No abstract

Single-chain simulations of densely branched comb polymers, or "molecular bottle-brushes" with side-chains attached to every (or every second) backbone monomer, were carried out by off-lattice Monte Carlo technique. A coarse-grained model, described by hard spheres connected by harmonic springs, was employed. Backbone lengths of up to 100 units were considered, and compared with the corresponding linear chains. The backbone molecular size was investigated as a function of its length at fixed arm size, and as a function of the arm size at fixed backbone length. The apparent swelling exponents obtained by a power-law fit were found to be larger than those for the corresponding linear polymers, indicative of stiffening of the comb backbone. The probability distribution function for the backbone end-to-end distance was also investigated for different backbone lengths and arm sizes. Analysis of this function yielded the critical exponents, which revealed an increase in the swelling exponent consistent with values found from the molecular size. The apparent persistence length of the backbone was also determined, and was found to increase with increasing branching density. Finally, the static structure factors of the whole bottle-brushes and of their backbones are discussed, which provides another consistent estimate of the swelling exponents.

Conformations of isolated homo-dendrimers of G = 1 − 7 generations with D = 1 − 6 spacers have been studied in the good and poor solvents, as well as across the coil-to-globule transition, by means of a version of the Gaussian self-consistent (GSC) method and Monte Carlo (MC) simulation in continuous space based on the same coarse-grained model. The latter includes harmonic springs between connected monomers and the pair-wise Lennard-Jones potential with a hard core repulsion. The scaling law for the dendrimer size, the degrees of bond stretching and steric congestion, as well as the radial density, static structure factor, and asphericity have been analysed. It is also confirmed that while smaller dendrimers have a dense core, larger ones develop a hollow domain at some separation from the centre.PACS numbers: 36.20.Ey, 61.25.Hq

Single-chain Monte Carlo simulations were carried out, in continuous space, of polymers with various topologies (branched and linear) in the good solvent. Using an inherently flexible beadand-spring model, the backbone of linear polymers with either linear or dendritic side-groups attached was found to be elongated, indicative of an induced stiffness. This "topological stiffness" was compared to the "intrinsic stiffness" of semiflexible linear polymers in terms of various observables. Semiflexible comb polymers, which contained both types of stiffness, were also considered.

In order to evaluate how much Total Solar Irradiance (TSI) has influenced Northern Hemisphere surface air temperature trends, it is important to have reliable estimates of both quantities. Sixteen different estimates of the changes in TSI since at least the 19th century were compiled from the literature. Half of these estimates are “low variability” and half are “high variability”. Meanwhile, five largely-independent methods for estimating Northern Hemisphere temperature trends were evaluated using: 1) only rural weather stations; 2) all available stations whether urban or rural (the standard approach); 3) only sea surface temperatures; 4) tree-ring widths as temperature proxies; 5) glacier length records as temperature proxies. The standard estimates which use urban as well as rural stations were somewhat anomalous as they implied a much greater warming in recent decades than the other estimates, suggesting that urbanization bias might still be a problem in current global temperature datasets – despite the conclusions of some earlier studies. Nonetheless, all five estimates confirm that it is currently warmer than the late 19th century, i.e., there has been some “global warming” since the 19th century. For each of the five estimates of Northern Hemisphere temperatures, the contribution from direct solar forcing for all sixteen estimates of TSI was evaluated using simple linear least-squares fitting. The role of human activity on recent warming was then calculated by fitting the residuals to the UN IPCC’s recommended “anthropogenic forcings” time series. For all five Northern Hemisphere temperature series, different TSI estimates suggest everything from no role for the Sun in recent decades (implying that recent global warming is mostly human-caused) to most of the recent global warming being due to changes in solar activity (that is, that recent global warming is mostly natural). It appears that previous studies (including the most recent IPCC reports) which had prematurely concluded the former, had done so because they failed to adequately consider all the relevant estimates of TSI and/or to satisfactorily address the uncertainties still associated with Northern Hemisphere temperature trend estimates. Therefore, several recommendations on how the scientific community can more satisfactorily resolve these issues are provided.

No abstract

The new detailed data set resulting from this field campaign, set in highly complex terrain, is helping improve turbulence schemes in meteorological and hydrological numerical models.

We present results of Monte Carlo study of the monomer-monomer correlation functions, static structure factor and asphericity characteristics of a single homopolymer in the coil and globular states for three distinct architectures of the chain: ring, open and star. To rationalise the results we introduce the dimensionless correlation functions rescaled via the corresponding mean-squared distances between monomers. For flexible chains with some architectures these functions exhibit a large degree of universality by falling onto a single or several distinct master curves. In the repulsive regime, where a stretched exponential times a power law form (de Cloizeaux scaling) can be applied, the corresponding exponents δ and θ have been obtained. The exponent δ = 1/ν is found to be universal for flexible strongly repulsive coils and in agreement with the theoretical prediction from improved higher-order Borel-resummed renormalisation group calculations. The short-distance exponents θυ of an open flexible chain are in a good agreement with the theoretical predictions in the strongly repulsive regime also. However, increasing the Kuhn length in relation to the monomer size leads to their fast cross-over towards the Gaussian behaviour. Likewise, a strong sensitivity of various exponents θij on the stiffness of the chain, or on the number of arms in star polymers, is observed. The correlation functions in the globular state are found to have a more complicated oscillating behaviour and their degree of universality has been reviewed. Average shapes of the polymers in terms of the asphericity characteristics, as well as the universal behaviour in the static structure factors, have been also investigated.PACS numbers: 36.20.Ey, 61.25.Hq