Comment on `Universal relation between the Kolmogorov-Sinai entropy and the thermodynamic entropy in simple liquids'

The intriguing relations between Kolmogorov-Sinai entropy and self diffusion coefficients and the excess (thermodynamic) entropy found by Dzugutov and collaborators do not appear to hold for hard sphere and hard disks systems.Comment: 1 page revte

Affinities of the family Sollasellidae (Porifera, Demospongiae). I. Morphological evidence

Comparison of Sollasella digitata Lendenfeld, 1888, up until the present assigned to its own family Sollasellidae Lendenfeld, 1887 in the order Hadromerida, and Raspailopsis cervicornis Burton, 1959, assigned to Raspailiidae Nardo, 1833 in the order Poecilosclerida, leads to the conclusion that both should be considered congeneric and are best assigned to a single genus Sollasella. This conclusion is based on examination of habit and skeletal characters of the type material of S. digitata and both type and freshly collected material of S. cervicornis. The conclusion is strengthened by the discovery of a new species, Sollasella moretonensis n.sp. collected in North Australia (primarily in the northeastern coast, but also an isolated record from the northwestern Australian coast), which possesses in addition to the characteristic surface pattern and skeletal structure, genuine echinating acanthostyles. The redefined genus Sollasella shares axial / extra-axial arrangement of the skeleton, special surface brushes of oxeas surrounding a single protruding style, and vestigial occurrence of acanthostyles with many Raspailia s.l. Nevertheless, it is retained as a separate genus, on account of its peculiar polygonal arrangement of surface pores. The distribution of the genus is disjunctive including both (southeast, northeast and northwest) Australian and Western Indian Ocean localities, but so far no intermediate records. Based on this morphological evidence, it is proposed – pending publication of corroborating molecular evidence to be presented in a follow-up study – to reassign Sollasella and the family Sollasellidae to the poecilosclerid family Raspailiidae

Transport coefficients for dense hard-disk systems

A study of the transport coefficients of a system of elastic hard disks, based on the use of Helfand-Einstein expressions is reported. The self-diffusion, the viscosity, and the heat conductivity are examined with averaging techniques especially appropriate for the use in event-driven molecular dynamics algorithms with periodic boundary conditions. The density and size dependence of the results is analyzed, and comparison with the predictions from Enskog's theory is carried out. In particular, the behavior of the transport coefficients in the vicinity of the fluid-solid transition is investigated and a striking power law divergence of the viscosity in this region is obtained, while all other examined transport coefficients show a drop in that density range.Comment: submitted to PR

Mode-coupling theory of the stress-tensor autocorrelation function of a dense binary fluid mixture

We present a generalized mode-coupling theory for a dense binary fluid mixture. The theory is used to calculate molecular-scale renormalizations to the stress-tensor autocorrelation function (STAF) and to the long-wavelength zero-frequency shear viscosity. As in the case of a dense simple fluid, we find that the STAF appears to decay as $t^{-3/2}$ over an intermediate range of time. The coefficient of this long-time tail is more than two orders of magnitude larger than that obtained from conventional mode-coupling theory. Our study focuses on the effect of compositional disorder on the decay of the STAF in a dense mixture.Comment: Published; withdrawn since ordering in the archive gives misleading impression of new publicatio

Discontinuous Molecular Dynamics for Semi-Flexible and Rigid Bodies

A general framework for performing event-driven simulations of systems with semi-flexible or rigid bodies interacting under impulsive torques and forces is outlined. Two different approaches are presented. In the first, the dynamics and interaction rules are derived from Lagrangian mechanics in the presence of constraints. This approach is most suitable when the body is composed of relatively few point masses or is semi-flexible. In the second method, the equations of rigid bodies are used to derive explicit analytical expressions for the free evolution of arbitrary rigid molecules and to construct a simple scheme for computing interaction rules. Efficient algorithms for the search for the times of interaction events are designed in this context, and the handling of missed interaction events is discussed.Comment: 16 pages, double column revte

Short-wavelength collective modes in a binary hard-sphere mixture

We use hard-sphere generalized hydrodynamic equations to discuss the extended hydrodynamic modes of a binary mixture. The theory presented here is analytic and it provides us with a simple description of the collective excitations of a dense binary mixture at molecular length scales. The behavior we predict is in qualitative agreement with molecular-dynamics results for soft-sphere mixtures. This study provides some insight into the role of compositional disorder in forming glassy configurations.Comment: Published; withdrawn since already published. Ordering in the archive gives misleading impression of new publicatio

Structure and Dynamics of Liquid Iron under Earth's Core Conditions

First-principles molecular dynamics simulations based on density-functional theory and the projector augmented wave (PAW) technique have been used to study the structural and dynamical properties of liquid iron under Earth's core conditions. As evidence for the accuracy of the techniques, we present PAW results for a range of solid-state properties of low- and high-pressure iron, and compare them with experimental values and the results of other first-principles calculations. In the liquid-state simulations, we address particular effort to the study of finite-size effects, Brillouin-zone sampling and other sources of technical error. Results for the radial distribution function, the diffusion coefficient and the shear viscosity are presented for a wide range of thermodynamic states relevant to the Earth's core. Throughout this range, liquid iron is a close-packed simple liquid with a diffusion coefficient and viscosity similar to those of typical simple liquids under ambient conditions.Comment: 13 pages, 8 figure

Transport Far From Equilibrium --- Uniform Shear Flow

The BGK model kinetic equation is applied to spatially inhomogeneous states near steady uniform shear flow. The shear rate of the reference steady state can be large so the states considered include those very far from equilibrium. The single particle distribution function is calculated exactly to first order in the deviations of the hydrodynamic field gradients from their values in the reference state. The corresponding non-linear hydrodynamic equaitons are obtained and the set of transport coefficients are identified as explicit functions of the shear rate. The spectrum of the linear hydrodynamic equation is studied in detail and qualitative differences from the spectrum for equilibrium fluctuations are discussed. Conditions for instabilities at long wavelengths are identified and disccused.Comment: 32 pages, 1 figure, RevTeX, submitted to Phys. Rev.

Long Wavelength Instability for Uniform Shear Flow

Uniform Shear Flow is a prototype nonequilibrium state admitting detailed study at both the macroscopic and microscopic levels via theory and computer simulation. It is shown that the hydrodynamic equations for this state have a long wavelength instability. This result is obtained first from the Navier-Stokes equations and shown to apply at both low and high densities. Next, higher order rheological effects are included using a model kinetic theory. The results are compared favorably to those from Monte Carlo simulation.Comment: 12 pages, including 2 figure

Guide To Popular Diets, Food Choices, And Their Health Outcome

Integrative medicine is becoming increasingly important for a patient population afflicted with preventable illnesses such as cardiometabolic disease. Diet and nutrition are an under-tapped opportunity in health care for improving wellness and patient-centered health outcomes. Key nutritional principles are reviewed for alternate dietary strategies patients choose from in pursuit of healthy living or to alleviate chronic illness. Whole food eating plans are discussed including plant-based, Mediterranean, Paleo, and ketogenic diets as well as the specific carbohydrate and low FODMAP diets for colitis and irritable bowel syndrome. Opposed to the traditional categorization of diets by macronutrient composition, it is more useful to discuss the nutritional quality of specific foods and available micronutrients. Cardiovascular and other risk factors are reviewed for foods and food combinations, supporting a diet rich in vegetables, fruit, nuts/seeds, and seafood omega-3 fats.Nutrition and lifestyle education is needed to counsel patients on the best dietary strategy that ensures their adherence and improves long-term health outcomes