale to genomes or metagenomes in practice. In this paper we engineer an algorithm based on the suffix tree of a string to use just a small data structure built on the Burrows-Wheeler transform, and a stack of $O(\sigma^2\log^2 n)$ bits, where $n$ is the length of the string and $\sigma$ is the size of the alphabet. The size of the stack is $o(n)$ except for very large values of $\sigma$. We further improve the algorithm by removing its time dependency on $\sigma$, by reporting only a subset of the maximal repeats and of the minimal rare words of the string, and by detecting and scoring candidate under-represented strings that $\textit{do not occur}$ in the string. Our algorithms are practical and work directly on the BWT, thus they can be immediately applied to a number of existing datasets that are available in this form, returning this string mining problem to a manageable scale.Comment: arXiv admin note: text overlap with arXiv:1502.0637

VLTI/MIDI 10 micron interferometry of the forming massive star W33A

We report on resolved interferometric observations with VLTI/MIDI of the massive young stellar object (MYSO) W33A. The MIDI observations deliver spectrally dispersed visibilities with values between 0.03 and 0.06, for a baseline of 45m over the wavelength range 8-13 micron. The visibilities indicate that W33A has a FWHM size of approximately 120AU (0.030'') at 8 micron which increases to 240AU at 13 micron, scales previously unexplored among MYSOs. This observed trend is consistent with the temperature falling off with distance. 1D dust radiative transfer models are simultaneously fit to the visibility spectrum, the strong silicate feature and the shape of the mid infrared spectral energy distribution (SED). For any powerlaw density distribution, we find that the sizes (as implied by the visibilities) and the stellar luminosity are incompatible. A reduction to a third of W33A's previously adopted luminosity is required to match the visibilities; such a reduction is consistent with new high resolution 70 micron data from Spitzer's MIPSGAL survey. We obtain best fits for models with shallow dust density distributions of r^(-0.5) and r^(-1.0) and for increased optical depth in the silicate feature produced by decreasing the ISM ratio of graphite to silicates and using optical grain properties by Ossenkopf et al. (1992).Comment: 4 pages, 4 figures. Accepted for ApJ letter

Even faster sorting of (not only) integers

In this paper we introduce RADULS2, the fastest parallel sorter based on radix algorithm. It is optimized to process huge amounts of data making use of modern multicore CPUs. The main novelties include: extremely optimized algorithm for handling tiny arrays (up to about a hundred of records) that could appear even billions times as subproblems to handle and improved processing of larger subarrays with better use of non-temporal memory stores

Bound States of the q-Deformed AdS5 x S5 Superstring S-matrix

The investigation of the q deformation of the S-matrix for excitations on the string world sheet in AdS5 x S5 is continued. We argue that due to the lack of Lorentz invariance the situation is more subtle than in a relativistic theory in that the nature of bound states depends on their momentum. At low enough momentum |p|<E the bound states transform in the anti-symmetric representation of the super-algebra symmetry and become the solitons of the Pohlmeyer reduced theory in the relativistic limit. At a critical momentum |p|=E they become marginally unstable, and at higher momenta the stable bound states are in the symmetric representation and become the familiar magnons in the string limit as q->1. This subtlety fixes a problem involving the consistency of crossing symmetry with the relativistic limit found in earlier work. With mirror kinematics, obtained after a double Wick rotation, the bound state structure is simpler and there are no marginally unstable bound states.Comment: 25 page

Near-infrared integral field spectroscopy of Massive Young Stellar Objects

We present medium resolution ($R\approx5300$) $K$-band integral field spectroscopy of six MYSOs. The targets are selected from the RMS survey, and we used the NIFS on the Gemini North telescope. The data show various spectral line features including Br$\gamma$, CO, H$_2$, and \mbox{He\,{\sc i}}. The Br$\gamma$ line is detected in emission in all objects with $v_\mathrm{FWHM}\sim100$ -- 200 kms$^{-1}$. V645 Cyg shows a high-velocity P-Cygni profile between -800 kms$^{-1}$ and -300 kms$^{-1}$. We performed three-dimensional spectroastrometry to diagnose the circumstellar environment in the vicinity of the central stars using the Br$\gamma$ line. We measured the centroids of the velocity components with sub-mas precision. The centroids allow us to discriminate the blueshifted and redshifted components in a roughly east--west direction in both IRAS 18151--1208 and S106 in Br$\gamma$. This lies almost perpendicular to observed larger scale outflows. We conclude, given the widths of the lines and the orientation of the spectroastrometric signature, that our results trace a disc wind in both IRAS 18151--1208 and S106. The CO $\nu=2-0$ absorption lines at low $J$ transitions are detected in IRAS 18151--1208 and AFGL 2136. We analysed the velocity structure of the neutral gas discs. In IRAS 18151--1208, the absorption centroids of the blueshifted and redshifted components are separated in a direction of north-east to south-west, nearly perpendicular to that of the larger scale $H_2$ jet. The position-velocity relations of these objects can be reproduced with central masses of 30 M_{\sun} for IRAS 18151--1208 and 20 M_{\sun} for AFGL 2136. We also detect CO $\nu=2-0$ bandhead emission in IRAS 18151--1208, S106 and V645 Cyg. The results can be fitted reasonably with a Keplerian rotation model, with masses of 15, 20 and 20 M_{\sun} respectively.Comment: 17 pages, 10 figures, accepted by MNRA

Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms

We describe a global optimization technique using `basin-hopping' in which the potential energy surface is transformed into a collection of interpenetrating staircases. This method has been designed to exploit the features which recent work suggests must be present in an energy landscape for efficient relaxation to the global minimum. The transformation associates any point in configuration space with the local minimum obtained by a geometry optimization started from that point, effectively removing transition state regions from the problem. However, unlike other methods based upon hypersurface deformation, this transformation does not change the global minimum. The lowest known structures are located for all Lennard-Jones clusters up to 110 atoms, including a number that have never been found before in unbiased searches.Comment: 8 pages, 3 figures, revte

Ionization of clusters in intense laser pulses through collective electron dynamics

The motion of electrons and ions in medium-sized rare gas clusters (1000 atoms) exposed to intense laser pulses is studied microscopically by means of classical molecular dynamics using a hierarchical tree code. Pulse parameters for optimum ionization are found to be wavelength dependent. This resonant behavior is traced back to a collective electron oscillation inside the charged cluster. It is shown that this dynamics can be well described by a driven and damped harmonic oscillator allowing for a clear discrimination against other energy absorption mechanisms.Comment: 4 pages (4 figures

Probing discs around massive young stellar objects with CO first overtone emission

We present high resolution (R~50,000) spectroastrometry over the CO 1st overtone bandhead of a sample of seven intermediate/massive young stellar objects. These are primarily drawn from the red MSX source (RMS) survey, a systematic search for young massive stars which has returned a large, well selected sample of such objects. The mean luminosity of the sample is approximately 5 times 10^4 L_\odot, indicating the objects typically have a mass of ~15 solar masses. We fit the observed bandhead profiles with a model of a circumstellar disc, and find good agreement between the models and observations for all but one object. We compare the high angular precision (0.2-0.8 mas) spectroastrometric data to the spatial distribution of the emitting material in the best-fitting models. No spatial signatures of discs are detected, which is entirely consistent with the properties of the best-fitting models. Therefore, the observations suggest that the CO bandhead emission of massive young stellar objects originates in small-scale disks, in agreement with previous work. This provides further evidence that massive stars form via disc accretion, as suggested by recent simulations.Comment: Accepted for publication in MNRA