Active Brownian particles with velocity-alignment and active fluctuations

We consider a model of active Brownian particles with velocity-alignment in two spatial dimensions with passive and active fluctuations. Hereby, active fluctuations refers to purely non-equilibrium stochastic forces correlated with the heading of an individual active particle. In the simplest case studied here, they are assumed as independent stochastic forces parallel (speed noise) and perpendicular (angular noise) to the velocity of the particle. On the other hand, passive fluctuations are defined by a noise vector independent of the direction of motion of a particle, and may account for example for thermal fluctuations. We derive a macroscopic description of the active Brownian particle gas with velocity-alignment interaction. Hereby, we start from the individual based description in terms of stochastic differential equations (Langevin equations) and derive equations of motion for the coarse grained kinetic variables (density, velocity and temperature) via a moment expansion of the corresponding probability density function. We focus here in particular on the different impact of active and passive fluctuations on the onset of collective motion and show how active fluctuations in the active Brownian dynamics can change the phase-transition behaviour of the system. In particular, we show that active angular fluctuation lead to an earlier breakdown of collective motion and to emergence of a new bistable regime in the mean-field case.Comment: 5 figures, 22 pages, submitted to New Journal of Physic

Mixed methodology in human brain research: integrating MRI and histology

Postmortem magnetic resonance imaging (MRI) can provide a bridge between histological observations and the in vivo anatomy of the human brain. Approaches aimed at the co-registration of data derived from the two techniques are gaining interest. Optimal integration of the two research fields requires detailed knowledge of the tissue property requirements for individual research techniques, as well as a detailed understanding of the consequences of tissue fixation steps on the imaging quality outcomes for both MRI and histology. Here, we provide an overview of existing studies that bridge between state-of-the-art imaging modalities, and discuss the background knowledge incorporated into the design, execution and interpretation of postmortem studies. A subset of the discussed challenges transfer to animal studies as well. This insight can contribute to furthering our understanding of the normal and diseased human brain, and to facilitate discussions between researchers from the individual disciplines

Critical evaluation of assessor difference correction approaches in sensory analysis

In sensory data analysis, assessor-dependent scaling effects may hinder the analysis of product differences. Romano et al. (2008) compared several approaches to reduce scaling differences between assessors by their ability to maximise the product effect F-values in a mixed ANOVA analysis. Their study on a sensory dataset of 14 cheese samples assessed by twelve assessors on a continuous scale showed that some of these approaches apparently improved the F-value of the product effect. However, this direct comparison is only legitimate if these F-values originate from the same null distribution. To obtain the null distributions of the different correction methods, we employed a permutation approach on the same cheese dataset also used by Romano et al. (2008) and a random noise simulation approach. Based on the empirically obtained null distributions, we calculated the corrected product effect significance to directly compare the performance of the preprocessing methods. Our results show that the null distributions of some preprocessing methods do not correspond to the expected F-distribution. In particular for the ten Berge method, the null distribution is shifted towards higher F-values. Therefore, an observed increase of the product effect F-value, as compared to the F-value on raw data, does not necessarily lead to increased product effect significance. If p-values are calculated based on such inflated F-values, significance may thus be overestimated. In contrast, calculation of p-values directly from the empirical null distributions obtained by permutation provides a common ground to properly compare method performance. Moreover, we show that differences in reproducibility between assessors, as they exist in real-world sensory datasets, may lead to overestimation of product effect significance by the mixed assessor model (MAM).publishedVersio

Spin correlations in spin blockade

We investigate spin currents and spin-current correlations for double quantum dots in the spin blockade regime. By analysing the time evolution of the density matrix, we obtain the spin resolved currents and derive from a generating function an expression for the fluctuations and correlations. Both the charge current and the spin current turn out to be generally super-Poissonian. Moreover, we study the influence of ac fields acting upon the transported electrons. In particular, we focus on fields that cause spin rotation or photon-assisted tunnelling.Comment: 14 pages, 9 figure

Global impacts of tropospheric halogens (Cl, Br, I) on oxidants and composition in GEOS-Chem [Discussion paper]

We present a simulation of the global present-day composition of the troposphere which includes the chemistry of halogens (Cl, Br, I). Building on previous work within the GEOS-Chem model we include emissions of inorganic iodine from the oceans, anthropogenic and biogenic sources of halogenated gases, gas phase chemistry, and a parameterised approach to heterogeneous halogen chemistry. Consistent with Schmidt et al. (2016) we do not include sea-salt debromination. Observations of halogen radicals (BrO, IO) are sparse but the model has some skill in reproducing these. Modelled IO shows both high and low biases when compared to different datasets, but BrO concentrations appear to be modelled low. Comparisons to the very sparse observations dataset of reactive Cl species suggest the model represents a lower limit of the impacts of these species, likely due to underestimates in emissions and therefore burdens. Inclusion of Cl, Br, and I results in a general improvement in simulation of ozone (O3) concentrations, except in polar regions where the model now underestimates O3 concentrations. Halogen chemistry reduces the global tropospheric O3 burden by 18.6 %, with the O3 lifetime reducing from 26 to 22 days. Global mean OH concentrations of 1.28  ×  106 molecules cm−3 are 8.2 % lower than in a simulation without halogens, leading to an increase in the CH4 lifetime (10.8 %) due to OH oxidation from 7.47 to 8.28 years. Oxidation of CH4 by Cl is small (∼  2 %) but Cl oxidation of other VOCs (ethane, acetone, and propane) can be significant (∼  15–27 %). Oxidation of VOCs by Br is smaller, representing 3.9 % of the loss of acetaldehyde and 0.9 % of the loss of formaldehyde

Atomic-scale confinement of optical fields

In the presence of matter there is no fundamental limit preventing confinement of visible light even down to atomic scales. Achieving such confinement and the corresponding intensity enhancement inevitably requires simultaneous control over atomic-scale details of material structures and over the optical modes that such structures support. By means of self-assembly we have obtained side-by-side aligned gold nanorod dimers with robust atomically-defined gaps reaching below 0.5 nm. The existence of atomically-confined light fields in these gaps is demonstrated by observing extreme Coulomb splitting of corresponding symmetric and anti-symmetric dimer eigenmodes of more than 800 meV in white-light scattering experiments. Our results open new perspectives for atomically-resolved spectroscopic imaging, deeply nonlinear optics, ultra-sensing, cavity optomechanics as well as for the realization of novel quantum-optical devices

3D‐Printed Metal–Organic Framework‐Derived Composites for Enhanced Photocatalytic Hydrogen Generation

This is the final version. Available on open access from Wiley via the DOI in this recordData Availability Statement: Research data are not shared.Direct ink writing technique is used to 3D print Ti-metal–organic framework (MOF) NH2-MIL-125 mixed with boehmite dispersal. Pt is also deposited onto 3D-printed monolith using atomic layer deposition (ALD) to offer additional catalytic sites. The Ti-MOF-derived powder sample and the pyrolyzed 3D-printed monolith samples are evaluated for photocatalytic H2 evolution under UV–vis light. As a proof of concept, herein, it is demonstrated that 3D-printed MOF-derived monolith photocatalysts show five times higher H2 evolution performance compared with TiO2/C powder sample due to better interaction between 3D-printed photocatalysts and the incident light. The high surface area, the formation of hierarchical macro- to nanopores, and the optimizable shape/size of the 3D-printed catalyst maximize the exposure of catalytic active sites to incident photons and increase their photocatalytic H2 evolution performance. In addition, the N-functionalized porous carbon from organic linker, and the uniformly distributed Pt/PtOx species deposited by ALD, provide cocatalytic active sites for photocatalytic reaction and further enhance photocatalytic activity 30% of 3D-printed monoliths. This work on the 3D-printed MOF-derived free-standing monoliths for photocatalytic application provides a readily available approach to further fabricate a variety of 3D-printed MOF-based and derived materials for different energy and environment applications

A nocturnal atmospheric loss of CH2I2 in the remote marine boundary layer.

Ocean emissions of inorganic and organic iodine compounds drive the biogeochemical cycle of iodine and produce reactive ozone-destroying iodine radicals that influence the oxidizing capacity of the atmosphere. Di-iodomethane (CH2I2) and chloro-iodomethane (CH2ICl) are the two most important organic iodine precursors in the marine boundary layer. Ship-borne measurements made during the TORERO (Tropical Ocean tRoposphere Exchange of Reactive halogens and Oxygenated VOC) field campaign in the east tropical Pacific Ocean in January/February 2012 revealed strong diurnal cycles of CH2I2 and CH2ICl in air and of CH2I2 in seawater. Both compounds are known to undergo rapid photolysis during the day, but models assume no night-time atmospheric losses. Surprisingly, the diurnal cycle of CH2I2 was lower in amplitude than that of CH2ICl, despite its faster photolysis rate. We speculate that night-time loss of CH2I2 occurs due to reaction with NO3 radicals. Indirect results from a laboratory study under ambient atmospheric boundary layer conditions indicate a k CH2I2+NO3 of ≤4 × 10-13 cm3 molecule-1 s-1; a previous kinetic study carried out at ≤100 Torr found k CH2I2+NO3 of 4 × 10-13 cm3 molecule-1 s-1. Using the 1-dimensional atmospheric THAMO model driven by sea-air fluxes calculated from the seawater and air measurements (averaging 1.8 +/- 0.8 nmol m-2 d-1 for CH2I2 and 3.7 +/- 0.8 nmol m-2 d-1 for CH2ICl), we show that the model overestimates night-time CH2I2 by >60 % but reaches good agreement with the measurements when the CH2I2 + NO3 reaction is included at 2-4 × 10-13 cm3 molecule-1 s-1. We conclude that the reaction has a significant effect on CH2I2 and helps reconcile observed and modeled concentrations. We recommend further direct measurements of this reaction under atmospheric conditions, including of product branching ratios.LJC acknowledges NERC (NE/J00619X/1) and the National Centre for Atmospheric Science (NCAS) for funding. The laboratory work was supported by the NERC React-SCI (NE/K005448/1) and RONOCO (NE/F005466/1) grants.This is the final version of the article. It was first available from Springer via http://dx.doi.org/10.1007/s10874-015-9320-

Traffic and Related Self-Driven Many-Particle Systems

Since the subject of traffic dynamics has captured the interest of physicists, many astonishing effects have been revealed and explained. Some of the questions now understood are the following: Why are vehicles sometimes stopped by so-called ``phantom traffic jams'', although they all like to drive fast? What are the mechanisms behind stop-and-go traffic? Why are there several different kinds of congestion, and how are they related? Why do most traffic jams occur considerably before the road capacity is reached? Can a temporary reduction of the traffic volume cause a lasting traffic jam? Under which conditions can speed limits speed up traffic? Why do pedestrians moving in opposite directions normally organize in lanes, while similar systems are ``freezing by heating''? Why do self-organizing systems tend to reach an optimal state? Why do panicking pedestrians produce dangerous deadlocks? All these questions have been answered by applying and extending methods from statistical physics and non-linear dynamics to self-driven many-particle systems. This review article on traffic introduces (i) empirically data, facts, and observations, (ii) the main approaches to pedestrian, highway, and city traffic, (iii) microscopic (particle-based), mesoscopic (gas-kinetic), and macroscopic (fluid-dynamic) models. Attention is also paid to the formulation of a micro-macro link, to aspects of universality, and to other unifying concepts like a general modelling framework for self-driven many-particle systems, including spin systems. Subjects such as the optimization of traffic flows and relations to biological or socio-economic systems such as bacterial colonies, flocks of birds, panics, and stock market dynamics are discussed as well.Comment: A shortened version of this article will appear in Reviews of Modern Physics, an extended one as a book. The 63 figures were omitted because of storage capacity. For related work see http://www.helbing.org