Resolving diffusion in clay minerals at different time scales: Combination of experimental and modeling approaches

Since no single experimental or modeling technique provides data that allow a description of transport processes in clays and clay minerals at all relevant scales, several complementary approaches have to be combined to understand and explain the interplay between transport relevant phenomena. In this paper molecular dynamics simulations (MD) were used to investigate the mobility of water in the interlayer of montmorillonite (Mt), and to estimate the influence of mineral surfaces and interlayer ions on the water diffusion. Random Walk (RW) simulations based on a simplified representation of pore space in Mt were used to estimate and understand the effect of the arrangement of Mt particles on the meso- to macroscopic diffusivity of water. These theoretical calculations were complemented with quasielastic neutron scattering (QENS) measurements of aqueous diffusion in Mt with two pseudo-layers of water performed at four significantly different energy resolutions (i.e. observation times). The size of the interlayer and the size of Mt particles are two characteristic dimensions which determine the time dependent behavior of water diffusion in Mt. MD simulations show that at very short time scales water dynamics has the characteristic features of an oscillatory motion in the cage formed by neighbors in the first coordination shell. At longer time scales, the interaction of water with the surface determines the water dynamics, and the effect of confinement on the overall water mobility within the interlayer becomes evident. At time scales corresponding to an average water displacement equivalent to the average size of Mt particles, the effects of tortuosity are observed in the meso- to macroscopic pore scale simulations. Consistent with the picture obtained in the simulations, the QENS data can be described using a (local) 3D diffusion at short observation times, whereas at sufficiently long observation times a 2D diffusive motion is clearly observed. The effects of tortuosity measured in macroscopic tracer diffusion experiments are in qualitative agreement with RW simulations. By using experimental data to calibrate molecular and mesoscopic theoretical models, a consistent description of water mobility in clay minerals from the molecular to the macroscopic scale can be achieved. In turn, simulations help in choosing optimal conditions for the experimental measurements and the data interpretation. (C) 2014 Elsevier B.V. All rights reserved.

Direct mate choice maintains diversity among sympatric cichlids in Lake Victoria

Mate choice may play an important role in animal speciation. The haplochromine cichlids of Lake Victoria are suitable to test this hypothesis. Diversity in ecology, coloration and anatomy evolved in these fish faster than postzygotic barriers to gene flow, and little is known about how this diversity is maintained. It was tested whether recognizable forms are selection-maintained morphs or reproductively isolated species by investigating in the field reproductive timing, location of spawning sites, and mate choice behaviour. There was a large interspecific overlap in timing of breeding and location of spawning sites, which was largest in members of the same genus. Behavioural mate choice of such closely related taxa was highly assortative, such that it is likely that they are sexually isolated species and that direct mate choice is the major force that directs gene flow and maintains form diversity. The results differ from what is known about recent radiations of other lacustrine fish groups where speciation seems to be driven by diverging microhabitat preferences or diverging timing of reproduction, but are in agreement with predictions from models of speciation by diverging mate preferences.

Plasma environment of a weak comet – Predictions for Comet 67P/Churyumov–Gerasimenko from multifluid-MHD and Hybrid models

The interaction of a comet with the solar wind undergoes various stages as the comet’s activity varies along its orbit. For a comet like 67P/Churyumov–Gerasimenko, the target comet of ESA’s Rosetta mission, the various features include the formation of a Mach cone, the bow shock, and close to perihelion even a diamagnetic cavity. There are different approaches to simulate this complex interplay between the solar wind and the comet’s extended neutral gas coma which include magnetohydrodynamics (MHD) and hybrid-type models. The first treats the plasma as fluids (one fluid in basic single fluid MHD) and the latter treats the ions as individual particles under the influence of the local electric and magnetic fields. The electrons are treated as a charge-neutralizing fluid in both cases. Given the different approaches both models yield different results, in particular for a low production rate comet. In this paper we will show that these differences can be reduced when using a multifluid instead of a single-fluid MHD model and increase the resolution of the Hybrid model. We will show that some major features obtained with a hybrid type approach like the gyration of the cometary heavy ions and the formation of the Mach cone can be partially reproduced with the multifluid-type model.

Regression of coronary atherosclerosis: Current evidence and future perspectives

Coronary atherosclerosis has been considered a chronic disease characterized by ongoing progression in response to systemic risk factors and local pro-atherogenic stimuli. As our understanding of the pathobiological mechanisms implicated in atherogenesis and plaque progression is evolving, effective treatment strategies have been developed that led to substantial reduction of the clinical manifestations and acute complications of coronary atherosclerotic disease. More recently, intracoronary imaging modalities have enabled detailed in vivo quantification and characterization of coronary atherosclerotic plaque, serial evaluation of atherosclerotic changes over time, and assessment of vascular responses to effective anti-atherosclerotic medications. The use of intracoronary imaging modalities has demonstrated that intensive lipid lowering can halt plaque progression and may even result in regression of coronary atheroma when the highest doses of the most potent statins are used. While current evidence indicates the feasibility of atheroma regression and of reversal of presumed high-risk plaque characteristics in response to intensive anti-atherosclerotic therapies, these changes of plaque size and composition are modest and their clinical implications remain largely elusive. Growing interest has focused on achieving more pronounced regression of coronary plaque using novel anti-atherosclerotic medications, and more importantly on elucidating ways toward clinical translation of favorable changes of plaque anatomy into more favorable clinical outcomes for our patients.

Global models of planet formation and evolution

Despite the strong increase in observational data on extrasolar planets, the processes that led to the formation of these planets are still not well understood. However, thanks to the high number of extrasolar planets that have been discovered, it is now possible to look at the planets as a population that puts statistical constraints on theoretical formation models. A method that uses these constraints is planetary population synthesis where synthetic planetary populations are generated and compared to the actual population. The key element of the population synthesis method is a global model of planet formation and evolution. These models directly predict observable planetary properties based on properties of the natal protoplanetary disc, linking two important classes of astrophysical objects. To do so, global models build on the simplified results of many specialized models that address one specific physical mechanism. We thoroughly review the physics of the sub-models included in global formation models. The sub-models can be classified as models describing the protoplanetary disc (of gas and solids), those that describe one (proto)planet (its solid core, gaseous envelope and atmosphere), and finally those that describe the interactions (orbital migration and N-body interaction). We compare the approaches taken in different global models, discuss the links between specialized and global models, and identify physical processes that require improved descriptions in future work. We then shortly address important results of planetary population synthesis like the planetary mass function or the mass-radius relationship. With these statistical results, the global effects of physical mechanisms occurring during planet formation and evolution become apparent, and specialized models describing them can be put to the observational test. Owing to their nature as meta models, global models depend on the results of specialized models, and therefore on the development of the field of planet formation theory as a whole. Because there are important uncertainties in this theory, it is likely that the global models will in future undergo significant modifications. Despite these limitations, global models can already now yield many testable predictions. With future global models addressing the geophysical characteristics of the synthetic planets, it should eventually become possible to make predictions about the habitability of planets based on their formation and evolution.