Temperature independent band structure of WTe2 as observed from ARPES

Extremely large magnetoresistance (XMR), observed in transition metal dichalcogendies, WTe$_2$, has attracted recently a great deal of research interests as it shows no sign of saturation up to the magnetic field as high as 60 T, in addition to the presence of type-II Weyl fermions. Currently, there has been a lot of discussion on the role of band structure changes on the temperature dependent XMR in this compound. In this contribution, we study the band structure of WTe$_2$ using angle-resolved photoemission spectroscopy (ARPES) and first-principle calculations to demonstrate that the temperature dependent band structure has no substantial effect on the temperature dependent XMR as our measurements do not show band structure changes on increasing the sample temperature between 20 and 130 K. We further observe an electronlike surface state, dispersing in such a way that it connects the top of bulk holelike band to the bottom of bulk electronlike band. Interestingly, similar to bulk states, the surface state is also mostly intact with the sample temperature. Our results provide invaluable information in shaping the mechanism of temperature dependent XMR in WTe$_2$.Comment: 7 pages, 3 figures. arXiv admin note: text overlap with arXiv:1705.0721

In silico prediction of acute chemical toxicity of biocides in marine crustaceans using machine learning

Biocides are a heterogeneous group of chemical substances intended to control the growth or kill undesired organisms. Due to their extensive use, they enter marine ecosystems via non-point sources and may pose a threat to ecologically important non-target organisms. Consequently, industries and regulatory agencies have recognized the ecotoxicological hazard potential of biocides. However, the prediction of biocide chemical toxicity on marine crustaceans has not been previously evaluated. This study aims to provide in silico models capable of classifying structurally diverse biocidal chemicals into different toxicity categories and predict acute chemical toxicity (LC50) in marine crustaceans using a set of calculated 2D molecular descriptors. The models were built following the guidelines recommended by the OECD (Organization for Economic Cooperation and Development) and validated through stringent processes (internal and external validation). Six machine learning (ML) models were built and compared (linear regression: LR; support vector machine: SVM; random forest: RF; feed-forward backpropagation-based artificial neural network: ANN; decision trees: DT and naïve Bayes: NB) for regression and classification analysis to predict toxicities. All the models displayed encouraging results with high generalisability: the feed-forward-based backpropagation method showed the best results with determination coefficient R2 values of 0.82 and 0.94, respectively, for training set (TS) and validation set (VS). For classification-based modelling, the DT model performed the best with an accuracy (ACC) of 100 % and an area under curve (AUC) value of 1 for both TS and VS. These models showed the potential to replace animal testing for the chemical hazard assessment of untested biocides if they fall within the applicability domain of the proposed models. In general, the models are highly interpretable and robust, with good predictive performance. The models also displayed a trend indicating that toxicity is largely influenced by factors such as lipophilicity, branching, non-polar bonding and saturation of molecules

Mechanism and kinetics of type II discontinuous coarsening in a Zn-4 at% Ag alloy

Discontinuous coarsening (DC) may succeed discontinuous precipitation (DP) either at the same (DCI) or another temperature (DCII). The present study concerns mechanism and kinetics of DCII in a Zn-4 at% Ag alloy in the range 353-513 K following DP at 393 K for 60 h. DCII colonies prefer to initiate either from one or both sides of the interfaces between the former DP colonies. A suitable comparison of the kinetic data reveals that interlamellar spacing (λ) and steady-state growth velocity (v) values in DCII are significantly different than those in DP. On the other hand, the kinetics of DCIvis-a-vis DCII in terms of λ and v are comparable to each other, though the calculated values of the driving forces between them differ marginally. A detailed kinetic analysis of DCII through the Livingston-Cahn model leads to an underestimation of the activation energy (Q b) of grain boundary chemical diffusion of Ag in Zn-Ag (=30.7 kJ mol-1), whereas the same obtained from the modified Petermann-Hornbogen model (=61.0 kJ mol-1) compares well with that for DP/DCI (reported elsewhere by us), and grain boundary self diffusion of Zn. Considering thatQ b in DCII is nearly 50% of the activation energy for volume/matrix diffusion of Ag in Zn, it appears that DCII in the present alloy is a boundary diffusion controlled process

Optical Spectroscopy of Type Ia Supernovae

We present 432 low-dispersion optical spectra of 32 Type Ia supernovae (SNe Ia) that also have well-calibrated light curves. The coverage ranges from 6 epochs to 36 epochs of spectroscopy. Most of the data were obtained with the 1.5m Tillinghast telescope at the F. L. Whipple Observatory with typical wavelength coverage of 3700-7400A and a resolution of ~7A. The earliest spectra are thirteen days before B-band maximum; two-thirds of the SNe were observed before maximum brightness. Coverage for some SNe continues almost to the nebular phase. The consistency of the method of observation and the technique of reduction makes this an ideal data set for studying the spectroscopic diversity of SNe Ia.Comment: Accepted for publication in the Astronomical Journal, 109 pages (including data table), 44 figures, full resolution figures at http://www.noao.edu/noao/staff/matheson/Iaspec.ps.g

A survey of approaches to Virtual Enterprise Architecture: modeling languages, reference models, and architecture frameworks

As the theory and practice of enterprise architecture became mature, researchers and practitioners have started applying similar concepts and approaches to virtual enterprises. The virtual enterprise is a temporary coalition of enterprises joining hands to exploit a particular opportunity. Virtual Enterprise Architecture addresses a Virtual Enterprise holistically at a strategic level. This article provides a definition of Enterprise Architecture, Virtual Enterprise, and Virtual Enterprise Architecture and presents results from a study of six approaches to virtual enterprise architecture for virtual enterprises (NEML, CAML, AVERM, VERAM, BM VEARM, and ARCON)

An Upper Limit on the Reflected Light from the Planet Orbiting the Star tau Bootis

The planet orbiting tau Boo at a separation of 0.046 AU could produce a reflected light flux as bright as 1e-4 relative to that of the star. A spectrum of the system will contain a reflected light component which varies in amplitude and Doppler-shift as the planet orbits the star. Assuming the secondary spectrum is primarily the reflected stellar spectrum, we can limit the relative reflected light flux to be less than 5e-5. This implies an upper limit of 0.3 for the planetary geometric albedo near 480 nm, assuming a planetary radius of 1.2 R_Jup. This albedo is significantly less than that of any of the giant planets of the solar system, and is not consistent with certain published theoretical predictions.Comment: 5 pages, 1 figure, accepted by ApJ Letter

Towards a Mg lattice clock: Observation of the 1S0−^1S_{0}-3P0^3P_{0} transition and determination of the magic wavelength

We optically excite the electronic state $3s3p~^3P_{0}$ in $^{24}$Mg atoms, laser-cooled and trapped in a magic-wavelength lattice. An applied magnetic field enhances the coupling of the light to the otherwise strictly forbidden transition. We determine the magic wavelength, the quadratic magnetic Zeeman shift and the transition frequency to be 468.463(207)$\,$nm, -206.6(2.0)$\,$MHz/T$^2$ and 655 058 646 691(101)$\,$kHz, respectively. These are compared with theoretical predictions and results from complementary experiments. We also developed a high-precision relativistic structure model for magnesium, give an improved theoretical value for the blackbody radiation shift and discuss a clock based on bosonic magnesium.Comment: 5 pages, 3 figure

The Peculiar Type Ic Supernova 1997ef: Another Hypernova

SN 1997ef has been recognized as a peculiar supernova from its light curve and spectral properties. The object was classified as a Type Ic supernova (SN Ic) because its spectra are dominated by broad absorption lines of oxygen and iron, lacking any clear signs of hydrogen or helium line features. The light curve is very different from that of previously known SNe Ic, showing a very broad peak and a slow tail. The strikingly broad line features in the spectra of SN 1997ef, which were also seen in the hypernova SN 1998bw, suggest the interesting possibility that SN 1997ef may also be a hypernova. The light curve and spectra of SN 1997ef were modeled first with a standard SN~Ic model assuming an ordinary kinetic energy of explosion $E_{\rm K} = 10^{51}$ erg. The explosion of a CO star of mass $M_{\rm CO} \approx 6 M_\odot$ gives a reasonably good fit to the light curve but clearly fails to reproduce the broad spectral features. Then, models with larger masses and energies were explored. Both the light curve and the spectra of SN 1997ef are much better reproduced by a C+O star model with $E_{\rm K} =$ 8 \e{51} erg and $M_{\rm CO} = 10 M_\odot$. Therefore, we conclude that SN 1997ef is very likely a hypernova on the basis of its kinetic energy of explosion. Finally, implications for the deviation from spherical symmetry are discussed in an effort to improve the light curve and spectral fits.Comment: "To appear in the Astrophysical Journal, Vol.534 (2000)