@article{ZhangChenArminetal.2017, author = {Zhang, Kai and Chen, Zhiming and Armin, Ardalan and Dong, Sheng and Xia, Ruoxi and Yip, Hin-Lap and Shoaee, Safa and Huang, Fei and Cao, Yong}, title = {Efficient large area organic solar cells processed by blade-coating with single-component green solvent}, series = {Solar Rrl}, volume = {2}, journal = {Solar Rrl}, number = {1}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {2367-198X}, doi = {10.1002/solr.201700169}, pages = {9}, year = {2017}, abstract = {While the performance of laboratory-scale organic solar cells (OSCs) continues to grow, development of high efficiency large area OSCs remains a big challenge. Although a few attempts to produce large area organic solar cells (OSCs) have been reported, there are still challenges on the way to realizing efficient module devices, such as the low compatibility of the thickness-sensitive active layer with large area coating techniques, the frequent need for toxic solvents and tedious optimization processes used during device fabrication. In this work, highly efficient thickness-insensitive OSCs based on PTB7-Th:PC71BM that processed with single-component green solvent 2-methylanisole are presented, in which both junction thickness limitation and solvent toxicity issues are simultaneously addressed. Careful investigation reveals that this green solvent prevents the evolution of PC71BM into large area clusters resulting in reduced charge carrier recombination, and largely eliminates trapping centers, and thus improves the thickness tolerance of the films. These findings enable us to address the scalability and solvent toxicity issues and to fabricate a 16 cm(2) OSC with doctor-blade coating with a state-of-the-art power conversion efficiency of 7.5\% using green solvent.}, language = {en} } @article{GoutQuadeShafietal.2017, author = {Gout, Julien and Quade, Markus and Shafi, Kamran and Niven, Robert K. and Abel, Markus}, title = {Synchronization control of oscillator networks using symbolic regression}, series = {Nonlinear Dynamics}, volume = {91}, journal = {Nonlinear Dynamics}, number = {2}, publisher = {Springer}, address = {Dordrecht}, issn = {0924-090X}, doi = {10.1007/s11071-017-3925-z}, pages = {1001 -- 1021}, year = {2017}, abstract = {Networks of coupled dynamical systems provide a powerful way to model systems with enormously complex dynamics, such as the human brain. Control of synchronization in such networked systems has far-reaching applications in many domains, including engineering and medicine. In this paper, we formulate the synchronization control in dynamical systems as an optimization problem and present a multi-objective genetic programming-based approach to infer optimal control functions that drive the system from a synchronized to a non-synchronized state and vice versa. The genetic programming-based controller allows learning optimal control functions in an interpretable symbolic form. The effectiveness of the proposed approach is demonstrated in controlling synchronization in coupled oscillator systems linked in networks of increasing order complexity, ranging from a simple coupled oscillator system to a hierarchical network of coupled oscillators. The results show that the proposed method can learn highly effective and interpretable control functions for such systems.}, language = {en} } @article{ReeseGudmundssonLevermannetal.2017, author = {Reese, Ronja and Gudmundsson, Gudmundur Hilmar and Levermann, Anders and Winkelmann, Ricarda}, title = {The far reach of ice-shelf thinning in Antarctica}, series = {Nature climate change}, volume = {8}, journal = {Nature climate change}, number = {1}, publisher = {Nature Publ. Group}, address = {London}, issn = {1758-678X}, doi = {10.1038/s41558-017-0020-x}, pages = {53 -- 57}, year = {2017}, abstract = {Floating ice shelves, which fringe most of Antarctica's coastline, regulate ice flow into the Southern Ocean1,2,3. Their thinning4,5,6,7 or disintegration8,9 can cause upstream acceleration of grounded ice and raise global sea levels. So far the effect has not been quantified in a comprehensive and spatially explicit manner. Here, using a finite-element model, we diagnose the immediate, continent-wide flux response to different spatial patterns of ice-shelf mass loss. We show that highly localized ice-shelf thinning can reach across the entire shelf and accelerate ice flow in regions far from the initial perturbation. As an example, this 'tele-buttressing' enhances outflow from Bindschadler Ice Stream in response to thinning near Ross Island more than 900 km away. We further find that the integrated flux response across all grounding lines is highly dependent on the location of imposed changes: the strongest response is caused not only near ice streams and ice rises, but also by thinning, for instance, well-within the Filchner-Ronne and Ross Ice Shelves. The most critical regions in all major ice shelves are often located in regions easily accessible to the intrusion of warm ocean waters10,11,12, stressing Antarctica's vulnerability to changes in its surrounding ocean.}, language = {en} } @article{WaldripNivenAbeletal.2017, author = {Waldrip, S. H. and Niven, Robert K. and Abel, Markus and Schlegel, M.}, title = {Reduced-Parameter Method for Maximum Entropy Analysis of Hydraulic Pipe Flow Networks}, series = {Journal of hydraulic engineering}, volume = {144}, journal = {Journal of hydraulic engineering}, number = {2}, publisher = {American Society of Civil Engineers}, address = {Reston}, issn = {0733-9429}, doi = {10.1061/(ASCE)HY.1943-7900.0001379}, pages = {10}, year = {2017}, abstract = {A maximum entropy (MaxEnt) method is developed to predict flow rates or pressure gradients in hydraulic pipe networks without sufficient information to give a closed-form (deterministic) solution. This methodology substantially extends existing deterministic flow network analysis methods. It builds on the MaxEnt framework previously developed by the authors. This study uses a continuous relative entropy defined on a reduced parameter set, here based on the external flow rates. This formulation ensures consistency between different representations of the same network. The relative entropy is maximized subject to observable constraints on the mean values of a subset of flow rates or potential differences, the frictional properties of each pipe, and physical constraints arising from Kirchhoff's first and second laws. The new method is demonstrated by application to a simple one-loop network and a 1,123-node, 1,140-pipe water distribution network in the suburb of Torrens, Australian Capital Territory, Australia.}, language = {en} } @article{KamannHusserDreizleretal.2017, author = {Kamann, Sebastian and Husser, T. -O. and Dreizler, S. and Emsellem, E. and Weilbacher, Peter Michael and Martens, S. and Bacon, R. and den Brok, M. and Giesers, B. and Krajnovic, Davor and Roth, Martin M. and Wendt, Martin and Wisotzki, Lutz}, title = {A stellar census in globular clusters with MUSE}, series = {Monthly notices of the Royal Astronomical Society}, volume = {473}, journal = {Monthly notices of the Royal Astronomical Society}, number = {4}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/stx2719}, pages = {5591 -- 5616}, year = {2017}, abstract = {This is the first of a series of papers presenting the results from our survey of 25 Galactic globular clusters with the MUSE integral-field spectrograph. In combination with our dedicated algorithm for source deblending, MUSE provides unique multiplex capabilities in crowded stellar fields and allows us to acquire samples of up to 20 000 stars within the half-light radius of each cluster. The present paper focuses on the analysis of the internal dynamics of 22 out of the 25 clusters, using about 500 000 spectra of 200 000 individual stars. Thanks to the large stellar samples per cluster, we are able to perform a detailed analysis of the central rotation and dispersion fields using both radial profiles and two-dimensional maps. The velocity dispersion profiles we derive show a good general agreement with existing radial velocity studies but typically reach closer to the cluster centres. By comparison with proper motion data, we derive or update the dynamical distance estimates to 14 clusters. Compared to previous dynamical distance estimates for 47 Tuc, our value is in much better agreement with other methods. We further find significant (>3 sigma) rotation in the majority (13/22) of our clusters. Our analysis seems to confirm earlier findings of a link between rotation and the ellipticities of globular clusters. In addition, we find a correlation between the strengths of internal rotation and the relaxation times of the clusters, suggesting that the central rotation fields are relics of the cluster formation that are gradually dissipated via two-body relaxation.}, language = {en} } @misc{ShpritsAngelopoulosRusselletal.2017, author = {Shprits, Yuri and Angelopoulos, V. and Russell, C. T. and Strangeway, R. J. and Runov, A. and Turner, D. and Caron, R. and Cruce, P. and Leneman, D. and Michaelis, I. and Petrov, V. and Panasyuk, M. and Yashin, I. and Drozdov, Alexander and Russell, C. L. and Kalegaev, V. and Nazarkov, I. and Clemmons, J. H.}, title = {Scientific Objectives of Electron Losses and Fields INvestigation Onboard Lomonosov Satellite}, series = {Space science reviews}, volume = {214}, journal = {Space science reviews}, number = {1}, publisher = {Springer}, address = {Dordrecht}, issn = {0038-6308}, doi = {10.1007/s11214-017-0455-4}, pages = {19}, year = {2017}, abstract = {The objective of the Electron Losses and Fields INvestigation on board the Lomonosov satellite ( ELFIN-L) project is to determine the energy spectrum of precipitating energetic electrons and ions and, together with other polar-orbiting and equatorial missions, to better understand the mechanisms responsible for scattering these particles into the atmosphere. This mission will provide detailed measurements of the radiation environment at low altitudes. The 400-500 km sun-synchronous orbit of Lomonosov is ideal for observing electrons and ions precipitating into the atmosphere. This mission provides a unique opportunity to test the instruments. Similar suite of instruments will be flown in the future NSF-and NASA-supported spinning CubeSat ELFIN satellites which will augment current measurements by providing detailed information on pitch-angle distributions of precipitating and trapped particles.}, language = {en} } @article{MuellerCooperLangeetal.2017, author = {M{\"u}ller, B. R. and Cooper, R. C. and Lange, A. and Kupsch, Andreas and Wheeler, M. and Hentschel, M. P. and Staude, A. and Pandey, A. and Shyam, A. and Bruno, Giovanni}, title = {Stress-induced microcrack density evolution in beta-eucryptite ceramics}, series = {Acta materialia}, volume = {144}, journal = {Acta materialia}, publisher = {Elsevier}, address = {Oxford}, issn = {1359-6454}, doi = {10.1016/j.actamat.2017.10.030}, pages = {627 -- 641}, year = {2017}, abstract = {In order to investigate their microcracking behaviour, the microstructures of several beta-eucryptite ceramics, obtained from glass precursor and cerammed to yield different grain sizes and microcrack densities, were characterized by laboratory and synchrotron x-ray refraction and tomography. Results were compared with those obtained from scanning electron microscopy (SEM). In SEM images, the characterized materials appeared fully dense but computed tomography showed the presence of pore clusters. Uniaxial tensile testing was performed on specimens while strain maps were recorded and analyzed by Digital Image Correlation (DIC). X-ray refraction techniques were applied on specimens before and after tensile testing to measure the amount of the internal specific surface (i.e., area per unit volume). X-ray refraction revealed that (a) the small grain size (SGS) material contained a large specific surface, originating from the grain boundaries and the interfaces of TiO2 precipitates; (b) the medium (MGS) and large grain size (LGS) materials possessed higher amounts of specific surface compared to SGS material due to microcracks, which decreased after tensile loading; (c) the precursor glass had negligible internal surface. The unexpected decrease in the internal surface of MGS and LGS after tensile testing is explained by the presence of compressive regions in the DIC strain maps and further by theoretical arguments. It is suggested that while some microcracks merge via propagation, more close mechanically, thereby explaining the observed X-ray refraction results. The mechanisms proposed would allow the development of a strain hardening route in ceramics.}, language = {en} } @misc{JavanainenMartinezSearaMetzleretal.2017, author = {Javanainen, Matti and Martinez-Seara, Hector and Metzler, Ralf and Vattulainen, Ilpo Tapio}, title = {Diffusion of Proteins and Lipids in Protein-Rich Membranesa}, series = {Biophysical journal}, volume = {114}, journal = {Biophysical journal}, number = {3}, publisher = {Cell Press}, address = {Cambridge}, issn = {0006-3495}, doi = {10.1016/j.bpj.2017.11.3009}, pages = {551A -- 551A}, year = {2017}, language = {en} } @article{PillitteriFossatiRodriguezetal.2017, author = {Pillitteri, Ignazio and Fossati, Luca and Rodriguez, N. Castro and Oskinova, Lidia M. and Wolk, Scott J.}, title = {Detection of magnetic field in the B2 star rho Ophiuchi A with ESO FORS2}, series = {Astronomy and astrophysics : an international weekly journal}, volume = {610}, journal = {Astronomy and astrophysics : an international weekly journal}, publisher = {EDP Sciences}, address = {Les Ulis}, issn = {1432-0746}, doi = {10.1051/0004-6361/201732078}, pages = {4}, year = {2017}, abstract = {Circumstantial evidence suggests that magnetism and enhanced X-ray emission are likely correlated in early B-type stars: similar fractions of them (similar to 10\%) are strong and hard X-ray sources and possess strong magnetic fields. It is also known that some B-type stars have spots on their surface. Yet up to now no X-ray activity associated with spots on early-type stars was detected. In this Letter we report the detection of a magnetic field on the B2V star rho Oph A. Previously, we assessed that the X-ray activity of this star is associated with a surface spot, herewith we establish its magnetic origin. We analyze spectra of rho Oph A obtained with the FORS2 spectrograph at ESO Very Large Telescope (VLT) at two epochs, and detect a longitudinal component of the magnetic field of the order of similar to 500 G in one of the datasets. The detection of the magnetic field only at one epoch can be explained by stellar rotation which is also invoked to explain observed periodic X-ray activity. From archival HARPS ESO VLT high resolution spectra we derived the fundamental stellar parameters of rho Oph A and further constrained its age. We conclude that rho Oph A provides strong evidence for the presence of active X-ray emitting regions on young magnetized early type stars.}, language = {en} } @article{BolotovSmirnovOsipovetal.2017, author = {Bolotov, Maxim I. and Smirnov, Lev A. and Osipov, Grigory V. and Pikovskij, Arkadij}, title = {Breathing chimera in a system of phase oscillators}, series = {JETP Letters}, volume = {106}, journal = {JETP Letters}, publisher = {Pleiades Publ.}, address = {New York}, issn = {0021-3640}, doi = {10.1134/S0021364017180059}, pages = {393 -- 399}, year = {2017}, abstract = {Chimera states consisting of synchronous and asynchronous domains in a medium of nonlinearly coupled phase oscillators have been considered. Stationary inhomogeneous solutions of the Ott-Antonsen equation for a complex order parameter that correspond to fundamental chimeras have been constructed. The direct numerical simulation has shown that these structures under certain conditions are transformed to oscillatory (breathing) chimera regimes because of the development of instability.}, language = {en} } @article{IzotovSchaererWorsecketal.2017, author = {Izotov, Y. I. and Schaerer, Daniel and Worseck, Gabor and Guseva, N. G. and Thuan, T. X. and Verhamme, A. and Orlitova, I. and Fricke, K. J.}, title = {J1154+2443: a low-redshift compact star-forming galaxy with a 46 per cent leakage of Lyman continuum photons}, series = {Monthly notices of the Royal Astronomical Society}, volume = {474}, journal = {Monthly notices of the Royal Astronomical Society}, number = {4}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/stx3115}, pages = {4514 -- 4527}, year = {2017}, abstract = {We report the detection of the Lyman continuum (LyC) radiation of the compact star-forming galaxy (SFG) J1154+2443 observed with the Cosmic Origins Spectrograph (COS) onboard the Hubble Space Telescope. This galaxy, at a redshift of z = 0.3690, is characterized by a high emission-line flux ratio O-32 = [O III] lambda 5007/[O II] lambda 3727 = 11.5. The escape fraction of the LyC radiation f(esc)(LyC) in this galaxy is 46 per cent, the highest value found so far in low-redshift SFGs and one of the highest values found in galaxies at any redshift. The narrow double-peaked Ly alpha emission line is detected in the spectrum of J1154+2443 with a separation between the peaks V-sep of 199 km s(-1), one of the lowest known for Ly alpha-emitting galaxies, implying a high f(esc)(Ly alpha). Comparing the extinction-corrected Ly alpha/H beta flux ratio with the case B value, we find f(esc)(Ly alpha) = 98 per cent. Our observations, combined with previous detections in the literature, reveal an increase of O-32 with increasing f(esc)(LyC). We also find a tight anticorrelation between f(esc)(LyC) and V-sep. The surface brightness profile derived from the COS acquisition image reveals a bright star-forming region in the centre and an exponential disc in the outskirts with a disc scale length alpha = 1.09 kpc. J1154+2443, compared to other known low-redshift LyC leakers, is characterized by the lowest metallicity, 12+log O/H = 7.65 +/- 0.01, the lowest stellar mass M-star = 108.20 M-circle dot, a similar star formation rate SFR = 18.9 M-circle dot yr(-1), and a high specific SFR of 1.2 x 10(-7) yr(-1).}, language = {en} } @article{HaniSparreEllisonetal.2017, author = {Hani, Maan H. and Sparre, Martin and Ellison, Sara L. and Torrey, Paul and Vogelsberger, Mark}, title = {Galaxy mergers moulding the circum-galactic medium}, series = {Monthly notices of the Royal Astronomical Society}, volume = {475}, journal = {Monthly notices of the Royal Astronomical Society}, number = {1}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/stx3252}, pages = {1160 -- 1176}, year = {2017}, abstract = {Galaxies are surrounded by sizeable gas reservoirs which host a significant amount of metals: the circum-galactic medium (CGM). The CGM acts as a mediator between the galaxy and the extragalactic medium. However, our understanding of how galaxy mergers, a major evolutionary transformation, impact the CGM remains deficient. We present a theoretical study of the effect of galaxy mergers on the CGM. We use hydrodynamical cosmological zoom-in simulations of a major merger selected from the Illustris project such that the z = 0 descendant has a halo mass and stellar mass comparable to the Milky Way. To study the CGM we then re-simulated this system at a 40 times better mass resolution, and included detailed post-processing ionization modelling. Our work demonstrates the effect the merger has on the characteristic size of the CGM, its metallicity, and the predicted covering fraction of various commonly observed gas-phase species, such as H I, C IV, and O VI. We show that merger-induced outflows can increase the CGM metallicity by 0.2-0.3 dex within 0.5 Gyr post-merger. These effects last up to 6 Gyr post-merger. While the merger increases the total metal covering fractions by factors of 2-3, the covering fractions of commonly observed UV ions decrease due to the hard ionizing radiation from the active galactic nucleus, which we model explicitly. Our study of the single simulated major merger presented in this work demonstrates the significant impact that a galaxy interaction can have on the size, metallicity, and observed column densities of the CGM.}, language = {en} } @misc{GudowskaNowakLindenbergMetzler2017, author = {Gudowska-Nowak, Ewa and Lindenberg, Katja and Metzler, Ralf}, title = {Preface: Marian Smoluchowski's 1916 paper—a century of inspiration}, series = {Journal of physics : A, Mathematical and theoretical}, volume = {50}, journal = {Journal of physics : A, Mathematical and theoretical}, number = {38}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {1751-8113}, doi = {10.1088/1751-8121/aa8529}, pages = {8}, year = {2017}, language = {en} } @article{KarCherstvyMetzler2017, author = {Kar, Prathitha and Cherstvy, Andrey G. and Metzler, Ralf}, title = {Acceleration of bursty multiprotein target search kinetics on DNA by colocalisation}, series = {Physical chemistry, chemical physics : a journal of European Chemical Societies}, volume = {20}, journal = {Physical chemistry, chemical physics : a journal of European Chemical Societies}, number = {12}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {1463-9076}, doi = {10.1039/c7cp06922g}, pages = {7931 -- 7946}, year = {2017}, abstract = {Proteins are capable of locating specific targets on DNA by employing a facilitated diffusion process with intermittent 1D and 3D search steps. Gene colocalisation and coregulation-i.e. the spatial proximity of two communicating genes-is one factor capable of accelerating the target search process along the DNA. We perform Monte Carlo computer simulations and demonstrate the benefits of gene colocalisation for minimising the search time in a model DNA-protein system. We use a simple diffusion model to mimic the search for targets by proteins, produced initially in bursts of multiple proteins and performing the first-passage search on the DNA chain. The behaviour of the mean first-passage times to the target is studied as a function of distance between the initial position of proteins and the DNA target position, as well as versus the concentration of proteins. We also examine the properties of bursty target search kinetics for varying physical-chemical protein-DNA binding affinity. Our findings underline the relevance of colocalisation of production and binding sites for protein search inside biological cells.}, language = {en} } @article{SysoevPonomarenkoPikovskij2017, author = {Sysoev, Ilya V. and Ponomarenko, Vladimir I. and Pikovskij, Arkadij}, title = {Reconstruction of coupling architecture of neural field networks from vector time series}, series = {Communications in nonlinear science \& numerical simulation}, volume = {57}, journal = {Communications in nonlinear science \& numerical simulation}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1007-5704}, doi = {10.1016/j.cnsns.2017.10.006}, pages = {342 -- 351}, year = {2017}, abstract = {We propose a method of reconstruction of the network coupling matrix for a basic voltage-model of the neural field dynamics. Assuming that the multivariate time series of observations from all nodes are available, we describe a technique to find coupling constants which is unbiased in the limit of long observations. Furthermore, the method is generalized for reconstruction of networks with time-delayed coupling, including the reconstruction of unknown time delays. The approach is compared with other recently proposed techniques.}, language = {en} } @article{OlsonAnFanetal.2017, author = {Olson, R. and An, Soon-Il and Fan, Y. and Evans, J. P. and Caesar, Levke}, title = {North Atlantic observations sharpen meridional overturning projections}, series = {Climate dynamics : observational, theoretical and computational research on the climate system}, volume = {50}, journal = {Climate dynamics : observational, theoretical and computational research on the climate system}, number = {11-12}, publisher = {Springer}, address = {New York}, issn = {0930-7575}, doi = {10.1007/s00382-017-3867-7}, pages = {4171 -- 4188}, year = {2017}, abstract = {Atlantic Meridional Overturning Circulation (AMOC) projections are uncertain due to both model errors, as well as internal climate variability. An AMOC slowdown projected by many climate models is likely to have considerable effects on many aspects of global and North Atlantic climate. Previous studies to make probabilistic AMOC projections have broken new ground. However, they do not drift-correct or cross-validate the projections, and do not fully account for internal variability. Furthermore, they consider a limited subset of models, and ignore the skill of models at representing the temporal North Atlantic dynamics. We improve on previous work by applying Bayesian Model Averaging to weight 13 Coupled Model Intercomparison Project phase 5 models by their skill at modeling the AMOC strength, and its temporal dynamics, as approximated by the northern North-Atlantic temperature-based AMOC Index. We make drift-corrected projections accounting for structural model errors, and for the internal variability. Cross-validation experiments give approximately correct empirical coverage probabilities, which validates our method. Our results present more evidence that AMOC likely already started slowing down. While weighting considerably moderates and sharpens our projections, our results are at low end of previously published estimates. We project mean AMOC changes between periods 1960-1999 and 2060-2099 of -4.0 Sv and -6.8 Sv for RCP4.5 and RCP8.5 emissions scenarios respectively. The corresponding average 90\% credible intervals for our weighted experiments are [-7.2, -1.2] and [-10.5, -3.7] Sv respectively for the two scenarios.}, language = {en} } @article{HintscheWaljorGrossmannetal.2017, author = {Hintsche, Marius and Waljor, Veronika and Grossmann, Robert and K{\"u}hn, Marco J. and Thormann, Kai M. and Peruani, Fernando and Beta, Carsten}, title = {A polar bundle of flagella can drive bacterial swimming by pushing, pulling, or coiling around the cell body}, series = {Scientific reports}, volume = {7}, journal = {Scientific reports}, publisher = {Macmillan Publishers Limited, part of Springer Nature}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-017-16428-9}, pages = {10}, year = {2017}, abstract = {Bacteria swim in sequences of straight runs that are interrupted by turning events. They drive their swimming locomotion with the help of rotating helical flagella. Depending on the number of flagella and their arrangement across the cell body, different run-and-turn patterns can be observed. Here, we present fluorescence microscopy recordings showing that cells of the soil bacterium Pseudomonas putida that are decorated with a polar tuft of helical flagella, can alternate between two distinct swimming patterns. On the one hand, they can undergo a classical push-pull-push cycle that is well known from monopolarly flagellated bacteria but has not been reported for species with a polar bundle of multiple flagella. Alternatively, upon leaving the pulling mode, they can enter a third slow swimming phase, where they propel themselves with their helical bundle wrapped around the cell body. A theoretical estimate based on a random-walk model shows that the spreading of a population of swimmers is strongly enhanced when cycling through a sequence of pushing, pulling, and wrapped flagellar configurations as compared to the simple push-pull-push pattern.}, language = {en} } @article{MahataPandayRupakhetietal.2017, author = {Mahata, Khadak Singh and Panday, Arnico Kumar and Rupakheti, Maheswar and Singh, Ashish and Naja, Manish and Lawrence, Mark}, title = {Seasonal and diurnal variations in methane and carbon dioxide in the Kathmandu Valley in the foothills of the central Himalayas}, series = {Atmospheric Chemistry and Physics}, volume = {17}, journal = {Atmospheric Chemistry and Physics}, number = {20}, publisher = {Copernicus}, address = {G{\"o}ttingen}, issn = {1680-7316}, doi = {10.5194/acp-17-12573-2017}, pages = {12573 -- 12596}, year = {2017}, abstract = {The SusKat-ABC (Sustainable Atmosphere for the Kathmandu Valley-Atmospheric Brown Clouds) international air pollution measurement campaign was carried out from December 2012 to June 2013 in the Kathmandu Valley and surrounding regions in Nepal. The Kathmandu Valley is a bowl-shaped basin with a severe air pollution problem. This paper reports measurements of two major greenhouse gases (GHGs), methane (CH4) and carbon dioxide (CO2), along with the pollutant CO, that began during the campaign and were extended for 1 year at the SusKat-ABC supersite in Bode, a semi-urban location in the Kathmandu Valley. Simultaneous measurements were also made during 2015 in Bode and a nearby rural site (Chanban) similar to 25 km (aerial distance) to the southwest of Bode on the other side of a tall ridge. The ambient mixing ratios of methane (CH4), carbon dioxide (CO2), water vapor, and carbon monoxide (CO) were measured with a cavity ring-down spectrometer (G2401; Picarro, USA) along with meteorological parameters for 1 year (March 2013-March 2014). These measurements are the first of their kind in the central Himalayan foothills. At Bode, the annual average mixing ratios of CO2 and CH4 were 419.3 (+/- 6.0) ppm and 2.192 (+/- 0.066) ppm, respectively. These values are higher than the levels observed at background sites such as Mauna Loa, USA (CO2: 396.8 +/- 2.0 ppm, CH4: 1.831 +/- 0.110 ppm) and Waliguan, China (CO2: 397.7 +/- 3.6 ppm, CH4: 1.879 +/- 0.009 ppm) during the same period and at other urban and semi-urban sites in the region, such as Ahmedabad and Shadnagar (India). They varied slightly across the seasons at Bode, with seasonal average CH4 mixing ratios of 2.157 (+/- 0.230) ppm in the pre-monsoon season, 2.199 (+/- 0.241) ppm in the monsoon, 2.210 (+/- 0.200) ppm in the post-monsoon, and 2.214 (+/- 0.209) ppm in the winter season. The average CO2 mixing ratios were 426.2 (+/- 25.5) ppm in the pre-monsoon, 413.5 (+/- 24.2) ppm in the monsoon, 417.3 (+/- 23.1) ppm in the postmonsoon, and 421.9 (+/- 20.3) ppm in the winter season. The maximum seasonal mean mixing ratio of CH4 in winter was only 0.057 ppm or 2.6\% higher than the seasonal minimum during the pre-monsoon period, while CO2 was 12.8 ppm or 3.1\% higher during the pre-monsoon period (seasonal maximum) than during the monsoon (seasonal minimum). On the other hand, the CO mixing ratio at Bode was 191\% higher during the winter than during the monsoon season. The enhancement in CO2 mixing ratios during the pre-monsoon season is associated with additional CO2 emissions from forest fires and agro-residue burning in northern South Asia in addition to local emissions in the Kathmandu Valley. Published CO = CO2 ratios of different emission sources in Nepal and India were compared with the observed CO = CO2 ratios in this study. This comparison suggested that the major sources in the Kathmandu Valley were residential cooking and vehicle exhaust in all seasons except winter. In winter, brick kiln emissions were a major source. Simultaneous measurements in Bode and Chanban (15 July-3 October 2015) revealed that the mixing ratios of CO2, CH4, and CO were 3.8, 12, and 64\% higher in Bode than Chanban. The Kathmandu Valley thus has significant emissions from local sources, which can also be attributed to its bowl-shaped geography that is conducive to pollution build-up. At Bode, all three gas species (CO2, CH4, and CO) showed strong diurnal patterns in their mixing ratios with a pronounced morning peak (ca. 08:00), a dip in the afternoon, and a gradual increase again through the night until the next morning. CH4 and CO at Chanban, however, did not show any noticeable diurnal variations. These measurements provide the first insights into the diurnal and seasonal variation in key greenhouse gases and air pollutants and their local and regional sources, which is important information for atmospheric research in the region.}, language = {en} } @article{BouaklineLorenzMelanietal.2017, author = {Bouakline, Foudhil and Lorenz, Ulrich J. and Melani, Giacomo and Paramonov, Guennaddi K. and Saalfrank, Peter}, title = {Isotopic effects in vibrational relaxation dynamics of H on a Si(100) surface}, series = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr}, volume = {147}, journal = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr}, number = {14}, publisher = {American Institute of Physics}, address = {Melville}, issn = {0021-9606}, doi = {10.1063/1.4994635}, pages = {11}, year = {2017}, abstract = {In a recent paper [U. Lorenz and P. Saalfrank, Chem. Phys. 482, 69 (2017)], we proposed a robust scheme to set up a system-bath model Hamiltonian, describing the coupling of adsorbate vibrations (system) to surface phonons (bath), from first principles. The method is based on an embedded cluster approach, using orthogonal coordinates for system and bath modes, and an anharmonic phononic expansion of the system-bath interaction up to second order. In this contribution, we use this model Hamiltonian to calculate vibrational relaxation rates of H-Si and D-Si bending modes, coupled to a fully H(D)-covered Si(100)-(2×1) surface, at zero temperature. The D-Si bending mode has an anharmonic frequency lying inside the bath frequency spectrum, whereas the H-Si bending mode frequency is outside the bath Debye band. Therefore, in the present calculations, we only take into account one-phonon system-bath couplings for the D-Si system and both one- and two-phonon interaction terms in the case of H-Si. The computation of vibrational lifetimes is performed with two different approaches, namely, Fermi's golden rule, and a generalized Bixon-Jortner model built in a restricted vibrational space of the adsorbate-surface zeroth-order Hamiltonian. For D-Si, the Bixon-Jortner Hamiltonian can be solved by exact diagonalization, serving as a benchmark, whereas for H-Si, an iterative scheme based on the recursive residue generation method is applied, with excellent convergence properties. We found that the lifetimes obtained with perturbation theory, albeit having almost the same order of magnitude—a few hundred fs for D-Si and a couple of ps for H-Si—, are strongly dependent on the discretized numerical representation of the bath spectral density. On the other hand, the Bixon-Jortner model is free of such numerical deficiencies, therefore providing better estimates of vibrational relaxation rates, at a very low computational cost. The results obtained with this model clearly show a net exponential decay of the time-dependent survival probability for the H-Si initial vibrational state, allowing an easy extraction of the bending mode "lifetime." This is in contrast with the D-Si system, whose survival probability exhibits a non-monotonic decay, making it difficult to define such a lifetime. This different behavior of the vibrational decay is rationalized in terms of the power spectrum of the adsorbate-surface system. In the case of D-Si, it consists of several, non-uniformly distributed peaks around the bending mode frequency, whereas the H-Si spectrum exhibits a single Lorentzian lineshape, whose width corresponds to the calculated lifetime. The present work gives some insight into mechanisms of vibration-phonon coupling at surfaces. It also serves as a benchmark for multidimensional system-bath quantum dynamics, for comparison with approximate schemes such as reduced, open-system density matrix theory (where the bath is traced out and a Liouville-von Neumann equation is solved) or approximate wavefunction methods to solve the combined system-bath Schr{\"o}dinger equation.}, language = {en} } @article{KayserMaturilliGrahametal.2017, author = {Kayser, Markus and Maturilli, Marion and Graham, Robert M. and Hudson, Stephen R. and Rinke, Annette and Cohen, Lana and Kim, Joo-Hong and Park, Sang-Jong and Moon, Woosok and Granskog, Mats A.}, title = {Vertical thermodynamic structure of the troposphere during the Norwegian young sea ICE expedition (N-ICE2015)}, series = {Journal of geophysical research-atmosheres}, volume = {122}, journal = {Journal of geophysical research-atmosheres}, number = {20}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-897X}, doi = {10.1002/2016JD026089}, pages = {10855 -- 10872}, year = {2017}, abstract = {The Norwegian young sea ICE (N-ICE2015) expedition was designed to investigate the atmosphere-snow-ice-ocean interactions in the young and thin sea ice regime north of Svalbard. Radiosondes were launched twice daily during the expedition from January to June 2015. Here we use these upper air measurements to study the multiple cyclonic events observed during N-ICE2015 with respect to changes in the vertical thermodynamic structure, moisture content, and boundary layer characteristics. We provide statistics of temperature inversion characteristics, static stability, and boundary layer extent. During winter, when radiative cooling is most effective, we find the strongest impact of synoptic cyclones. Changes to thermodynamic characteristics of the boundary layer are associated with transitions between the radiatively "clear" and "opaque" atmospheric states. In spring, radiative fluxes warm the surface leading to lifted temperature inversions and a statically unstable boundary layer. Further, we compare the N-ICE2015 static stability distributions to corresponding profiles from ERA-Interim reanalysis, from the closest land station in the Arctic North Atlantic sector, Ny-Alesund, and to soundings from the SHEBA expedition (1997/1998). We find similar stability characteristics for N-ICE2015 and SHEBA throughout the troposphere, despite differences in location, sea ice thickness, and snow cover. For Ny-Alesund, we observe similar characteristics above 1000 m, while the topography and ice-free fjord surrounding Ny-Alesund generate great differences below. The long-term radiosonde record (1993-2014) from Ny-Alesund indicates that during the N-ICE2015 spring period, temperatures were close to the climatological mean, while the lowest 3000 m were 1-3 degrees C warmer than the climatology during winter. Plain Language Summary The Norwegian young sea ICE (N-ICE2015) expedition was designed to investigate the atmosphere-snow-ice-ocean interactions in the young and thin sea ice regime north of Svalbard. Radiosondes were launched twice daily during the expedition from January to June 2015. Here we use these upper air measurements to study the multiple cyclonic events observed during N-ICE2015 with respect to changes in the vertical thermodynamic structure, moisture content, and the atmospheric boundary layer characteristics. During winter, we find the strongest impact of synoptic cyclones, which transport warm and moist air into the cold and dry Arctic atmosphere. In spring, incoming solar radiation warms the surface. This leads to very different thermodynamic conditions and higher moisture content, which reduces the contrast between stormy and calm periods. Further, we compare the N-ICE2015 measurements to corresponding profiles from ERA-Interim reanalysis, from the closest land station in the Arctic North Atlantic sector, Ny-Alesund, and to soundings from the SHEBA expedition (1997/1998). We find similar stability characteristics for N-ICE2015 and SHEBA throughout the troposphere, despite differences in location, sea ice thickness, and snow cover. The comparisons highlight the value of the N-ICE2015 observation and show the importance of winter time observations in the Arctic North Atlantic sector.}, language = {en} }