Structure and dielectric properties of polar fluids with extended dipoles: results from numerical simulations

The strengths and short-comings of the point-dipole model for polar fluids of spherical molecules are illustrated by considering the physically more relevant case of extended dipoles formed by two opposite charges $\pm q$ separated by a distance $d$ (dipole moment $\mu=q d$). Extensive Molecular Dynamics simulations on a high density dipolar fluid are used to analyse the dependence of the pair structure, dielectric constant \eps and dynamics as a function of the ratio $d/\sigma$ (\sig is the molecular diameter), for a fixed dipole moment $\mu$. The point dipole model is found to agree well with the extended dipole model up to d/\sig \simeq 0.3. Beyond that ratio, \eps shows a non-trivial variation with d/\sig. When d/\sig>0.6, a transition is observed towards a hexagonal columnar phase; the corresponding value of the dipole moment, \mu^2/\sig^3 k T=3, is found to be substantially lower than the value of the point dipole required to drive a similar transition.Comment: 10 pages, 11 figures; Paper submitted to Molecular Physic

Microscopic expressions for the thermodynamic temperature

We show that arbitrary phase space vector fields can be used to generate phase functions whose ensemble averages give the thermodynamic temperature. We describe conditions for the validity of these functions in periodic boundary systems and the Molecular Dynamics (MD) ensemble, and test them with a short-ranged potential MD simulation.Comment: 21 pages, 2 figures, Revtex. Submitted to Phys. Rev.

Modelling bacterial behaviour close to a no-slip plane boundary: the influence of bacterial geometry

We describe a boundary-element method used to model the hydrodynamics of a bacterium propelled by a single helical flagellum. Using this model, we optimize the power efficiency of swimming with respect to cell body and flagellum geometrical parameters, and find that optima for swimming in unbounded fluid and near a no-slip plane boundary are nearly indistinguishable. We also consider the novel optimization objective of torque efficiency and find a very different optimal shape. Excluding effects such as Brownian motion and electrostatic interactions, it is demonstrated that hydrodynamic forces may trap the bacterium in a stable, circular orbit near the boundary, leading to the empirically observable surface accumulation of bacteria. Furthermore, the details and even the existence of this stable orbit depend on geometrical parameters of the bacterium, as described in this article. These results shed some light on the phenomenon of surface accumulation of micro-organisms and offer hydrodynamic explanations as to why some bacteria may accumulate more readily than others based on morphology

Infrared Quasi Fixed Points and Mass Predictions in the MSSM II: Large tan(beta) Scenario

We consider the infrared quasi fixed point solutions of the renormalization group equations for the Yukawa couplings and soft supersymmetry breaking parameters in the MSSM in the \underline{large $\tan\beta$} regime. The existence of IR quasi fixed points together with the values of gauge couplings, third generation quarks, lepton and Z-boson masses allows one to predict masses of the Higgs bosons and SUSY particles as functions of the only free parameter, $m_{1/2}$, or the gluino mass. The lightest Higgs boson mass for $M_{SUSY} \approx 1$ TeV is found to be $m_h=128.2-0.4-7.1 \pm 5$ GeV for $\mu>0$ and $m_h=120.6-0.1-3.8 \pm 5$ GeV for $\mu<0$.Comment: 15 pages, LateX file with 4 eps figures, corrected numbers, new column in table, last versio

Limit cycles in the presence of convection, a travelling wave analysis

We consider a diffusion model with limit cycle reaction functions, in the presence of convection. We select a set of functions derived from a realistic reaction model: the Schnakenberg equations. This resultant form is unsymmetrical. We find a transformation which maps the irregular equations into model form. Next we transform the dependent variables into polar form. From here, a travelling wave analysis is performed on the radial variable. Results are complex, but we make some simple estimates. We carry out numerical experiments to test our analysis. An initial `knock' starts the propagation of pattern. The speed of the travelling wave is not quite as expected. We investigate further. The system demonstrates distinctly different behaviour to the left and the right. We explain how this phenomenon occurs by examining the underlying behaviour.Comment: 20 pages, 5 figure

Ornstein-Zernike equation and Percus-Yevick theory for molecular crystals

We derive the Ornstein-Zernike equation for molecular crystals of axially symmetric particles and apply the Percus-Yevick approximation to this system. The one-particle orientational distribution function has a nontrivial dependence on the orientation and is needed as an input. Despite some differences, the Ornstein-Zernike equation for molecular crystals has a similar structure as for liquids. We solve both equations for hard ellipsoids on a sc lattice. Compared to molecular liquids, the tensorial orientational correlators exhibit less structure. However, depending on the lengths a and b of the rotation axis and the perpendicular axes of the ellipsoids, different behavior is found. For oblate and prolate ellipsoids with b >= 0.35 (units of the lattice constant), damped oscillations in distinct directions of direct space occur for some correlators. They manifest themselves in some correlators in reciprocal space as a maximum at the Brillouin zone edge, accompanied by maxima at the zone center for other correlators. The oscillations indicate alternating orientational fluctuations, while the maxima at the zone center originate from nematic-like orientational fluctuations. For a <= 2.5 and b <= 0.35, the oscillations are weaker. For a >= 3.0 and b <= 0.35, no oscillations occur any longer. For many of the correlators in reciprocal space, an increase of a at fixed b leads to a divergence at the zone center q = 0, consistent with nematic-like long range fluctuations, and for some oblate and prolate systems with b ~< 1.0 a simultaneous tendency to divergence of few other correlators at the zone edge is observed. Comparison with correlators from MC simulations shows satisfactory agreement. We also obtain a phase boundary for order-disorder transitions.Comment: 20 pages, 13 figures, submitted to Phys. Rev.

Entropy-induced smectic phases in rod-coil copolymers

We present a self-consistent field theory (SCFT) of semiflexible (wormlike) diblock copolymers, each consisting of a rigid and a flexible part. The segments of the polymers are otherwise identical, in particular with regard to their interactions, which are taken to be of an Onsager excluded-volume type. The theory is developed in a general three-dimensional form, as well as in a simpler one-dimensional version. Using the latter, we demonstrate that the theory predicts the formation of a partial-bilayer smectic-A phase in this system, as shown by profiles of the local density and orientational distribution functions. The phase diagram of the system, which includes the isotropic and nematic phases, is obtained in terms of the mean density and rigid-rod fraction of each molecule. The nematic-smectic transition is found to be second order. Since the smectic phase is induced solely by the difference in the rigidities, the onset of smectic ordering is shown to be an entropic effect and therefore does not have to rely on additional Flory-Huggins-type repulsive interactions between unlike chain segments. These findings are compared with other recent SCFT studies of similar copolymer models and with computer simulations of several molecular models.Comment: 13 pages, 8 figure

What motivates academic dishonesty in students? A reinforcement sensitivity theory explanation

BACKGROUND: Academic dishonesty (AD) is an increasing challenge for universities worldwide. The rise of the Internet has further increased opportunities for students to cheat. AIMS: In this study, we investigate the role of personality traits defined within Reinforcement Sensitivity Theory (RST) as potential determinants of AD. RST defines behaviour as resulting from approach (Reward Interest/reactivity, goal-drive, and Impulsivity) and avoidance (behavioural inhibition and Fight-Flight-Freeze) motivations. We further consider the role of deep, surface, or achieving study motivations in mediating/moderating the relationship between personality and AD. SAMPLE: A sample of UK undergraduates (N = 240). METHOD: All participants completed the RST Personality Questionnaire, a short-form version of the study process questionnaire and a measure of engagement in AD, its perceived prevalence, and seriousness. RESULTS: Results showed that RST traits account for additional variance in AD. Mediation analysis suggested that GDP predicted dishonesty indirectly via a surface study approach while the indirect effect via deep study processes suggested dishonesty was not likely. Likelihood of engagement in AD was positively associated with personality traits reflecting Impulsivity and Fight-Flight-Freeze behaviours. Surface study motivation moderated the Impulsivity effect and achieving motivation the FFFS effect such that cheating was even more likely when high levels of these processes were used. CONCLUSIONS: The findings suggest that motivational personality traits defined within RST can explain variance in the likelihood of engaging in dishonest academic behaviours

OH Zeeman Magnetic Field Detections Toward Five Supernova Remnants Using the VLA

We have observed the OH (1720 MHz) line in five galactic SNRs with the VLA to measure their magnetic field strengths using the Zeeman effect. We detected all 12 of the bright ($S_{\nu} > 200$ mJy) OH (1720 MHz) masers previously detected by Frail et al. (1996) and Green et al. (1997) and measured significant magnetic fields (i.e. $> 3\sigma$) in ten of them. Assuming that the ``thermal'' Zeeman equation can be used to estimate $\mid\vec{B}\mid$ for OH masers, our estimated fields range from 0.2 to 2 mG. These magnetic field strengths are consistent with the hypothesis that ambient molecular cloud magnetic fields are compressed via the SNR shock to the observed values. Magnetic fields of this magnitude exert a considerable influence on the properties of the cloud with the magnetic pressures ($10^{-7} - 10^{-9}$ erg cm$^{-3}$) exceeding the pressure in the ISM or even the thermal pressure of the hot gas interior to the remnant. This study brings the number of galactic SNRs with OH (1720 MHz) Zeeman detections to ten.Comment: 23 pages, 14 figures, accepted to ApJ, for higher resolution images of Figs 4,11, and 12 see http://www.pa.uky.edu/~brogan/brog_publ.htm