Isobaric-isothermal molecular dynamics computer simulations of the properties of water-1,2-dimethoxyethane model mixtures

Isothermal-isobaric molecular dynamics simulations have been performed to examine a broad set of properties of the model water-1,2-dimethoxyethane (DME) mixture as a function of composition. The SPC-E and TIP4P-Ew water models and the modified TraPPE model for DME were applied. Our principal focus was to explore the trends of behaviour of the structural properties in terms of the radial distribution functions, coordination numbers and number of hydrogen bonds between molecules of different species, and of conformations of DME molecules. Thermodynamic properties, such as density, molar volume, enthalpy of mixing and heat capacity at constant pressure have been examined. Finally, the self-diffusion coefficients of species and the dielectric constant of the system were calculated and analyzed.Comment: 14 pages, 9 figure

Effect of strontium and cooling rate upon eutectic temperatures of A319 aluminum alloy

DTA analysis was used to investigate the solidification reactions of alloy A319 with either 12 or 136 ppm of Sr added. Strontium does not affect primary solidification of (Al) dendrites but modifies the kinetics of the (Al)–Si eutectic. The effects of Sr level and of cooling rate on the characteristic temperatures for the (Al)–Si and other eutectic reactions are described

Effects of ion concentration and solvent composition on the properties of water-methanol solutions of NaCl. NPT molecular dynamics computer simulation results

Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and other properties of a model solution consisting of NaCl salt dissolved in water-methanol mixture. The SPC/E water model and the united atom model for methanol are combined with the force field for ions by Dang [J. Amer. Chem. Soc., 1995, 117, 6954] to describe the entire system. Our principal focus is to study the effects of two variables, namely, the solvent composition and ion concentrations on the solution's density, on the structural properties, self-diffusion coefficients of the species and the dielectric constant. Moreover, we performed a detailed analysis of the first coordination numbers of the species. Trends of the behaviour of the average number of hydrogen bonds between solvent molecules are evaluated.Comment: 18 pages, 13 figures, 1 tabl

Creation of the universe with a stealth scalar field

The stealth scalar field is a non-trivial configuration without any back-reaction to geometry, which is characteristic for non-minimally coupled scalar fields. Studying the creation probability of the de Sitter universe with a stealth scalar field by the Hartle and Hawking's semi-classical method, we show that the effect of the stealth field can be significant. For the class of scalar fields we consider, creation with a stealth field is possible for a discrete value of the coupling constant and its creation probability is always less than that with a trivial scalar field. However, those creation rates can be almost the same depending on the parameters of the theory.Comment: 7 pages; v2, references added; v3, creation of the open universe adde

The conformal frame freedom in theories of gravitation

It has frequently been claimed in the literature that the classical physical predictions of scalar tensor theories of gravity depend on the conformal frame in which the theory is formulated. We argue that this claim is false, and that all classical physical predictions are conformal-frame invariants. We also respond to criticisms by Vollick [gr-qc/0312041], in which this issue arises, of our recent analysis of the Palatini form of 1/R gravity.Comment: 9 pages, no figures, revtex; final published versio

MWA Tied-Array Processing IV: A Multi-Pixel Beamformer for Pulsar Surveys and Ionospheric Corrected Localisation

The Murchison Widefield Array (MWA) is a low-frequency aperture array capable of high-time and frequency resolution astronomy applications such as pulsar studies. The large field-of-view of the MWA (hundreds of square degrees) can also be exploited to attain fast survey speeds for all-sky pulsar search applications, but to maximise sensitivity requires forming thousands of tied-array beams from each voltage-capture observation. The necessity of using calibration solutions that are separated from the target observation both temporally and spatially makes pulsar observations vulnerable to uncorrected, frequency-dependent positional offsets due to the ionosphere. These offsets may be large enough to move the source away from the centre of the tied-array beam, incurring sensitivity drops of $\sim$30-50\% in Phase II extended array configuration. We analyse these offsets in pulsar observations and develop a method for mitigating them, improving both the source position accuracy and the sensitivity. This analysis prompted the development of a multi-pixel beamforming functionality that can generate dozens of tied-array beams simultaneously, which runs a factor of ten times faster compared to the original single-pixel version. This enhancement makes it feasible to observe multiple pulsars within the vast field of view of the MWA and supports the ongoing large-scale pulsar survey efforts with the MWA. We explore the extent to which ionospheric offset correction will be necessary for the MWA Phase III and the low-frequency Square Kilometre Array (SKA-Low).Comment: 10 pages, 5 figure

First-principle study of excitonic self-trapping in diamond

We present a first-principles study of excitonic self-trapping in diamond. Our calculation provides evidence for self-trapping of the 1s core exciton and gives a coherent interpretation of recent experimental X-ray absorption and emission data. Self-trapping does not occur in the case of a single valence exciton. We predict, however, that self-trapping should occur in the case of a valence biexciton. This process is accompanied by a large local relaxation of the lattice which could be observed experimentally.Comment: 12 pages, RevTex file, 3 Postscript figure

Pre-big bang model has Planck problem

The pre-big bang's kinetic driven inflationary mechanism is not an adequate form of inflation: the Planck length grows more rapidly than the scale factor. In order to explain our large universe, the resulting post-big bang universe requires the same unnatural constants (Planck problem) as those of any other non-inflationary big bang model.Comment: figures not include