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2018


Thumb xl graphene silver hybrid
Graphene-silver hybrid devices for sensitive photodetection in the ultraviolet

Paria, D., Jeong, H. H., Vadakkumbatt, V., Deshpande, P., Fischer, P., Ghosh, A., Ghosh, A.

Nanoscale, 10, pages: 7685-7693, April 2018 (article)

Abstract
The weak light-matter interaction in graphene can be enhanced with a number of strategies, among which sensitization with plasmonic nanostructures is particularly attractive. This has resulted in the development of graphene-plasmonic hybrid systems with strongly enhanced photodetection efficiencies in the visible and the IR, but none in the UV. Here, we describe a silver nanoparticle-graphene stacked optoelectronic device that shows strong enhancement of its photoresponse across the entire UV spectrum. The device fabrication strategy is scalable and modular. Self-assembly techniques are combined with physical shadow growth techniques to fabricate a regular large-area array of 50 nm silver nanoparticles onto which CVD graphene is transferred. The presence of the silver nanoparticles resulted in a plasmonically enhanced photoresponse as high as 3.2 A W-1 in the wavelength range from 330 nm to 450 nm. At lower wavelengths, close to the Van Hove singularity of the density of states in graphene, we measured an even higher responsivity of 14.5 A W-1 at 280 nm, which corresponds to a more than 10 000-fold enhancement over the photoresponse of native graphene.

pf

link (url) DOI [BibTex]

2018


link (url) DOI [BibTex]


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Nanoparticles on the move for medicine

Fischer, P.

Physics World Focus on Nanotechnology, pages: 26028, (Editors: Margaret Harris), IOP Publishing Ltd and individual contributors, April 2018 (article)

Abstract
Peer Fischer outlines the prospects for creating “nanoswimmers” that can be steered through the body to deliver drugs directly to their targets Molecules don’t move very fast on their own. If they had to rely solely on diffusion – a slow and inefficient process linked to the Brownian motion of small particles and molecules in solution – then a protein mole­cule, for instance, would take around three weeks to travel a single centimetre down a nerve fibre. This is why active transport mechanisms exist in cells and in the human body: without them, all the processes of life would happen at a pace that would make snails look speedy.

pf

link (url) [BibTex]

link (url) [BibTex]


Thumb xl singh et al 2018 advanced functional materials
Photogravitactic Microswimmers

Singh, D. P., Uspal, W. E., Popescu, M. N., Wilson, L. G., Fischer, P.

Adv. Func. Mat., 28, pages: 1706660, Febuary 2018 (article)

Abstract
Abstract Phototactic microorganisms are commonly observed to respond to natural sunlight by swimming upward against gravity. This study demonstrates that synthetic photochemically active microswimmers can also swim against gravity. The particles initially sediment and, when illuminated at low light intensities exhibit wall‐bound states of motion near the bottom surface. Upon increasing the intensity of light, the artificial swimmers lift off from the wall and swim against gravity and away from the light source. This motion in the bulk has been further confirmed using holographic microscopy. A theoretical model is presented within the framework of self‐diffusiophoresis, which allows to unequivocally identify the photochemical activity and the phototactic response as key mechanisms in the observed phenomenology. Since the lift‐off threshold intensity depends on the particle size, it can be exploited to selectively address particles with the same density from a polydisperse mixture of active particles and move them in or out of the boundary region. This study provides a simple design strategy to fabricate artificial microswimmers whose two‐ or three‐dimensional swimming behavior can be controlled with light.

pf

link (url) DOI [BibTex]

link (url) DOI [BibTex]


Thumb xl matuschek et al 2018 small
Chiral Plasmonic Hydrogen Sensors

Matuschek, M., Singh, D. P., Hyeon-Ho, J., Nesterov, M., Weiss, T., Fischer, P., Neubrech, F., Na Liu, L.

Small, 14(7):1702990, Febuary 2018 (article)

Abstract
In this article, a chiral plasmonic hydrogen‐sensing platform using palladium‐based nanohelices is demonstrated. Such 3D chiral nanostructures fabricated by nanoglancing angle deposition exhibit strong circular dichroism both experimentally and theoretically. The chiroptical properties of the palladium nanohelices are altered upon hydrogen uptake and sensitively depend on the hydrogen concentration. Such properties are well suited for remote and spark‐free hydrogen sensing in the flammable range. Hysteresis is reduced, when an increasing amount of gold is utilized in the palladium‐gold hybrid helices. As a result, the linearity of the circular dichroism in response to hydrogen is significantly improved. The chiral plasmonic sensor scheme is of potential interest for hydrogen‐sensing applications, where good linearity and high sensitivity are required.

pf

link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Acoustic Fabrication via the Assembly and Fusion of Particles

Melde, K., Choi, E., Wu, Z., Palagi, S., Qiu, T., Fischer, P.

Advanced Materials, 30(3):1704507, January 2018 (article)

Abstract
Acoustic assembly promises a route toward rapid parallel fabrication of whole objects directly from solution. This study reports the contact-free and maskless assembly, and fixing of silicone particles into arbitrary 2D shapes using ultrasound fields. Ultrasound passes through an acoustic hologram to form a target image. The particles assemble from a suspension along lines of high pressure in the image due to acoustic radiation forces and are then fixed (crosslinked) in a UV-triggered reaction. For this, the particles are loaded with a photoinitiator by solvent-induced swelling. This localizes the reaction and allows the bulk suspension to be reused. The final fabricated parts are mechanically stable and self-supporting.

pf

link (url) DOI Project Page [BibTex]


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Gaussian Processes and Kernel Methods: A Review on Connections and Equivalences

Kanagawa, M., Hennig, P., Sejdinovic, D., Sriperumbudur, B. K.

Arxiv e-prints, arXiv:1805.08845v1 [stat.ML], 2018 (article)

Abstract
This paper is an attempt to bridge the conceptual gaps between researchers working on the two widely used approaches based on positive definite kernels: Bayesian learning or inference using Gaussian processes on the one side, and frequentist kernel methods based on reproducing kernel Hilbert spaces on the other. It is widely known in machine learning that these two formalisms are closely related; for instance, the estimator of kernel ridge regression is identical to the posterior mean of Gaussian process regression. However, they have been studied and developed almost independently by two essentially separate communities, and this makes it difficult to seamlessly transfer results between them. Our aim is to overcome this potential difficulty. To this end, we review several old and new results and concepts from either side, and juxtapose algorithmic quantities from each framework to highlight close similarities. We also provide discussions on subtle philosophical and theoretical differences between the two approaches.

pn

arXiv [BibTex]

arXiv [BibTex]


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Numerical Quadrature for Probabilistic Policy Search

Vinogradska, J., Bischoff, B., Achterhold, J., Koller, T., Peters, J.

IEEE Transactions on Pattern Analysis and Machine Intelligence, pages: 1-1, 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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Transmission x-ray microscopy at low temperatures: Irregular supercurrent flow at small length scales

Simmendinger, J., Ruoss, S., Stahl, C., Weigand, M., Gräfe, J., Schütz, G., Albrecht, J.

{Physical Review B}, 97(13), American Physical Society, Woodbury, NY, 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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Counterfactual Mean Embedding: A Kernel Method for Nonparametric Causal Inference

Muandet, K., Kanagawa, M., Saengkyongam, S., Marukata, S.

Arxiv e-prints, arXiv:1805.08845v1 [stat.ML], 2018 (article)

Abstract
This paper introduces a novel Hilbert space representation of a counterfactual distribution---called counterfactual mean embedding (CME)---with applications in nonparametric causal inference. Counterfactual prediction has become an ubiquitous tool in machine learning applications, such as online advertisement, recommendation systems, and medical diagnosis, whose performance relies on certain interventions. To infer the outcomes of such interventions, we propose to embed the associated counterfactual distribution into a reproducing kernel Hilbert space (RKHS) endowed with a positive definite kernel. Under appropriate assumptions, the CME allows us to perform causal inference over the entire landscape of the counterfactual distribution. The CME can be estimated consistently from observational data without requiring any parametric assumption about the underlying distributions. We also derive a rate of convergence which depends on the smoothness of the conditional mean and the Radon-Nikodym derivative of the underlying marginal distributions. Our framework can deal with not only real-valued outcome, but potentially also more complex and structured outcomes such as images, sequences, and graphs. Lastly, our experimental results on off-policy evaluation tasks demonstrate the advantages of the proposed estimator.

ei pn

arXiv [BibTex]

arXiv [BibTex]


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Model-based Kernel Sum Rule: Kernel Bayesian Inference with Probabilistic Models

Nishiyama, Y., Kanagawa, M., Gretton, A., Fukumizu, K.

Arxiv e-prints, arXiv:1409.5178v2 [stat.ML], 2018 (article)

Abstract
Kernel Bayesian inference is a powerful nonparametric approach to performing Bayesian inference in reproducing kernel Hilbert spaces or feature spaces. In this approach, kernel means are estimated instead of probability distributions, and these estimates can be used for subsequent probabilistic operations (as for inference in graphical models) or in computing the expectations of smooth functions, for instance. Various algorithms for kernel Bayesian inference have been obtained by combining basic rules such as the kernel sum rule (KSR), kernel chain rule, kernel product rule and kernel Bayes' rule. However, the current framework only deals with fully nonparametric inference (i.e., all conditional relations are learned nonparametrically), and it does not allow for flexible combinations of nonparametric and parametric inference, which are practically important. Our contribution is in providing a novel technique to realize such combinations. We introduce a new KSR referred to as the model-based KSR (Mb-KSR), which employs the sum rule in feature spaces under a parametric setting. Incorporating the Mb-KSR into existing kernel Bayesian framework provides a richer framework for hybrid (nonparametric and parametric) kernel Bayesian inference. As a practical application, we propose a novel filtering algorithm for state space models based on the Mb-KSR, which combines the nonparametric learning of an observation process using kernel mean embedding and the additive Gaussian noise model for a state transition process. While we focus on additive Gaussian noise models in this study, the idea can be extended to other noise models, such as the Cauchy and alpha-stable noise models.

pn

arXiv [BibTex]

arXiv [BibTex]


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Assessment methodology of promising porous materials for near ambient temperature hydrogen storage applications

Minuto, F. D., Balderas-Xicohténcatl, R., Policicchio, A., Hirscher, M., Agostino, R. G.

{International Journal of Hydrogen Energy}, 43(31):14550-14556, Elsevier, Amsterdam, 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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A probabilistic model for the numerical solution of initial value problems

Schober, M., Särkkä, S., Philipp Hennig,

Statistics and Computing, Springer US, 2018 (article)

Abstract
We study connections between ordinary differential equation (ODE) solvers and probabilistic regression methods in statistics. We provide a new view of probabilistic ODE solvers as active inference agents operating on stochastic differential equation models that estimate the unknown initial value problem (IVP) solution from approximate observations of the solution derivative, as provided by the ODE dynamics. Adding to this picture, we show that several multistep methods of Nordsieck form can be recast as Kalman filtering on q-times integrated Wiener processes. Doing so provides a family of IVP solvers that return a Gaussian posterior measure, rather than a point estimate. We show that some such methods have low computational overhead, nontrivial convergence order, and that the posterior has a calibrated concentration rate. Additionally, we suggest a step size adaptation algorithm which completes the proposed method to a practically useful implementation, which we experimentally evaluate using a representative set of standard codes in the DETEST benchmark set.

pn

PDF Code DOI Project Page [BibTex]


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Incorporation of Terbium into a Microalga Leads to Magnetotactic Swimmers

Santomauro, G., Singh, A., Park, B. W., Mohammadrahimi, M., Erkoc, P., Goering, E., Schütz, G., Sitti, M., Bill, J.

Advanced Biosystems, 2(12):1800039, 2018 (article)

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[BibTex]

[BibTex]


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Thermodynamics, kinetics and selectivity of H2 and D2 on zeolite 5A below 77K

Xiong, R., Balderas-Xicohténcatl, R., Zhang, L., Li, P., Yao, Y., Sang, G., Chen, C., Tang, T., Luo, D., Hirscher, M.

{Microporous and Mesoporous Materials}, 264, pages: 22-27, Elsevier, Amsterdam, 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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Volumetric hydrogen storage capacity in metal-organic frameworks

Balderas-Xicohténcatl, R., Schlichtenmayer, M., Hirscher, M.

{Energy Technology}, 6(3):578-582, Wiley-VCH, Weinheim, 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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3D nanoprinted plastic kinoform x-ray optics

Sanli, U. T., Ceylan, H., Bykova, I., Weigand, M., Sitti, M., Schütz, G., Keskinbora, K.

{Advanced Materials}, 30(36), Wiley-VCH, Weinheim, 2018 (article)

mms pi

DOI [BibTex]

DOI [BibTex]


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High volumetric hydrogen storage capacity using interpenetrated metal-organic frameworks

Balderas-Xicohténcatl, R., Schmieder, P., Denysenko, D., Volkmer, D., Hirscher, M.

{Energy Technology}, 6(3):510-512, Wiley-VCH, Weinheim, 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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Thick permalloy films for the imaging of spin texture dynamics in perpendicularly magnetized systems

Finizio, S., Wintz, S., Bracher, D., Kirk, E., Semisalova, A. S., Förster, J., Zeissler, K., We\ssels, T., Weigand, M., Lenz, K., Kleibert, A., Raabe, J.

{Physical Review B}, 98(10), American Physical Society, Woodbury, NY, 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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Dynamic Janus metasurfaces in the visible spectral region

Yu, P., Li, J., Zhang, S., Jin, Z., Schütz, G., Qiu, C., Hirscher, M., Liu, N.

{Nano Letters}, 18(7):4584-4589, American Chemical Society, Washington, DC, 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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Review of ultrafast demagnetization after femtosecond laser pulses: A complex interaction of light with quantum matter

Fähnle, M., Haag, M., Illg, C., Müller, B. Y., Weng, W., Tsatsoulis, T., Huang, H., Briones Paz, J. Z., Teeny, N., Zhang, L., Kuhn, T.

{American Journal of Modern Physics}, 7(2):68-74, Science Publishing Group, New York, NY, 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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Direct observation of Zhang-Li torque expansion of magnetic droplet solitons

Chung, S., Tuan Le, Q., Ahlberg, M., Awad, A. A., Weigand, M., Bykova, I., Khymyn, R., Dvornik, M., Mazraati, H., Houshang, A., Jiang, S., Nguyen, T. N. A., Goering, E., Schütz, G., Gräfe, J., \AAkerman, J.

{Physical Review Letters}, 120(21), American Physical Society, Woodbury, N.Y., 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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Current-induced skyrmion generation through morphological thermal transitions in chiral ferromagnetic heterostructures

Lemesh, I., Litzius, K., Böttcher, M., Bassirian, P., Kerber, N., Heinze, D., Zázvorka, J., Büttner, F., Caretta, L., Mann, M., Weigand, M., Finizio, S., Raabe, J., Im, M., Stoll, H., Schütz, G., Dupé, B., Kläui, M., Beach, G. S. D.

{Advanced Materials}, 30(49), Wiley-VCH, Weinheim, 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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3d nanofabrication of high-resolution multilayer Fresnel zone plates

Sanli, U. T., Jiao, C., Baluktsian, M., Grévent, C., Hahn, K., Wang, Y., Srot, V., Richter, G., Bykova, I., Weigand, M., Schütz, G., Keskinbora, K.

{Advanced Science}, 5(9), Wiley-VCH, Weinheim, 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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Photocatalytic CO2 reduction by Cr-substituted Ba2(In2-xCrx)O5\mbox⋅(H2O)δ(0.04 ≤x ≤0.60)

Yoon, S., Gaul, M., Sharma, S., Son, K., Hagemann, H., Ziegenbalg, D., Schwingenschlogl, U., Widenmeyer, M., Weidenkaff, A.

{Solid State Sciences}, 78, pages: 22-29, Elsevier Masson SAS, Paris, 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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Correction of axial position uncertainty and systematic detector errors in ptychographic diffraction imaging

Loetgering, L., Rose, M., Keskinbora, K., Baluktsian, M., Dogan, G., Sanli, U., Bykova, I., Weigand, M., Schütz, G., Wilhein, T.

{Optical Engineering}, 57(8), The Society, Redondo Beach, Calif., 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


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The role of surface oxides on hydrogen sorption kinetics in titanium thin films

Hadjixenophontos, E., Michalek, L., Roussel, M., Hirscher, M., Schmitz, G.

{Applied Surface Science}, 441, pages: 324-330, Elsevier B.V., Amsterdam, 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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Ferromagnetism in nitrogen and fluorine substituted BaTiO3

Yoon, S., Son, K., Ebbinghaus, S. G., Widenmeyer, M., Weidenkaff, A.

{Journal of Alloys and Compounds}, 749, pages: 628-633, Elsevier B.V., Lausanne, Switzerland, 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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New concepts for 3d optics in x-ray microscopy

Sanli, U., Ceylan, H., Jiao, C., Baluktsian, M., Grevent, C., Hahn, K., Wang, Y., Srot, V., Richter, G., Bykova, I., Weigand, M., Sitti, M., Schütz, G., Keskinbora, K.

{Microscopy and Microanalysis}, 24(Suppl 2):288-289, Cambridge University Press, New York, NY, 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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Spin-wave interference in magnetic vortex stacks

Behncke, C., Adolff, C. F., Lenzing, N., Hänze, M., Schulte, B., Weigand, M., Schütz, G., Meier, G.

{Communications Physics}, 1, Nature Publishing Group, London, 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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High-throughput synthesis of modified Fresnel zone plate arrays via ion beam lithography

Keskinbora, K., Sanli, U. T., Baluktsian, M., Grévent, C., Weigand, M., Schütz, G.

{Beilstein Journal of Nanotechnology}, 9, pages: 2049-2056, Beilstein-Institut, Frankfurt am Main, 2018 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Deterministic creation and deletion of a single magnetic skyrmion observed by direct time-resolved X-ray microscopy

Woo, S., Song, K. M., Zhang, X., Ezawa, M., Zhou, Y., Liu, X., Weigand, M., Finizio, S., Raabe, J., Park, M.-C., Lee, K.-Y., Choi, J. W., Min, B.-C., Koo, H. C., Chang, J.

{Nature Electronics}, 1(5):288-296, Springer Nature, London, 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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Magnetic skyrmion as a nonlinear resistive element: A potential building block for reservoir computing

Prychynenko, D., Sitte, M., Litzius, K., Krüger, B., Bourianoff, G., Kläui, M., Sinova, J., Everschor-Sitte, K.

{Physical Review Applied}, 9(1), American Physical Society, College Park, Md. [u.a.], 2018 (article)

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DOI [BibTex]

DOI [BibTex]


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Tunable geometrical frustration in magnoic vortex crystals

Behncke, C., Adolff, C. F., Wintz, S., Hänze, M., Schulte, B., Weigand, M., Finizio, S., Raabe, J., Meier, G.

{Scientific Reports}, 8, Nature Publishing Group, London, UK, 2018 (article)

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DOI [BibTex]

DOI [BibTex]

2017


Thumb xl fig1
Active colloidal propulsion over a crystalline surface

Choudhury, U., Straube, A., Fischer, P., Gibbs, J., Höfling, F.

New Journal of Physics, 19, pages: 125010, December 2017 (article)

Abstract
We study both experimentally and theoretically the dynamics of chemically self-propelled Janus colloids moving atop a two-dimensional crystalline surface. The surface is a hexagonally close-packed monolayer of colloidal particles of the same size as the mobile one. The dynamics of the self-propelled colloid reflects the competition between hindered diffusion due to the periodic surface and enhanced diffusion due to active motion. Which contribution dominates depends on the propulsion strength, which can be systematically tuned by changing the concentration of a chemical fuel. The mean-square displacements obtained from the experiment exhibit enhanced diffusion at long lag times. Our experimental data are consistent with a Langevin model for the effectively two-dimensional translational motion of an active Brownian particle in a periodic potential, combining the confining effects of gravity and the crystalline surface with the free rotational diffusion of the colloid. Approximate analytical predictions are made for the mean-square displacement describing the crossover from free Brownian motion at short times to active diffusion at long times. The results are in semi-quantitative agreement with numerical results of a refined Langevin model that treats translational and rotational degrees of freedom on the same footing.

pf

link (url) DOI [BibTex]

2017


link (url) DOI [BibTex]


Thumb xl fig1
Wireless Acoustic-Surface Actuators for Miniaturized Endoscopes

Qiu, T., Adams, F., Palagi, S., Melde, K., Mark, A. G., Wetterauer, U., Miernik, A., Fischer, P.

ACS Applied Materials & Interfaces, 9(49):42536 - 42543, November 2017 (article)

Abstract
Endoscopy enables minimally invasive procedures in many medical fields, such as urology. However, current endoscopes are normally cable-driven, which limits their dexterity and makes them hard to miniaturize. Indeed current urological endoscopes have an outer diameter of about 3 mm and still only possess one bending degree of freedom. In this paper, we report a novel wireless actuation mechanism that increases the dexterity and that permits the miniaturization of a urological endoscope. The novel actuator consists of thin active surfaces that can be readily attached to any device and are wirelessly powered by ultrasound. The surfaces consist of two-dimensional arrays of micro-bubbles, which oscillate under ultrasound excitation and thereby generate an acoustic streaming force. Bubbles of different sizes are addressed by their unique resonance frequency, thus multiple degrees of freedom can readily be incorporated. Two active miniaturized devices (with a side length of around 1 mm) are demonstrated: a miniaturized mechanical arm that realizes two degrees of freedom, and a flexible endoscope prototype equipped with a camera at the tip. With the flexible endoscope, an active endoscopic examination is successfully performed in a rabbit bladder. This results show the potential medical applicability of surface actuators wirelessly powered by ultrasound penetrating through biological tissues.

pf

link (url) DOI Project Page [BibTex]

link (url) DOI Project Page [BibTex]


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Probabilistic Line Searches for Stochastic Optimization

Mahsereci, M., Hennig, P.

Journal of Machine Learning Research, 18(119):1-59, November 2017 (article)

pn

link (url) Project Page [BibTex]

link (url) Project Page [BibTex]


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Active Acoustic Surfaces Enable the Propulsion of a Wireless Robot

Qiu, T., Palagi, S., Mark, A. G., Melde, K., Adams, F., Fischer, P.

Advanced Materials Interfaces, 4(21):1700933, September 2017 (article)

Abstract
A major challenge that prevents the miniaturization of mechanically actuated systems is the lack of suitable methods that permit the efficient transfer of power to small scales. Acoustic energy holds great potential, as it is wireless, penetrates deep into biological tissues, and the mechanical vibrations can be directly converted into directional forces. Recently, active acoustic surfaces are developed that consist of 2D arrays of microcavities holding microbubbles that can be excited with an external acoustic field. At resonance, the surfaces give rise to acoustic streaming and thus provide a highly directional propulsive force. Here, this study advances these wireless surface actuators by studying their force output as the size of the bubble-array is increased. In particular, a general method is reported to dramatically improve the propulsive force, demonstrating that the surface actuators are actually able to propel centimeter-scale devices. To prove the flexibility of the functional surfaces as wireless ready-to-attach actuator, a mobile mini-robot capable of propulsion in water along multiple directions is presented. This work paves the way toward effectively exploiting acoustic surfaces as a novel wireless actuation scheme at small scales.

pf

link (url) DOI Project Page [BibTex]


Thumb xl jeong et al 2017 advanced science
Corrosion-Protected Hybrid Nanoparticles

Jeong, H. H., Alarcon-Correa, M., Mark, A. G., Son, K., Lee, T., Fischer, P.

Advanced Science, 4(12):1700234, September 2017 (article)

Abstract
Nanoparticles composed of functional materials hold great promise for applications due to their unique electronic, optical, magnetic, and catalytic properties. However, a number of functional materials are not only difficult to fabricate at the nanoscale, but are also chemically unstable in solution. Hence, protecting nanoparticles from corrosion is a major challenge for those applications that require stability in aqueous solutions and biological fluids. Here, this study presents a generic scheme to grow hybrid 3D nanoparticles that are completely encapsulated by a nm thick protective shell. The method consists of vacuum-based growth and protection, and combines oblique physical vapor deposition with atomic layer deposition. It provides wide flexibility in the shape and composition of the nanoparticles, and the environments against which particles are protected. The work demonstrates the approach with multifunctional nanoparticles possessing ferromagnetic, plasmonic, and chiral properties. The present scheme allows nanocolloids, which immediately corrode without protection, to remain functional, at least for a week, in acidic solutions.

pf

link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Non-Equilibrium Assembly of Light-Activated Colloidal Mixtures

Singh, D. P., Choudhury, U., Fischer, P., Mark, A. G.

Advanced Materials, 29, pages: 1701328, June 2017, 32 (article)

Abstract
The collective phenomena exhibited by artificial active matter systems present novel routes to fabricating out-of-equilibrium microscale assemblies. Here, the crystallization of passive silica colloids into well-controlled 2D assemblies is shown, which is directed by a small number of self-propelled active colloids. The active colloids are titania–silica Janus particles that are propelled when illuminated by UV light. The strength of the attractive interaction and thus the extent of the assembled clusters can be regulated by the light intensity. A remarkably small number of the active colloids is sufficient to induce the assembly of the dynamic crystals. The approach produces rationally designed colloidal clusters and crystals with controllable sizes, shapes, and symmetries. This multicomponent active matter system offers the possibility of obtaining structures and assemblies that cannot be found in equilibrium systems.

pf

link (url) DOI [BibTex]


Thumb xl kim et al 2017 advanced materials
Nanodiamonds That Swim

Kim, J. T., Choudhury, U., Hyeon-Ho, J., Fischer, P.

Advanced Materials, 29(30):1701024, June 2017, Back Cover (article)

Abstract
Nanodiamonds are emerging as nanoscale quantum probes for bio-sensing and imaging. This necessitates the development of new methods to accurately manipulate their position and orientation in aqueous solutions. The realization of an “active” nanodiamond (ND) swimmer in fluids, composed of a ND crystal containing nitrogen vacancy centers and a light-driven self-thermophoretic micromotor, is reported. The swimmer is propelled by a local temperature gradient created by laser illumination on its metal-coated side. Its locomotion—from translational to rotational motion—is successfully controlled by shape-dependent hydrodynamic interactions. The precise engineering of the swimmer's geometry is achieved by self-assembly combined with physical vapor shadow growth. The optical addressability of the suspended ND swimmers is demonstrated by observing the electron spin resonance in the presence of magnetic fields. Active motion at the nanoscale enables new sensing capabilities combined with active transport including, potentially, in living organisms.

pf

link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Soft 3D-Printed Phantom of the Human Kidney with Collecting System

Adams, F., Qiu, T., Mark, A., Fritz, B., Kramer, L., Schlager, D., Wetterauer, U., Miernik, A., Fischer, P.

Ann. of Biomed. Eng., 45(4):963-972, April 2017 (article)

Abstract
Organ models are used for planning and simulation of operations, developing new surgical instruments, and training purposes. There is a substantial demand for in vitro organ phantoms, especially in urological surgery. Animal models and existing simulator systems poorly mimic the detailed morphology and the physical properties of human organs. In this paper, we report a novel fabrication process to make a human kidney phantom with realistic anatomical structures and physical properties. The detailed anatomical structure was directly acquired from high resolution CT data sets of human cadaveric kidneys. The soft phantoms were constructed using a novel technique that combines 3D wax printing and polymer molding. Anatomical details and material properties of the phantoms were validated in detail by CT scan, ultrasound, and endoscopy. CT reconstruction, ultrasound examination, and endoscopy showed that the designed phantom mimics a real kidney's detailed anatomy and correctly corresponds to the targeted human cadaver's upper urinary tract. Soft materials with a tensile modulus of 0.8-1.5 MPa as well as biocompatible hydrogels were used to mimic human kidney tissues. We developed a method of constructing 3D organ models from medical imaging data using a 3D wax printing and molding process. This method is cost-effective means for obtaining a reproducible and robust model suitable for surgical simulation and training purposes.

pf

DOI Project Page [BibTex]

DOI Project Page [BibTex]


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Pattern formation and collective effects in populations of magnetic microswimmers

Vach, P. J., (Walker) Schamel, D., Fischer, P., Fratzl, P., Faivre, D.

J. of Phys. D: Appl. Phys., 50(11):11LT03, Febuary 2017 (article)

Abstract
Self-propelled particles are one prototype of synthetic active matter used to understand complex biological processes, such as the coordination of movement in bacterial colonies or schools of fishes. Collective patterns such as clusters were observed for such systems, reproducing features of biological organization. However, one limitation of this model is that the synthetic assemblies are made of identical individuals. Here we introduce an active system based on magnetic particles at colloidal scales. We use identical but also randomly-shaped magnetic micropropellers and show that they exhibit dynamic and reversible pattern formation.

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DOI [BibTex]

DOI [BibTex]


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On-chip enzymatic microbiofuel cell-powered integrated circuits

Mark, A. G., Suraniti, E., Roche, J., Richter, H., Kuhn, A., Mano, N., Fischer, P.

Lab on a Chip, 17(10):1761-1768, Febuary 2017, Recent HOT Article (article)

Abstract
A variety of diagnostic and therapeutic medical technologies rely on long term implantation of an electronic device to monitor or regulate a patient's condition. One proposed approach to powering these devices is to use a biofuel cell to convert the chemical energy from blood nutrients into electrical current to supply the electronics. We present here an enzymatic microbiofuel cell whose electrodes are directly integrated into a digital electronic circuit. Glucose oxidizing and oxygen reducing enzymes are immobilized on microelectrodes of an application specific integrated circuit (ASIC) using redox hydrogels to produce an enzymatic biofuel cell, capable of harvesting electrical power from just a single droplet of 5 mM glucose solution. Optimisation of the fuel cell voltage and power to match the requirements of the electronics allow self-powered operation of the on-board digital circuitry. This study represents a step towards implantable self-powered electronic devices that gather their energy from physiological fluids.

Recent HOT Article.

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DOI [BibTex]

DOI [BibTex]


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Strong Rotational Anisotropies Affect Nonlinear Chiral Metamaterials

Hooper, D. C., Mark, A. G., Kuppe, C., Collins, J. T., Fischer, P., Valev, V. K.

Advanced Materials, 29(13):1605110, January 2017 (article)

Abstract
Masked by rotational anisotropies, the nonlinear chiroptical response of a metamaterial is initially completely inaccessible. Upon rotating the sample the chiral information emerges. These results highlight the need for a general method to extract the true chiral contributions to the nonlinear optical signal, which would be hugely valuable in the present context of increasingly complex chiral meta/nanomaterials.

pf

DOI [BibTex]

DOI [BibTex]


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Early Stopping Without a Validation Set

Mahsereci, M., Balles, L., Lassner, C., Hennig, P.

arXiv preprint arXiv:1703.09580, 2017 (article)

Abstract
Early stopping is a widely used technique to prevent poor generalization performance when training an over-expressive model by means of gradient-based optimization. To find a good point to halt the optimizer, a common practice is to split the dataset into a training and a smaller validation set to obtain an ongoing estimate of the generalization performance. In this paper we propose a novel early stopping criterion which is based on fast-to-compute, local statistics of the computed gradients and entirely removes the need for a held-out validation set. Our experiments show that this is a viable approach in the setting of least-squares and logistic regression as well as neural networks.

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link (url) Project Page Project Page [BibTex]


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Krylov Subspace Recycling for Fast Iterative Least-Squares in Machine Learning

Roos, F. D., Hennig, P.

arXiv preprint arXiv:1706.00241, 2017 (article)

Abstract
Solving symmetric positive definite linear problems is a fundamental computational task in machine learning. The exact solution, famously, is cubicly expensive in the size of the matrix. To alleviate this problem, several linear-time approximations, such as spectral and inducing-point methods, have been suggested and are now in wide use. These are low-rank approximations that choose the low-rank space a priori and do not refine it over time. While this allows linear cost in the data-set size, it also causes a finite, uncorrected approximation error. Authors from numerical linear algebra have explored ways to iteratively refine such low-rank approximations, at a cost of a small number of matrix-vector multiplications. This idea is particularly interesting in the many situations in machine learning where one has to solve a sequence of related symmetric positive definite linear problems. From the machine learning perspective, such deflation methods can be interpreted as transfer learning of a low-rank approximation across a time-series of numerical tasks. We study the use of such methods for our field. Our empirical results show that, on regression and classification problems of intermediate size, this approach can interpolate between low computational cost and numerical precision.

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link (url) Project Page [BibTex]


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Convergence Analysis of Deterministic Kernel-Based Quadrature Rules in Misspecified Settings

Kanagawa, M., Sriperumbudur, B. K., Fukumizu, K.

Arxiv e-prints, arXiv:1709.00147v1 [math.NA], 2017 (article)

Abstract
This paper presents convergence analysis of kernel-based quadrature rules in misspecified settings, focusing on deterministic quadrature in Sobolev spaces. In particular, we deal with misspecified settings where a test integrand is less smooth than a Sobolev RKHS based on which a quadrature rule is constructed. We provide convergence guarantees based on two different assumptions on a quadrature rule: one on quadrature weights, and the other on design points. More precisely, we show that convergence rates can be derived (i) if the sum of absolute weights remains constant (or does not increase quickly), or (ii) if the minimum distance between distance design points does not decrease very quickly. As a consequence of the latter result, we derive a rate of convergence for Bayesian quadrature in misspecified settings. We reveal a condition on design points to make Bayesian quadrature robust to misspecification, and show that, under this condition, it may adaptively achieve the optimal rate of convergence in the Sobolev space of a lesser order (i.e., of the unknown smoothness of a test integrand), under a slightly stronger regularity condition on the integrand.

pn

arXiv [BibTex]

arXiv [BibTex]


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Functionalised metal-organic frameworks: a novel approach to stabilising single metal atoms

Szilágyi, P. Á., Rogers, D. M., Zaiser, I., Callini, E., Turner, S., Borgschulte, A., Züttel, A., Geerlings, H., Hirscher, M., Dam, B.

{Journal of Materials Chemistry A}, 5(30):15559-15566, Royal Society of Chemistry, Cambridge, UK, 2017 (article)

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DOI [BibTex]

DOI [BibTex]


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Exploiting diffusion barrier and chemical affinity of metal-organic frameworks for efficient hydrogen isotope separation

Kim, J. Y., Balderas-Xicohténcatl, R., Zhang, L., Kang, S. G., Hirscher, M., Oh, H., Moon, H. R.

{Journal of the American Chemical Society}, 139(42):15135-15141, American Chemical Society, Washington, DC, 2017 (article)

mms

DOI [BibTex]

DOI [BibTex]