Diffusion of interacting particles in discrete geometries

We evaluate the self-diffusion and transport diffusion of interacting particles in a discrete geometry consisting of a linear chain of cavities, with interactions within a cavity described by a free-energy function. Exact analytical expressions are obtained in the absence of correlations, showing that the self-diffusion can exceed the transport diffusion if the free-energy function is concave. The effect of correlations is elucidated by comparison with numerical results. Quantitative agreement is obtained with recent experimental data for diffusion in a nanoporous zeolitic imidazolate framework material, ZIF-8.Comment: 5 pages main text (3 figures); 9 pages supplemental material (2 figures). (minor changes, published version

Adsorption and desorption in confined geometries: a discrete hopping model

We study the adsorption and desorption kinetics of interacting particles moving on a one-dimensional lattice. Confinement is introduced by limiting the number of particles on a lattice site. Adsorption and desorption are found to proceed at different rates, and are strongly influenced by the concentration-dependent transport diffusion. Analytical solutions for the transport and self-diffusion are given for systems of length 1 and 2 and for a zero-range process. In the last situation the self- and transport diffusion can be calculated analytically for any length.Comment: Published in EPJ ST volume "Brownian Motion in Confined Geometries

Comment on "Generalized exclusion processes: Transport coefficients"

In a recent paper Arita et al. [Phys. Rev. E 90, 052108 (2014)] consider the transport properties of a class of generalized exclusion processes. Analytical expressions for the transport-diffusion coefficient are derived by ignoring correlations. It is claimed that these expressions become exact in the hydrodynamic limit. In this Comment, we point out that (i) the influence of correlations upon the diffusion does not vanish in the hydrodynamic limit, and (ii) the expressions for the self- and transport diffusion derived by Arita et al. are special cases of results derived in [Phys. Rev. Lett. 111, 110601 (2013)].Comment: (citation added, published version

Induced order and reentrant melting in classical two-dimensional binary clusters

A binary system of classical charged particles interacting through a dipole repulsive potential and confined in a two-dimensional hardwall trap is studied by Brownian dynamics simulations. We found that the presence of small particles \emph{stabilizes} the angular order of the system as a consequence of radial fluctuations of the small particles. There is an optimum in the increased rigidity of the cluster as function of the number of small particles. The small (i.e. defect) particles melt at a lower temperature compared to the big particles and exhibit a \emph{reentrant} behavior in its radial order that is induced by the intershell rotation of the big particles.Comment: 7 pages, 3 figure

Low-temperature structural model of hcp solid C70_{70}

We report intermolecular potential-energy calculations for solid C_${70}$ and determine the optimum static orientations of the molecules at low temperature; we find them to be consistent with the monoclinic structural model proposed by us in an earlier report [Solid State Commun. {\bf 105), 247 (1998)]. This model indicates that the C_5 axis of the molecule is tilted by an angle $\approx$18^o from the monoclinic b axis in contrast with the molecular orientation proposed by Verheijen {\it et al.} [J. Chem. Phys. {\bf 166}, 287 (1992)] where the C_5 axis is parallel to the monoclinic b axis. In this calculation we have incorporated the effective bond charge Coulomb potential together with the Lennard-Jones potential between the molecule at the origin of the monoclinic unit cell and its six nearest neighbours, three above and three below. The minimum energy configuration for the molecular orientations turns out to be at $\theta$=18^o, $\phi$=8^o, and $\psi$=5^o, where $\theta$, $\phi$, and $\psi$ define the molecular orientations.Comment: ReVTeX (4 pages) + 2 PostScript figure

Why I tense up when you watch me: inferior parietal cortex mediates an audience’s influence on motor performance

The presence of an evaluative audience can alter skilled motor performance through changes in force output. To investigate how this is mediated within the brain, we emulated real-time social monitoring of participants’ performance of a fine grip task during functional magnetic resonance neuroimaging. We observed an increase in force output during social evaluation that was accompanied by focal reductions in activity within bilateral inferior parietal cortex. Moreover, deactivation of the left inferior parietal cortex predicted both inter- and intra-individual differences in socially-induced change in grip force. Social evaluation also enhanced activation within the posterior superior temporal sulcus, which conveys visual information about others’ actions to the inferior parietal cortex. Interestingly, functional connectivity between these two regions was attenuated by social evaluation. Our data suggest that social evaluation can vary force output through the altered engagement of inferior parietal cortex; a region implicated in sensorimotor integration necessary for object manipulation, and a component of the action-observation network which integrates and facilitates performance of observed actions. Social-evaluative situations may induce high-level representational incoherence between one’s own intentioned action and the perceived intention of others which, by uncoupling the dynamics of sensorimotor facilitation, could ultimately perturbe motor output

Environmental Particle Emissions due to Automated Drilling of Polypropylene Composites and Nanocomposites Reinforced with Talc, Montmorillonite and Wollastonite

In this study, the effect on nanoparticle emissions due to drilling on Polypropylene (PP) reinforced with 20% talc, 5% montmorillonite (MMT) and 5% Wollastonite (WO) is investigated. The study is the first to explore the nanoparticle release from WO and talc reinforced composites and compares the results to previously researched MMT. With 5% WO, equivalent tensile properties with a 10 % weight reduction were obtained relative to the reference 20% talc sample. The materials were fabricated through injection moulding. The nanorelease studies were undertaken using the controlled drilling methodology for nanoparticle exposure assessment developed within the European Commission funded SIRENA Life 11 ENV/ES/506 project. Measurements were taken using CPC and DMS50 equipment for real-time characterization and measurements. The particle number concentration (of particles <1000nm) and particle size distribution (4.87nm - 562.34nm) of the particles emitted during drilling were evaluated to investigate the effect of the silicate fillers on the particles released. The nano-filled samples exhibited a 33% decrease (MMT sample) or a 30% increase (WO sample) on the average particle number concentration released in comparison to the neat polypropylene sample. The size distribution data displayed a substantial percentage of the particles released from the PP, PP/WO and PP/MMT samples to be between 5-20nm, whereas the PP/talc sample emitted larger particle diameters.The work is funded by and part of the European Commission Life project named Simulation of the release of nanomaterials from consumer products for environmental exposure assessment (SIRENA, Pr. No. LIFE 11 ENV/ES/596). The access and use of the facilities at the Flemish Institute for Technological Research (VITO) was funded by QualityNano Project through Transnational Access (TA Application VITO-TAF-382 and VITO-TAF-500) under the European Commission, Grant Agreement No: INFRA-2010-262163. Kristof is also thankful for partial funding by the School of Engineering at Robert Gordon University for his studentship

Neuroinflammation, Mast Cells, and Glia: Dangerous Liaisons

The perspective of neuroinflammation as an epiphenomenon following neuron damage is being replaced by the awareness of glia and their importance in neural functions and disorders. Systemic inflammation generates signals that communicate with the brain and leads to changes in metabolism and behavior, with microglia assuming a pro-inflammatory phenotype. Identification of potential peripheral-to-central cellular links is thus a critical step in designing effective therapeutics. Mast cells may fulfill such a role. These resident immune cells are found close to and within peripheral nerves and in brain parenchyma/meninges, where they exercise a key role in orchestrating the inflammatory process from initiation through chronic activation. Mast cells and glia engage in crosstalk that contributes to accelerate disease progression; such interactions become exaggerated with aging and increased cell sensitivity to stress. Emerging evidence for oligodendrocytes, independent of myelin and support of axonal integrity, points to their having strong immune functions, innate immune receptor expression, and production/response to chemokines and cytokines that modulate immune responses in the central nervous system while engaging in crosstalk with microglia and astrocytes. In this review, we summarize the findings related to our understanding of the biology and cellular signaling mechanisms of neuroinflammation, with emphasis on mast cell-glia interactions

On Strong and Weak Sustainability, with an Application to Self-Suspending Real-Time Tasks

Motivated by an apparent contradiction regarding whether certain scheduling policies are sustainable, we revisit the topic of sustainability in real-time scheduling and argue that the existing definitions of sustainability should be further clarified and generalized. After proposing a formal, generic sustainability theory, we relax the existing notion of (strongly) sustainable scheduling policy to provide a new classification called weak sustainability. Proving weak sustainability properties allows reducing the number of variables that must be considered in the search of a worst-case schedule, and hence enables more efficient schedulability analyses and testing regimes even for policies that are not (strongly) sustainable. As a proof of concept, and to better understand a model for which many mistakes were found in the literature, we study weak sustainability in the context of dynamic self-suspending tasks, where we formalize a generic suspension model using the Coq proof assistant and provide a machine-checked proof that any JLFP scheduling policy is weakly sustainable with respect to job costs and variable suspension times