937 research outputs found
Equation of State for Parallel Rigid Spherocylinders
The pair distribution function of monodisperse rigid spherocylinders is
calculated by Shinomoto's method, which was originally proposed for hard
spheres. The equation of state is derived by two different routes: Shinomoto's
original route, in which a hard wall is introduced to estimate the pressure
exerted on it, and the virial route. The pressure from Shinomoto's original
route is valid only when the length-to-width ratio is less than or equal to
0.25 (i.e., when the spherocylinders are nearly spherical). The virial equation
of state is shown to agree very well with the results of numerical simulations
of spherocylinders with length-to-width ratio greater than or equal to 2
Towards a machine-independent transput section
If the transput section of an ALGOL-68 compiler is to be portable, it must be described in such a way that it is clear which aspects are machine-dependent, and which are not. There should be a clear set of primitives underlying the transput. In this report, a description is proposed which can really be used as an implementation model: the transput is described in pseudo-ALGOL 68, except for the underlying primitives, whose semantics are given in some kind of formalized English. The state of this model is by no means definitive, but may serve as a start for further discussion
Micro-evolutionary diversification among Indian Ocean parrots: temporal and spatial changes in phylogenetic diversity as a consequence of extinction and invasion
Almost 90% of global bird extinctions have occurred on islands. The loss of endemic spe- cies from island systems can dramatically alter evolutionary trajectories of insular species biodiversity, resulting in a loss of evolutionary diversity important for species adaptation to changing environments. The Western Indian Ocean islands have been the scene of evolution for a large number of endemic parrots. Since their discovery in the 16th cen- tury, many of these parrots have become extinct or have declined in numbers. Alongside the extinction of species, a number of the Indian Ocean islands have experienced coloni- zation by highly invasive parrots, such as the Ring-necked Parakeet Psittacula krameri. Such extinctions and invasions can, on an evolutionary timescale, drive changes in spe- cies composition, genetic diversity and turnover in phylogenetic diversity, all of which can have important impacts on species potential for adaptation to changing environmen- tal and climatic conditions. Using mtDNA cytochrome b data, we resolve the taxonomic placement of three extinct Indian Ocean parrots: the Rodrigues Psittacula exsul, Sey- chelles Psittacula wardi and Reunion Parakeets Psittacula eques. This case study quantifies how the extinction of these species has resulted in lost historical endemic phylogenetic diversity and reduced levels of species richness, and illustrates how it is being replaced by non-endemic invasive forms such as the Ring-necked Parakeet. Finally, we use our phylogenetic framework to identify and recommend a number of phylogenetically appro- priate ecological replacements for the extinct parrots. Such replacements may be intro- duced once invasive forms have been cleared, to rejuvenate ecosystem function and restore lost phylogenetic diversity
Neutron scattering and molecular correlations in a supercooled liquid
We show that the intermediate scattering function for neutron
scattering (ns) can be expanded naturely with respect to a set of molecular
correlation functions that give a complete description of the translational and
orientational two-point correlations in the liquid. The general properties of
this expansion are discussed with special focus on the -dependence and hints
for a (partial) determination of the molecular correlation functions from
neutron scattering results are given. The resulting representation of the
static structure factor is studied in detail for a model system using
data from a molecular dynamics simulation of a supercooled liquid of rigid
diatomic molecules. The comparison between the exact result for and
different approximations that result from a truncation of the series
representation demonstrates its good convergence for the given model system. On
the other hand it shows explicitly that the coupling between translational
(TDOF) and orientational degrees of freedom (ODOF) of each molecule and
rotational motion of different molecules can not be neglected in the
supercooled regime.Further we report the existence of a prepeak in the
ns-static structure factor of the examined fragile glassformer, demonstrating
that prepeaks can occur even in the most simple molecular liquids. Besides
examining the dependence of the prepeak on the scattering length and the
temperature we use the expansion of into molecular correlation
functions to point out intermediate range orientational order as its principle
origin.Comment: 13 pages, 7 figure
A Simple Shell Model for Quantum Dots in a Tilted Magnetic Field
A model for quantum dots is proposed, in which the motion of a few electrons
in a three-dimensional harmonic oscillator potential under the influence of a
homogeneous magnetic field of arbitrary direction is studied. The spectrum and
the wave functions are obtained by solving the classical problem. The ground
state of the Fermi-system is obtained by minimizing the total energy with
regard to the confining frequencies. From this a dependence of the equilibrium
shape of the quantum dot on the electron number, the magnetic field parameters
and the slab thickness is found.Comment: 15 pages (Latex), 3 epsi figures, to appear in PhysRev B, 55 Nr. 20
(1997
Exact/heuristic hybrids using rVNS and hyperheuristics for workforce scheduling
In this paper we study a complex real-world workforce scheduling
problem. We propose a method of splitting the problem into smaller parts and
solving each part using exhaustive search. These smaller parts comprise a
combination of choosing a method to select a task to be scheduled and a method
to allocate resources, including time, to the selected task. We use reduced
Variable Neighbourhood Search (rVNS) and hyperheuristic approaches to
decide which sub problems to tackle. The resulting methods are compared to
local search and Genetic Algorithm approaches. Parallelisation is used to
perform nearly one CPU-year of experiments. The results show that the new
methods can produce results fitter than the Genetic Algorithm in less time and
that they are far superior to any of their component techniques. The method
used to split up the problem is generalisable and could be applied to a wide
range of optimisation problems
The Persistence Length of a Strongly Charged, Rod-like, Polyelectrolyte in the Presence of Salt
The persistence length of a single, intrinsically rigid polyelectrolyte
chain, above the Manning condensation threshold is investigated theoretically
in presence of added salt. Using a loop expansion method, the partition
function is consistently calculated, taking into account corrections to
mean-field theory. Within a mean-field approximation, the well-known results of
Odijk, Skolnick and Fixman are reproduced. Beyond mean-field, it is found that
density correlations between counterions and thermal fluctuations reduce the
stiffness of the chain, indicating an effective attraction between monomers for
highly charged chains and multivalent counterions. This attraction results in a
possible mechanical instability (collapse), alluding to the phenomenon of DNA
condensation. In addition, we find that more counterions condense on slightly
bent conformations of the chain than predicted by the Manning model for the
case of an infinite cylinder. Finally, our results are compared with previous
models and experiments.Comment: 13 pages, 2 ps figure
Effect of Polydispersity and Anisotropy in Colloidal and Protein Solutions: an Integral Equation Approach
Application of integral equation theory to complex fluids is reviewed, with
particular emphasis to the effects of polydispersity and anisotropy on their
structural and thermodynamic properties. Both analytical and numerical
solutions of integral equations are discussed within the context of a set of
minimal potential models that have been widely used in the literature. While
other popular theoretical tools, such as numerical simulations and density
functional theory, are superior for quantitative and accurate predictions, we
argue that integral equation theory still provides, as in simple fluids, an
invaluable technique that is able to capture the main essential features of a
complex system, at a much lower computational cost. In addition, it can provide
a detailed description of the angular dependence in arbitrary frame, unlike
numerical simulations where this information is frequently hampered by
insufficient statistics. Applications to colloidal mixtures, globular proteins
and patchy colloids are discussed, within a unified framework.Comment: 17 pages, 7 figures, to appear in Interdiscip. Sci. Comput. Life Sci.
(2011), special issue dedicated to Prof. Lesser Blu
Light propagation in statistically homogeneous and isotropic universes with general matter content
We derive the relationship of the redshift and the angular diameter distance
to the average expansion rate for universes which are statistically homogeneous
and isotropic and where the distribution evolves slowly, but which have
otherwise arbitrary geometry and matter content. The relevant average expansion
rate is selected by the observable redshift and the assumed symmetry properties
of the spacetime. We show why light deflection and shear remain small. We write
down the evolution equations for the average expansion rate and discuss the
validity of the dust approximation.Comment: 42 pages, no figures. v2: Corrected one detail about the angular
diameter distance and two typos. No change in result
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