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

Data-driven charging strategies for grid-beneficial, customer-oriented and battery-preserving electric mobility

Electric Vehicle (EV) penetration and renewable energies enables synergies between energy supply, vehicle users, and the mobility sector. However, also new issues arise for car manufacturers: During charging and discharging of EV batteries a degradation (battery aging) occurs that correlates with a value depreciation of the entire EV. As EV users' satisfaction depends on reliable and value-stable products, car manufacturers offer charging assistants for simplified and sustainable EV usage by considering individual customer needs and battery aging. Hitherto models to quantify battery aging have limited practicability due to a complex execution. Data-driven methods hold feasible alternatives for SOH estimation. However, the existing approaches barely use user-related data. By means of a linear and a neural network regression model, we first estimate the energy consumption for driving considering individual driving styles and environmental conditions. In following work, the consumption model trained on data from batteries without degradation can be used to estimate the energy consumption for EVs with aged batteries. A discrepancy between the estimation and the real consumption indicates a battery aging caused by increased internal losses. We then target to evaluate the influence of charging strategies on battery degradation

Semiclassical time--dependent propagation in three dimensions: How accurate is it for a Coulomb potential?

A unified semiclassical time propagator is used to calculate the semiclassical time-correlation function in three cartesian dimensions for a particle moving in an attractive Coulomb potential. It is demonstrated that under these conditions the singularity of the potential does not cause any difficulties and the Coulomb interaction can be treated as any other non-singular potential. Moreover, by virtue of our three-dimensional calculation, we can explain the discrepancies between previous semiclassical and quantum results obtained for the one-dimensional radial Coulomb problem.Comment: 8 pages, 4 figures (EPS

A general electro-synthesis approach to amaryllidaceae alkaloids

Amaryllidaceae alkaloids appeal to organic chemists with their attractive structures and their impressive antitumor and acetylcholinesterase inhibitory properties. We demonstrate a highly versatile access to this family of natural products. A general protocol with high yields in a sustainable electro-organic key transformation on a metal-free anode to spirodienones facilitates functionalization to the alkaloids. The biomimetic syntheses start with the readily available, inexpensive biogenic starting materials methyl gallate, O-methyl tyramine, and vanillin derivatives. Through known dynamic resolutions, this technology provides access to both enantiomeric series of (epi-)martidine, (epi-)crinine, siculine, and galantamine, clinically prescribed for the treatment of Alzheimer's disease

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

Iodine monoxide in the Western Pacific marine boundary layer

A latitudinal cross-section and vertical profiles of iodine monoxide (IO) are reported from the marine boundary layer of the Western Pacific. The measurements were taken using Multi-Axis Differential Optical Absorption Spectroscopy (MAX-DOAS) during the TransBrom cruise of the German research vessel Sonne, which led from Tomakomai, Japan (42° N, 141° E) through the Western Pacific to Townsville, Australia (19° S, 146° E) in October 2009. In the marine boundary layer within the tropics (between 20° N and 5° S), IO mixing ratios ranged between 1 and 2.2 ppt, whereas in the subtropics and at mid-latitudes typical IO mixing ratios were around 1 ppt in the daytime. The profile retrieval reveals that the bulk of the IO was located in the lower part of the marine boundary layer. Photochemical simulations indicate that the organic iodine precursors observed during the cruise (CH3I, CH2I2, CH2ClI, CH2BrI) are not sufficient to explain the measured IO mixing ratios. Reasonable agreement between measured and modelled IO can only be achieved, if an additional sea-air flux of inorganic iodine (e.g. I2) is assumed in the model. Our observations add further evidence to previous studies that reactive iodine is an important oxidant in the marine boundary layer

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