Balancing Local Order and Long-Ranged Interactions in the Molecular Theory of Liquid Water

A molecular theory of liquid water is identified and studied on the basis of computer simulation of the TIP3P model of liquid water. This theory would be exact for models of liquid water in which the intermolecular interactions vanish outside a finite spatial range, and therefore provides a precise analysis tool for investigating the effects of longer-ranged intermolecular interactions. We show how local order can be introduced through quasi-chemical theory. Long-ranged interactions are characterized generally by a conditional distribution of binding energies, and this formulation is interpreted as a regularization of the primitive statistical thermodynamic problem. These binding-energy distributions for liquid water are observed to be unimodal. The gaussian approximation proposed is remarkably successful in predicting the Gibbs free energy and the molar entropy of liquid water, as judged by comparison with numerically exact results. The remaining discrepancies are subtle quantitative problems that do have significant consequences for the thermodynamic properties that distinguish water from many other liquids. The basic subtlety of liquid water is found then in the competition of several effects which must be quantitatively balanced for realistic results.Comment: 8 pages, 6 figure

Dwelling or duelling in possibilities: how (Ir)relevant are African feminisms?

In its four decades of rebirth, the world has debated (enough) the relevance of feminism, but there is, surprisingly, refreshingly emergent dimensions at the turn of the twenty-first century: feminisms from feminism flowing from Africa. The theories or models of Womanism, Stiwanism, Motherism, and Nego-feminism, with their underlying assumptions and values,were all born at various end times of the twentieth century with a common objective of seeking gender justice. This paper examines the crucial question of how relevant these models are to the global practice of woman as human. What propels their separateness, and why didn‘t they combine to make a more solid stance on the plight of the African woman? In fact, why can‘t they simply identify with the general feminism? Put differently, are they dwelling in the same terrain or are they separable and easily recognisable discourses duelling in possibilities for the woman in Africa in particular and the woman of the globe in general? More specifically, how (ir)relevant are African feminisms?In trying to answer these questions, the paper presents a critical review of the afore-mentioned theories of African feminisms with the goal of providing readers an understanding of what is new in each model, and what is similar or different between the various strands of African feminisms. The paper concludes with the author‘s analysis of the model that holds the best promise or possibilities for African feminism to achieve its seemingly elusive goal of gender equality

Research in LMSS propagation

The Virginia Tech Satellite Communications Group has participated in the Land Mobile Satellite System (LMSS) program through JPL sponsorship since 1985. Involvement has mainly been in modeling and simulation of propagation characteristics and effects. Models developed to predict cummulative fade distributions for fading LMSS signals include LMSSMOD and the Simple Models which approximate LMSSMOD. Models to predict the mean and standard deviation of signal attenuation through roadside vegetation, namely the Average Path Model, were developed. In the area of simulation, efforts have centered around the development of a software simulator that uses data bases derived from experimental data to generate simulated data with arbitrary statistical behavior. This work has progressed to the development of an integrated analysis and simulation package, LIPS. The basic theory and results for the models and simulator have been previously documented in reports and papers. All LMSS activities are summarized and details of this year's efforts are given

Final state interactions in two-particle interferometry

We reconsider the influence of two-particle final state interactions (FSI) on two-particle Bose-Einstein interferometry. We concentrate in particular on the problem of particle emission at different times. Assuming chaoticity of the source, we derive a new general expression for the symmetrized two-particle cross section. We discuss the approximations needed to derive from the general result the Koonin-Pratt formula. Introducing a less stringent version of the so-called smoothness approximation we also derive a more accurate formula. It can be implemented into classical event generators and allows to calculate FSI corrected two-particle correlation functions via modified Bose-Einstein "weights".Comment: 12 pages RevTeX, 2 ps-figures included, submitted to Phys. Rev.

Molecular Realism in Default Models for Information Theories of Hydrophobic Effects

This letter considers several physical arguments about contributions to hydrophobic hydration of inert gases, constructs default models to test them within information theories, and gives information theory predictions using those default models with moment information drawn from simulation of liquid water. Tested physical features include: packing or steric effects, the role of attractive forces that lower the solvent pressure, and the roughly tetrahedral coordination of water molecules in liquid water. Packing effects (hard sphere default model) and packing effects plus attractive forces (Lennard-Jones default model) are ineffective in improving the prediction of hydrophobic hydration free energies of inert gases over the previously used Gibbs and flat default models. However, a conceptually simple cluster Poisson model that incorporates tetrahedral coordination structure in the default model is one of the better performers for these predictions. These results provide a partial rationalization of the remarkable performance of the flat default model with two moments in previous applications. The cluster Poisson default model thus will be the subject of further refinement.Comment: 5 pages including 3 figure