4,984 research outputs found
Fluids of platelike particles near a hard wall
Fluids consisting of hard platelike particles near a hard wall are
investigated using density functional theory. The density and orientational
profiles as well as the surface tension and the excess coverage are determined
and compared with those of a fluid of rodlike particles. Even for low densities
slight orientational packing effects are found for the platelet fluid due to
larger intermolecular interactions between platelets as compared with those
between rods. A net depletion of platelets near the wall is exhibited by the
excess coverage, whereas a change of sign of the excess coverage of hard-rod
fluids is found upon increasing the bulk density.Comment: 6 pages, 9 figure
Phase behaviour of charged colloidal sphere dispersions with added polymer chains
We study the stability of mixtures of highly screened repulsive charged
spheres and non-adsorbing ideal polymer chains in a common solvent using free
volume theory. The effective interaction between charged colloids in an aqueous
salt solution is described by a screened-Coulomb pair potential, which
supplements the pure hard-sphere interaction. The ideal polymer chains are
treated as spheres that are excluded from the colloids by a hard-core
interaction, whereas the interaction between two ideal chains is set to zero.
In addition, we investigate the phase behaviour of charged colloid-polymer
mixtures in computer simulations, using the two-body (Asakura-Oosawa pair
potential) approximation to the effective one-component Hamiltonian of the
charged colloids. Both our results obtained from simulations and from free
volume theory show similar trends. We find that the screened-Coulomb repulsion
counteracts the effect of the effective polymer-mediated attraction. For
mixtures of small polymers and relatively large charged colloidal spheres, the
fluid-crystal transition shifts to significantly larger polymer concentrations
with increasing range of the screened-Coulomb repulsion. For relatively large
polymers, the effect of the screened-Coulomb repulsion is weaker. The resulting
fluid-fluid binodal is only slightly shifted towards larger polymer
concentrations upon increasing the range of the screened-Coulomb repulsion. In
conclusion, our results show that the miscibility of dispersions containing
charged colloids and neutral non-adsorbing polymers increases, upon increasing
the range of the screened-Coulomb repulsion, or upon lowering the salt
concentration, especially when the polymers are small compared to the colloids.Comment: 25 pages,13 figures, accepted for publication on J.Phys.:Condens.
Matte
A simple abstraction of arrays and maps by program translation
We present an approach for the static analysis of programs handling arrays,
with a Galois connection between the semantics of the array program and
semantics of purely scalar operations. The simplest way to implement it is by
automatic, syntactic transformation of the array program into a scalar program
followed analysis of the scalar program with any static analysis technique
(abstract interpretation, acceleration, predicate abstraction,.. .). The
scalars invariants thus obtained are translated back onto the original program
as universally quantified array invariants. We illustrate our approach on a
variety of examples, leading to the " Dutch flag " algorithm
Effects of polymer polydispersity on the phase behaviour of colloid-polymer mixtures
We study the equilibrium behaviour of a mixture of monodisperse hard sphere
colloids and polydisperse non-adsorbing polymers at their -point, using
the Asakura-Oosawa model treated within the free-volume approximation. Our
focus is the experimentally relevant scenario where the distribution of polymer
chain lengths across the system is fixed. Phase diagrams are calculated using
the moment free energy method, and we show that the mean polymer size at which gas-liquid phase separation first occurs decreases with increasing
polymer polydispersity . Correspondingly, at fixed mean polymer size,
polydispersity favours gas-liquid coexistence but delays the onset of
fluid-solid separation. On the other hand, we find that systems with different
but the same {\em mass-averaged} polymer chain length have nearly
polydispersity-independent phase diagrams. We conclude with a comparison to
previous calculations for a semi-grandcanonical scenario, where the polymer
chemical potentials are imposed, which predicted that fluid-solid coexistence
was over gas-liquid in some areas of the phase diagram. Our results show that
this somewhat counter-intuitive result arose because the actual polymer size
distribution in the system is shifted to smaller sizes relative to the polymer
reservoir distribution.Comment: Changes in v2: sketch in Figure 1 corrected, other figures improved;
added references to experimental work and discussion of mapping from polymer
chain length to effective radiu
Entropic torque
Quantitative predictions are presented of a depletion-induced torque and
force acting on a single colloidal hard rod immersed in a solvent of hard
spheres close to a planar hard wall. This torque and force, which are entirely
of entropic origin, may play an important role for the key-lock principle,
where a biological macromolecule (the key) is only functional in a particular
orientation with respect to a cavity (the lock)
Open Science in Software Engineering
Open science describes the movement of making any research artefact available
to the public and includes, but is not limited to, open access, open data, and
open source. While open science is becoming generally accepted as a norm in
other scientific disciplines, in software engineering, we are still struggling
in adapting open science to the particularities of our discipline, rendering
progress in our scientific community cumbersome. In this chapter, we reflect
upon the essentials in open science for software engineering including what
open science is, why we should engage in it, and how we should do it. We
particularly draw from our experiences made as conference chairs implementing
open science initiatives and as researchers actively engaging in open science
to critically discuss challenges and pitfalls, and to address more advanced
topics such as how and under which conditions to share preprints, what
infrastructure and licence model to cover, or how do it within the limitations
of different reviewing models, such as double-blind reviewing. Our hope is to
help establishing a common ground and to contribute to make open science a norm
also in software engineering.Comment: Camera-Ready Version of a Chapter published in the book on
Contemporary Empirical Methods in Software Engineering; fixed layout issue
with side-note
Wing shape patterns among urban, suburban, and rural populations of Ischnura elegans (Odonata: Coenagrionidae)
Dragonflies and damselflies (the Odonata) are among the most efficient flying insects. However, fragmentation of the landscape can increase distance between habitats and affect costs of dispersal, thus shaping phenotypic patterns of flight-related traits, such as wing shape, wing loading and wing size. Urban landscapes are highly fragmented, which limits dispersal among aquatic habitats. Hence, strong selective pressures can act upon urban populations in favour of individuals with increased flight performance or may lead to the reduction in dispersal traits. Here, we explore differentiation in morphological flight-related traits among urban, suburban, and rural populations of the damselfly Ischnura elegans, which is one of the most abundant species in both urban and rural ponds in Europe. We sampled 20 sites across Leeds and Bradford, UK, in an urban-to-rural gradient from June to August 2014 and 2015 (Nmales = 201, Nfemales = 119). We compared wing shape among different land use types using geometric morphometrics. Other wing properties analysed were wing aspect ratio, wing loading and wing centroid size. Unexpectedly, no significant effect of urban land use was found on wing shape. However, wing shape differed significantly between males and females. Additionally, females showed significantly larger wing centroid sizes (P < 0.001), increased wing loading (forewings: P = 0.007; hind wings: P = 0.002) and aspect ratio (P < 0.001) compared to males across all land use types. Possible mechanisms driving these results are further discussed
Melting of Hard Cubes
The melting transition of a system of hard cubes is studied numerically both
in the case of freely rotating cubes and when there is a fixed orientation of
the particles (parallel cubes). It is shown that freelly rotating cubes melt
through a first-order transition, whereas parallel cubes have a continuous
transition in which positional order is lost but bond-orientational order
remains finite. This is interpreted in terms of a defect-mediated theory of
meltingComment: 5 pages, 3 figures included. To appear in Phys. Rev.
Generalised quantum weakest preconditions
Generalisation of the quantum weakest precondition result of D'Hondt and
Panangaden is presented. In particular the most general notion of quantum
predicate as positive operator valued measure (POVM) is introduced. The
previously known quantum weakest precondition result has been extended to cover
the case of POVM playing the role of a quantum predicate. Additionally, our
result is valid in infinite dimension case and also holds for a quantum
programs defined as a positive but not necessary completely positive
transformations of a quantum states.Comment: 7 pages, no figures, added references, changed conten
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