How to derive and parameterize effective potentials in colloid-polymer mixtures

Polymer chains in colloid-polymer mixtures can be coarse-grained by replacing them with single soft particles interacting via effective polymer-polymer and polymer-colloid pair potentials. Here we describe in detail how Ornstein-Zernike inversion techniques, originally developed for atomic and molecular fluids, can be generalized to complex fluids and used to derive effective potentials from computer simulations on a microscopic level. In particular, we consider polymer solutions for which we derive effective potentials between the centers of mass, and also between mid-points or end-points from simulations of self-avoiding walk polymers. In addition, we derive effective potentials for polymers near a hard wall or a hard sphere. We emphasize the importance of including both structural and thermodynamic information (through sum-rules) from the underlying simulations. In addition we develop a simple numerical scheme to optimize the parameterization of the density dependent polymer-polymer, polymer-wall and polymer-sphere potentials for dilute and semi-dilute polymer densities, thus opening up the possibility of performing large-scale simulations of colloid-polymer mixtures. The methods developed here should be applicable to a much wider range effective potentials in complex fluids.Comment: uses revtex4.cls; submitted for archival purpose

Investigating Rare Events by Transition Interface Sampling

We briefly review simulation schemes for the investigation of rare transitions and we resume the recently introduced Transition Interface Sampling, a method in which the computation of rate constants is recast into the computation of fluxes through interfaces dividing the reactant and product state.Comment: 12 pages, 1 figure, contributed paper to the proceedings of NEXT 2003, Second Sardinian International Conference on News and Expectations in Thermostatistics, 21-28 Sep 2003, Cagliari (Italy

The Corticomedial Amygdala and Learning in an Agonistic Situation in the Rat

Social agonistic behaviour of intact male rats is strongly reduced by the experience of defeat by a dominant male conspecific. Small electrolytic lesions in the corticomedial amygdala strongly affected this behavioural change due to defeat. No effects of the lesions were observed before and during the defeat. Some learning is still possible in corticomedial amygdala lesioned animals. A comparison of the effects of lesions made before the defeat with lesions made after the defeat revealed that the lesions primarily produce a retention deficit in social learning.

Implicit learning of recursive context-free grammars

Context-free grammars are fundamental for the description of linguistic syntax. However, most artificial grammar learning experiments have explored learning of simpler finite-state grammars, while studies exploring context-free grammars have not assessed awareness and implicitness. This paper explores the implicit learning of context-free grammars employing features of hierarchical organization, recursive embedding and long-distance dependencies. The grammars also featured the distinction between left- and right-branching structures, as well as between centre- and tail-embedding, both distinctions found in natural languages. People acquired unconscious knowledge of relations between grammatical classes even for dependencies over long distances, in ways that went beyond learning simpler relations (e.g. n-grams) between individual words. The structural distinctions drawn from linguistics also proved important as performance was greater for tail-embedding than centre-embedding structures. The results suggest the plausibility of implicit learning of complex context-free structures, which model some features of natural languages. They support the relevance of artificial grammar learning for probing mechanisms of language learning and challenge existing theories and computational models of implicit learning

Elaborating Transition Interface Sampling Methods

We review two recently developed efficient methods for calculating rate constants of processes dominated by rare events in high-dimensional complex systems. The first is transition interface sampling (TIS), based on the measurement of effective fluxes through hypersurfaces in phase space. TIS improves efficiency with respect to standard transition path sampling (TPS) rate constant techniques, because it allows a variable path length and is less sensitive to recrossings. The second method is the partial path version of TIS. Developed for diffusive processes, it exploits the loss of long time correlation. We discuss the relation between the new techniques and the standard reactive flux methods in detail. Path sampling algorithms can suffer from ergodicity problems, and we introduce several new techniques to alleviate these problems, notably path swapping, stochastic configurational bias Monte Carlo shooting moves and order-parameter free path sampling. In addition, we give algorithms to calculate other interesting properties from path ensembles besides rate constants, such as activation energies and reaction mechanisms.Comment: 36 pages, 5 figure

Effects of dietary fibre on behaviour and satiety in pigs

During the past decades there has been considerable interest in the use of dietary fibre in both animal and human nutrition. In human subjects dietary fibre has been studied intensively for possible effects on body-weight management and health. In animal nutrition the interest in dietary fibre has increased because it can be used as a cheap source of energy and because of its potential to improve animal welfare and reduce abnormal (mainly stereotypic) behaviour. Animal welfare is impaired if the diet does not provide sufficient satiety, combined with an environment that does not meet specific behavioural requirements related to natural feeding habits (e.g. rooting in pigs). A considerable proportion of the behavioural effects of dietary fibre are thought to be related to reduced feeding motivation. It has been hypothesized that: (1) bulky fibres increase satiety and thereby decrease physical activity and stereotypic behaviours immediately following a meal in pigs; (2) fermentable fibres prolong postprandial satiety and thereby reduce physical activity and appetitive behaviours for many hours after a meal. The validity of these hypotheses is examined by considering published data. In sows dietary fibres (irrespective of source) reduce stereotypic self-directed behaviours and substrate-directed behaviours, and to a lesser extent overall physical activity, indicating enhanced satiety shortly after a meal. Furthermore, fermentable dietary fibre reduces substrate-directed behaviour in sows and physical activity in sows and growing pigs for many hours after a meal. Evidence of long-term effects of poorly-fermentable fibre sources is inconclusive. The findings suggest that highly-fermentable dietary fibres have a higher potential to prolong postprandial satiet

Marktstemming december: prijzen en belangrijke ontwikkelingen

Een ruim aanbod van producten en een enigszins krimpende vraag zorgen er voor dat prijzen van veel landbouwproducten dalen. Ook de voerprijzen zijn gedaald en voor komende maanden wordt een verdere daling verwacht

Many-body interactions and correlations in coarse-grained descriptions of polymer solutions

We calculate the two, three, four, and five-body (state independent) effective potentials between the centers of mass (CM) of self avoiding walk polymers by Monte-Carlo simulations. For full overlap, these coarse-grained n-body interactions oscillate in sign as (-1)^n, and decrease in absolute magnitude with increasing n. We find semi-quantitative agreement with a scaling theory, and use this to discuss how the coarse-grained free energy converges when expanded to arbitrary order in the many-body potentials. We also derive effective {\em density dependent} 2-body potentials which exactly reproduce the pair-correlations between the CM of the self avoiding walk polymers. The density dependence of these pair potentials can be largely understood from the effects of the {\em density independent} 3-body potential. Triplet correlations between the CM of the polymers are surprisingly well, but not exactly, described by our coarse-grained effective pair potential picture. In fact, we demonstrate that a pair-potential cannot simultaneously reproduce the two and three body correlations in a system with many-body interactions. However, the deviations that do occur in our system are very small, and can be explained by the direct influence of 3-body potentials.Comment: 11 pages, 1 table, 9 figures, RevTeX (revtex.cls

Marktstemming oktober 2009: prijzen en belangrijke ontwikkelingen

Door de goede graanoogst ontwikkelen zich de prijzen van graan matig. De varkensmarkt is gekenmerkt door aanhoudende prijsdruk. Het herstel op de zuivelmarkt lijkt verder door te zetten