5,405 research outputs found
Accurate effective pair potentials for polymer solutions
Dilute or semi-dilute solutions of non-intersecting self-avoiding walk (SAW)
polymer chains are mapped onto a fluid of ``soft'' particles interacting via an
effective pair potential between their centers of mass. This mapping is
achieved by inverting the pair distribution function of the centers of mass of
the original polymer chains, using integral equation techniques from the theory
of simple fluids. The resulting effective pair potential is finite at all
distances, has a range of the order of the radius of gyration, and turns out to
be only moderately concentration-dependent. The dependence of the effective
potential on polymer length is analyzed in an effort to extract the scaling
limit. The effective potential is used to derive the osmotic equation of state,
which is compared to simulation data for the full SAW segment model, and to the
predictions of renormalization group calculations. A similar inversion
procedure is used to derive an effective wall-polymer potential from the center
of mass density profiles near the wall, obtained from simulations of the full
polymer segment model. The resulting wall-polymer potential turns out to depend
strongly on bulk polymer concentration when polymer-polymer correlations are
taken into account, leading to a considerable enhancement of the effective
repulsion with increasing concentration. The effective polymer-polymer and
wall-polymer potentials are combined to calculate the depletion interaction
induced by SAW polymers between two walls. The calculated depletion interaction
agrees well with the ``exact'' results from much more computer-intensive direct
simulation of the full polymer-segment model, and clearly illustrates the
inadequacy -- in the semi-dilute regime -- of the standard Asakura-Oosawa
approximation based on the assumption of non-interacting polymer coils.Comment: 18 pages, 24 figures, ReVTeX, submitted to J. Chem. Phy
Can Polymer Coils be modeled as "Soft Colloids"?
We map dilute or semi-dilute solutions of non-intersecting polymer chains
onto a fluid of ``soft'' particles interacting via a concentration dependent
effective pair potential, by inverting the pair distribution function of the
centers of mass of the initial polymer chains. A similar inversion is used to
derive an effective wall-polymer potential; these potentials are combined to
successfully reproduce the calculated exact depletion interaction induced by
non-intersecting polymers between two walls. The mapping opens up the
possibility of large-scale simulations of polymer solutions in complex
geometries.Comment: 4 pages, 3 figures ReVTeX[epsfig,multicol,amssymb] references update
Anharmonic magnetic deformation of self-assembled molecular nanocapsules
High magnetic fields were used to deform spherical nanocapsules,
self-assembled from bola-amphiphilic sexithiophene molecules. At low fields the
deformation -- measured through linear birefringence -- scales quadratically
with the capsule radius and with the magnetic field strength. These data
confirm a long standing theoretical prediction (W. Helfrich, Phys. Lett. {\bf
43A}, 409 (1973)), and permits the determination of the bending rigidity of the
capsules as (2.60.8) J. At high fields, an enhanced
rigidity is found which cannot be explained within the Helfrich model. We
propose a complete form of the free energy functional that accounts for this
behaviour, and allows discussion of the formation and stability of nanocapsules
in solution.Comment: 4 pages, 3 figures, accepted in Phys. Rev. Let
Effect of root spacing on interpretation of blade penetration tests-full-scale physical modelling
The spatial distribution of plant roots is an important parameter when the stability of vegetated slopes is to be assessed. Previous studies in both laboratory and field conditions have shown that a penetrometer adapted with a blade-shaped tip can be used to detect roots from sudden drops in penetrometer resistance. Such drops can be related to root properties including diameter, stiffness and strength using simpleWinkler foundation models, thereby providing a field instrument for rapid quantification of root properties and distribution. While this approach has proved useful for measuring single widely-spaced roots, it has not previously been determined how the penetrometer response changes as a result of roots being in close proximity. Therefore in this study 1-g physical modelling (at 1:1 scale) was conducted to study the effect of vertical root spacing using horizontal, straight 3D-printed root analogues. Results showthatwhen roots are closely spaced, there is significant interaction between them, resulting in higher apparent root displacements to failure and an increased amount of energy being dissipated. This preliminary work shows that the interpretive models used to analyse the penetrometer trace require further development to account for root-soil-root interactions in densely rooted soil.</p
Comparison of new <i>in situ </i>root-reinforcement measuring devices to existing techniques
Mechanical root-reinforcement is difficult to quantify. Existing in-situ methods are cumbersome, while modelling requires parameters which are difficult to acquire. In this paper, two new in-situ measurement devices are introduced ('cork screw' and 'pin vane') and their performance is compared to field vane and laboratory direct shear strength measurements in fallow and rooted soil. Both new methods show a close correlation with field vane readings in fallow soil. Tests in reinforced soil show that both new methods can be installed without significant root disturbance. The simplicity of both new methods allows for practical in-situ use and both can be used to study soil stress-strain behaviour, thus addressing some major limitations in existing methodologies for characterising rooted soil.</p
Stability of Colloidal Quasicrystals
Freezing of charge-stabilized colloidal suspensions and relative stabilities
of crystals and quasicrystals are studied using thermodynamic perturbation
theory. Macroion interactions are modelled by effective pair potentials
combining electrostatic repulsion with polymer-depletion or van der Waals
attraction. Comparing free energies -- counterion terms included -- for
elementary crystals and rational approximants to icosahedral quasicrystals,
parameters are identified for which one-component quasicrystals are stabilized
by a compromise between packing entropy and cohesive energy.Comment: 6 pages, 4 figure
Optical pumping of trapped neutral molecules by blackbody radiation
Optical pumping by blackbody radiation is a feature shared by all polar
molecules and fundamentally limits the time that these molecules can be kept in
a single quantum state in a trap. To demonstrate and quantify this, we have
monitored the optical pumping of electrostatically trapped OH and OD radicals
by room-temperature blackbody radiation. Transfer of these molecules to
rotationally excited states by blackbody radiation at 295 K limits the
trapping time for OH and OD in the state to
2.8 s and 7.1 s, respectively.Comment: corrected small mistakes; added journal reference
The impact of influenza vaccination on infection, hospitalisation and mortality in the Netherlands between 2003 and 2015.
Influenza epidemics annually cause substantial morbidity and mortality. For this reason, vaccination is offered yearly to persons with an elevated risk for complications. Assessments of the impact of vaccination are, however, hampered by year-to-year variation in epidemic size and vaccine effectiveness. We estimate the impact of the current vaccination programme comparing simulations with vaccination to counterfactual simulations without vaccination. The simulations rely on an age- and risk-structured transmission model that tracks the build-up and loss of immunity over successive seasons, and that allows the vaccine match to vary between seasons. The model parameters are estimated with a particle Monte Carlo method and approximate Bayesian computation, using epidemiological data on vaccine effectiveness and epidemic size in the Netherlands over a period of 11 years. The number of infections, hospitalisations and deaths vary greatly between years because waning of immunity and vaccine match may differ every season, which is in line with observed variation in influenza epidemic sizes. At an overall coverage of 21%, vaccination has averted on average 13% (7.2-19%, 95% range) of infections, 24% (16-36%) of hospitalisations, and 35% (16-50%) of deaths. This suggests that vaccination is mainly effective in protecting vaccinees from infection rather than reducing transmission. As the Dutch population continues to grow and age, the vaccination programme is projected (up to 2025) to gain in impact, despite a decreasing infection attack rate
Collisional and thermal ionization of sodium Rydberg atoms I. Experiment for nS and nD atoms with n=8-20
Collisional and thermal ionization of sodium nS and nD Rydberg atoms with
n=8-20 has been studied. The experiments were performed using a two-step pulsed
laser excitation in an effusive atomic beam at atom density of about 2 10^{10}
cm^{-3}. Molecular and atomic ions from associative, Penning, and thermal
ionization processes were detected. It has been found that the atomic ions were
created mainly due to photoionization of Rydberg atoms by photons of blackbody
radiation at the ambient temperature of 300K. Blackbody ionization rates and
effective lifetimes of Rydberg states of interest were determined. The
molecular ions were found to be from associative ionization in Na(nL)+Na(3S)
collisions. Rate constants of associative ionization have been measured using
an original method based on relative measurements of Na_{2}^{+} and Na^{+} ion
signals.Comment: 23 pages, 10 figure
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