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2019


Soft-magnetic coatings as possible sensors for magnetic imaging of superconductors
Soft-magnetic coatings as possible sensors for magnetic imaging of superconductors

Ionescu, A., Simmendinger, J., Bihler, M., Miksch, C., Fischer, P., Soltan, S., Schütz, G., Albrecht, J.

Supercond. Sci. and Tech., 33, pages: 015002, IOP, December 2019 (article)

Abstract
Magnetic imaging of superconductors typically requires a soft-magnetic material placed on top of the superconductor to probe local magnetic fields. For reasonable results the influence of the magnet onto the superconductor has to be small. Thin YBCO films with soft-magnetic coatings are investigated using SQUID magnetometry. Detailed measurements of the magnetic moment as a function of temperature, magnetic field and time have been performed for different heterostructures. It is found that the modification of the superconducting transport in these heterostructures strongly depends on the magnetic and structural properties of the soft-magnetic material. This effect is especially pronounced for an inhomogeneous coating consisting of ferromagnetic nanoparticles.

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link (url) DOI [BibTex]

2019


link (url) DOI [BibTex]


Implementation of a 6-{DOF} Parallel Continuum Manipulator for Delivering Fingertip Tactile Cues
Implementation of a 6-DOF Parallel Continuum Manipulator for Delivering Fingertip Tactile Cues

Young, E. M., Kuchenbecker, K. J.

IEEE Transactions on Haptics, 12(3):295-306, June 2019 (article)

Abstract
Existing fingertip haptic devices can deliver different subsets of tactile cues in a compact package, but we have not yet seen a wearable six-degree-of-freedom (6-DOF) display. This paper presents the Fuppeteer (short for Fingertip Puppeteer), a device that is capable of controlling the position and orientation of a flat platform, such that any combination of normal and shear force can be delivered at any location on any human fingertip. We build on our previous work of designing a parallel continuum manipulator for fingertip haptics by presenting a motorized version in which six flexible Nitinol wires are actuated via independent roller mechanisms and proportional-derivative controllers. We evaluate the settling time and end-effector vibrations observed during system responses to step inputs. After creating a six-dimensional lookup table and adjusting simulated inputs using measured Jacobians, we show that the device can make contact with all parts of the fingertip with a mean error of 1.42 mm. Finally, we present results from a human-subject study. A total of 24 users discerned 9 evenly distributed contact locations with an average accuracy of 80.5%. Translational and rotational shear cues were identified reasonably well near the center of the fingertip and more poorly around the edges.

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DOI [BibTex]


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How Does It Feel to Clap Hands with a Robot?

Fitter, N. T., Kuchenbecker, K. J.

International Journal of Social Robotics, 2019 (article) Accepted

Abstract
Future robots may need lighthearted physical interaction capabilities to connect with people in meaningful ways. To begin exploring how users perceive playful human–robot hand-to-hand interaction, we conducted a study with 20 participants. Each user played simple hand-clapping games with the Rethink Robotics Baxter Research Robot during a 1-h-long session involving 24 randomly ordered conditions that varied in facial reactivity, physical reactivity, arm stiffness, and clapping tempo. Survey data and experiment recordings demonstrate that this interaction is viable: all users successfully completed the experiment and mentioned enjoying at least one game without prompting. Hand-clapping tempo was highly salient to users, and human-like robot errors were more widely accepted than mechanical errors. Furthermore, perceptions of Baxter varied in the following statistically significant ways: facial reactivity increased the robot’s perceived pleasantness and energeticness; physical reactivity decreased pleasantness, energeticness, and dominance; higher arm stiffness increased safety and decreased dominance; and faster tempo increased energeticness and increased dominance. These findings can motivate and guide roboticists who want to design social–physical human–robot interactions.

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[BibTex]

[BibTex]


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X-ray Optics Fabrication Using Unorthodox Approaches

Sanli, U., Baluktsian, M., Ceylan, H., Sitti, M., Weigand, M., Schütz, G., Keskinbora, K.

Bulletin of the American Physical Society, APS, 2019 (article)

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[BibTex]

[BibTex]


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Nanoscale detection of spin wave deflection angles in permalloy

Gross, F., Träger, N., Förster, J., Weigand, M., Schütz, G., Gräfe, J.

{Applied Physics Letters}, 114(1), American Institute of Physics, Melville, NY, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Generation of switchable singular beams with dynamic metasurfaces

Yu, P., Li, J., Li, X., Schütz, G., Hirscher, M., Zhang, S., Liu, N.

{ACS Nano}, 13(6):7100-7106, American Chemical Society, Washington, DC, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Extracting the dynamic magnetic contrast in time-resolved X-ray transmission microscopy

Schaffers, T., Feggeler, T., Pile, S., Meckenstock, R., Buchner, M., Spoddig, D., Ney, V., Farle, M., Wende, H., Wintz, S., Weigand, M., Ohldag, H., Ollefs, K, Ney, A.

{Nanomaterials}, 9(7), MDPI, Basel, Schweiz, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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gFORC: A graphics processing unit accelerated first-order reversal-curve calculator

Groß, F., Mart\’\inez-Garc\’\ia, J. C., Ilse, S. E., Schütz, G., Goering, E., Rivas, M., Gräfe, J.

{Journal of Applied Physics}, 126(16), AIP Publishing, New York, NY, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Piezo-electrical control of gyration dynamics of magnetic vortices

Filianina, M., Baldrati, L., Hajiri, T., Litzius, K., Foerster, M., Aballe, L., Kläui, M.

{Applied Physics Letters}, 115(6), American Institute of Physics, Melville, NY, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Barely porous organic cages for hydrogen isotrope separation

Liu, M., Zhang, L., Little, M. A., Kapil, V., Ceriotti, M., Yang, S., Ding, L., Holden, D. L., Balderas-Xicohténcatl, R., He, D., Clowes, R., Chong, S. Y., Schütz, G., Chen, L., Hirscher, M., Cooper, A. I.

{Science}, 366(6465):613-620, American Association for the Advancement of Science, Washington, D.C., 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Direct observation of coherent magnons with suboptical wavelengths in a single-crystalline ferrimagnetic insulator

Förster, J., Gräfe, J., Bailey, J., Finizio, S., Träger, N., Groß, F., Mayr, S., Stoll, H., Dubs, C., Surzhenko, O., Liebing, N., Woltersdorf, G., Raabe, J., Weigand, M., Schütz, G., Wintz, S.

{Physical Review B}, 100(21), American Physical Society, Woodbury, NY, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Magnetically induced anisotropy of flux penetration into strong-pinning superconductor/ferromagnet bilayers

Simmendinger, J., Hänisch, J., Bihler, M., Ionescu, A. M., Weigand, M., Sieger, M., Hühne, R., Rijckaert, H., van Driessche, I., Schütz, G., Albrecht, J.

{New Journal of Physics}, 21, IOP Publishing, Bristol, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Coherent excitation of heterosymmetric spin waves with ultrashort wavelengths

Dieterle, G., Förster, J., Stoll, H., Semisalova, A. S., Finizio, S., Gangwar, A., Weigand, M., Noske, M., Fähnle, M., Bykova, I., Gräfe, J., Bozhko, D. A., Musiienko-Shmarova, H. Y., Tiberkevich, V., Slavin, A. N., Back, C. H., Raabe, J., Schütz, G., Wintz, S.

{Physical Review Letters}, 122(11), American Physical Society, Woodbury, N.Y., 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Reprogrammability and Scalability of Magnonic Fibonacci Quasicrystals

Lisiecki, F., Rychły, J., Kuświk, P., Głowiński, H., Kłos, J. W., Groß, F., Bykova, I., Weigand, M., Zelent, M., Goering, E. J., Schütz, G., Gubbiotti, G., Krawczyk, M., Stobiecki, F., Dubowik, J., Gräfe, J.

Physical Review Applied, 11, pages: 054003, 2019 (article)

Abstract
Magnonic crystals are systems that can be used to design and tune the dynamic properties of magnetization. Here, we focus on one-dimensional Fibonacci magnonic quasicrystals. We confirm the existence of collective spin waves propagating through the structure as well as dispersionless modes; the reprogammability of the resonance frequencies, dependent on the magnetization order; and dynamic spin-wave interactions. With the fundamental understanding of these properties, we lay a foundation for the scalable and advanced design of spin-wave band structures for spintronic, microwave, and magnonic applications.

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link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Coordinated molecule-modulated magnetic phase with metamagnetism in metal-organic frameworks

Son, K., Kim, J. Y., Schütz, G., Kang, S. G., Moon, H. R., Oh, H.

{Inorganic Chemistry}, 58(14):8895-8899, American Chemical Society, Washington, DC, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Scaling of intrinsic domain wall magnetoresistance with confinement in electromigrated nanocontacts

Reeve, R. M., Loescher, A., Kazemi, H., Dupé, B., Mawass, M., Winkler, T., Schönke, D., Miao, J., Litzius, K., Sedlmayr, N., Schneider, I., Sinova, J., Eggert, S., Kläui, M.

{Physical Review B}, 99(21), American Physical Society, Woodbury, NY, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Magnons in a Quasicrystal: Propagation, Extinction, and Localization of Spin Waves in Fibonacci Structures

Lisiecki, F., Rychły, J., Kuświk, P., Głowiński, H., Kłos, J. W., Groß, F., Träger, N., Bykova, I., Weigand, M., Zelent, M., Goering, E. J., Schütz, G., Krawczyk, M., Stobiecki, F., Dubowik, J., Gräfe, J.

Physical Review Applied, 11, pages: 054061, 2019 (article)

Abstract
Magnonic quasicrystals exceed the possibilities of spin-wave (SW) manipulation offered by regular magnonic crystals, because of their more complex SW spectra with fractal characteristics. Here, we report the direct x-ray microscopic observation of propagating SWs in a magnonic quasicrystal, consisting of dipolar coupled permalloy nanowires arranged in a one-dimensional Fibonacci sequence. SWs from the first and second band as well as evanescent waves from the band gap between them are imaged. Moreover, additional mini band gaps in the spectrum are demonstrated, directly indicating an influence of the quasiperiodicity of the system. Finally, the localization of SW modes within the Fibonacci crystal is shown. The experimental results are interpreted using numerical calculations and we deduce a simple model to estimate the frequency position of the magnonic gaps in quasiperiodic structures. The demonstrated features of SW spectra in one-dimensional magnonic quasicrystals allow utilizing this class of metamaterials for magnonics and make them an ideal basis for future applications.

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link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Structural and magnetic properties of FePt-Tb alloy thin films

Schmidt, N. Y., Laureti, S., Radu, F., Ryll, H., Luo, C., d\textquotesingleAcapito, F., Tripathi, S., Goering, E., Weller, D., Albrecht, M.

{Physical Review B}, 100(6), American Physical Society, Woodbury, NY, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Tunable perpendicular exchange bias in oxide heterostructures

Kim, G., Khaydukov, Y., Bluschke, M., Suyolcu, Y. E., Christiani, G., Son, K., Dietl, C., Keller, T., Weschke, E., van Aken, P. A., Logvenov, G., Keimer, B.

{Physical Review Materials}, 3(8), American Physical Society, College Park, MD, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Tailoring of an unusual oxidation state in a lanthanum tantalum(IV) oxynitride via precursor microstructure design

Bubeck, C., Widenmeyer, M., Richter, G., Coduri, M., Goering, E., Yoon, S., Weidenkaff, A.

{Communications Chemistry}, 2, Springer Nature, London, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Interpreting first-order reversal curves beyond the Preisach model: An experimental permalloy microarray investigation

Groß, F., Ilse, S. E., Schütz, G., Gräfe, J., Goering, E.

{Physical Review B}, 99(6), American Physical Society, Woodbury, NY, 2019 (article)

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DOI [BibTex]


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Bistability of magnetic states in Fe-Pd nanocap arrays

Aravind, P. B., Heigl, M., Fix, M., Groß, F., Gräfe, J., Mary, A., Rajgowrav, C. R., Krupiński, M., Marszałek, M., Thomas, S., Anantharaman, M. R., Albrecht, M.

Nanotechnology, 30, pages: 405705, 2019 (article)

Abstract
Magnetic bistability between vortex and single domain states in nanostructures are of great interest from both fundamental and technological perspectives. In soft magnetic nanostructures, the transition from a uniform collinear magnetic state to a vortex state (or vice versa) induced by a magnetic field involves an energy barrier. If the thermal energy is large enough for overcoming this energy barrier, magnetic bistability with a hysteresis-free switching occurs between the two magnetic states. In this work, we tune this energy barrier by tailoring the composition of FePd alloys, which were deposited onto self-assembled particle arrays forming magnetic vortex structures on top of the particles. The bifurcation temperature, where a hysteresis-free transition occurs, was extracted from the temperature dependence of the annihilation and nucleation field which increases almost linearly with Fe content of the magnetic alloy. This study provides insights into the magnetization reversal process associated with magnetic bistability, which allows adjusting the bifurcation temperature range by the material properties of the nanosystem.

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link (url) [BibTex]

link (url) [BibTex]


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An international laboratory comparison study of volumetric and gravimetric hydrogen adsorption measurements

Hurst, K. E., Gennett, T., Adams, J., Allendorf, M. D., Balderas-Xicohténcatl, R., Bielewski, M., Edwards, B., Espinal, L., Fultz, B., Hirscher, M., Hudson, M. S. L., Hulvey, Z., Latroche, M., Liu, D., Kapelewski, M., Napolitano, E., Perry, Z. T., Purewal, J., Stavila, V., Veenstra, M., White, J. L., Yuan, Y., Zhou, H., Zlotea, C., Parilla, P.

{ChemPhysChem}, 20(15):1997-2009, Wiley-VCH, Weinheim, Germany, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Superior magnetic performance in FePt L10 nanomaterials

Son, K., Ryu, G. H., Jeong, H., Fink, L., Merz, M., Nagel, P., Schuppler, S., Richter, G., Goering, E., Schütz, G.

{Small}, 15(34), Wiley, Weinheim, Germany, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Vizualizing nanoscale spin waves using MAXYMUS

Gräfe, J., Weigand, M., Van Waeyenberge, B., Gangwar, A., Groß, F., Lisiecki, F., Rychly, J., Stoll, H., Träger, N., Förster, J., Stobiecki, F., Dubowik, J., Klos, H., Krwaczyk, M., Back, C. H., Goering, E. J., Schütz, G.

{Proceedings of SPIE}, 11090, SPIE, Bellingham, Washington, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Niobium near-surface composition during nitrogen infusion relevant for superconducting radio-frequency cavities

Semione, G. D. L., Dangwal Pandey, A., Tober, S., Pfrommer, J., Poulain, A., Drnec, J., Schütz, G., Keller, T. F., Noei, H., Vonk, V., Foster, B., Stierle, A.

{Physical Review Accelerators and Beams}, 22(10), American Physical Society, Ridge, NY, USA, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


Probabilistic Linear Solvers: A Unifying View
Probabilistic Linear Solvers: A Unifying View

Bartels, S., Cockayne, J., Ipsen, I. C. F., Hennig, P.

Statistics and Computing, 2019 (article) Accepted

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link (url) [BibTex]

link (url) [BibTex]


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Systematic experimental study on quantum sieving of hydrogen isotopes in metal-amide-imidazolate frameworks with narrow 1-D channels

Mondal, S. S., Kreuzer, A., Behrens, K., Schütz, G., Holdt, H., Hirscher, M.

{ChemPhysChem}, 20(10):1311-1315, Wiley-VCH, Weinheim, Germany, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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The route to supercurrent transparent ferromagnetic barriers in superconducting matrix

Ivanov, Y. P., Soltan, S., Albrecht, J., Goering, E., Schütz, G., Zhang, Z., Chuvilin, A.

{ACS Nano}, 13(5):5655-5661, American Chemical Society, Washington, DC, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Exploiting dynamic opening of apertures in a partially fluorinated MOF for enhancing H2 desorption temperature and isotope separation

Zhang, L., Jee, S., Park, J., Jung, M., Wallcher, D., Franz, A., Lee, W., Yoon, M., Choi, K., Hirscher, M., Oh, H.

{Journal of the American Chemical Society}, 141(50):19850-19858, American Chemical Society, Washington, DC, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Speeding up the extended Kalman filter approach for denoising XMCD movies of fast magnetization dynamics

Fähnle, M., Schütz, G.

{Ultramicroscopy}, 206, North-Holland, Amsterdam, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Artifacts from manganese reduction in rock samples prepared by focused ion beam (FIB) slicing for X-ray microspectroscopy

Macholdt, D. S., Förster, J., Müller, M., Weber, B., Kappl, M., Kilcoyne, A. L. D., Weigand, M., Leitner, J., Jochum, K. P., Pöhlker, C., Andreae, M. O.

{Geoscientific instrumentation, methods and data systems}, 8(1):97-111, Copernicus Publ., Göttingen, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Magnetic field dependence of mangetotransport properties of MgB2/CrO2 bilayer thin films

Alzayed, N. S., Shahabuddin, M., Ramey, S. M., Soltan, S.

{Journal of Superconductivity and Novel Magnetism}, 32(8):2447-2455, Springer Science + Business Media B.V., New York, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Mixed-state magnetotransport properties of MgB2 thin film prepared by pulsed laser deposition on an Al2O3 substrate

Alzayed, N. S., Shahabuddin, M., Ramey, S. M., Soltan, S.

{Journal of Materials Science: Materials in Electronics}, 30(2):1547-1552, Springer, Norwell, MA, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Comparison of theories of fast and ultrafast magnetization dynamics

Fähnle, M.

{Journal of Magnetism and Magnetic Materials}, 469, pages: 28-29, NH, Elsevier, Amsterdam, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Concepts for improving hydrogen storage in nanoporous materials

Broom, D. P., Webb, C. J., Fanourgakis, G. S., Froudakis, G. E., Trikalitis, P. N., Hirscher, M.

{International Journal of Hydrogen Energy}, 44(15):7768-7779, Elsevier, Amsterdam, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Controlling dislocation nucleation-mediatd plasticity in nanostructures via surface modification

Shin, J., Chen, L. Y., Sanli, U. T., Richter, G., Labat, S., Richard, M., Cornelius, T., Thomas, O., Gianola, D. S.

{Acta Materialia}, 166, pages: 572-586, Elsevier Science, Kidlington, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Reprogrammability and scalability of magnonic Fibonacci quasicrystals

Lisiecki, F., Rychly, J., Kuswik, P., Glowinski, H., Klos, J. W., Groß, F., Bykova, I., Weigand, M., Zelent, M., Goering, E. J., Schütz, G., Gubbiotti, G., Krawczyk, M., Stobiecki, F., Dubowik, J., Gräfe, J.

{Physical Review Applied}, 11(5), American Physical Society, College Park, Md. [u.a.], 2019 (article)

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DOI [BibTex]

DOI [BibTex]

2017


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Evaluation of High-Fidelity Simulation as a Training Tool in Transoral Robotic Surgery

Bur, A. M., Gomez, E. D., Newman, J. G., Weinstein, G. S., Bert W. O’Malley, J., Rassekh, C. H., Kuchenbecker, K. J.

Laryngoscope, 127(12):2790-2795, December 2017 (article)

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DOI [BibTex]

2017


DOI [BibTex]


Probabilistic Line Searches for Stochastic Optimization
Probabilistic Line Searches for Stochastic Optimization

Mahsereci, M., Hennig, P.

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

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link (url) Project Page [BibTex]

link (url) Project Page [BibTex]


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Using Contact Forces and Robot Arm Accelerations to Automatically Rate Surgeon Skill at Peg Transfer

Brown, J. D., O’Brien, C. E., Leung, S. C., Dumon, K. R., Lee, D. I., Kuchenbecker, K. J.

IEEE Transactions on Biomedical Engineering, 64(9):2263-2275, September 2017 (article)

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link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Ungrounded Haptic Augmented Reality System for Displaying Texture and Friction

Culbertson, H., Kuchenbecker, K. J.

IEEE/ASME Transactions on Mechatronics, 22(4):1839-1849, August 2017 (article)

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link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Perception of Force and Stiffness in the Presence of Low-Frequency Haptic Noise

Gurari, N., Okamura, A. M., Kuchenbecker, K. J.

PLoS ONE, 12(6):e0178605, June 2017 (article)

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link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Evaluation of a Vibrotactile Simulator for Dental Caries Detection

Kuchenbecker, K. J., Parajon, R., Maggio, M. P.

Simulation in Healthcare, 12(3):148-156, June 2017 (article)

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DOI [BibTex]

DOI [BibTex]


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Importance of Matching Physical Friction, Hardness, and Texture in Creating Realistic Haptic Virtual Surfaces

Culbertson, H., Kuchenbecker, K. J.

IEEE Transactions on Haptics, 10(1):63-74, January 2017 (article)

hi

[BibTex]


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Effects of Grip-Force, Contact, and Acceleration Feedback on a Teleoperated Pick-and-Place Task

Khurshid, R. P., Fitter, N. T., Fedalei, E. A., Kuchenbecker, K. J.

IEEE Transactions on Haptics, 10(1):40-53, January 2017 (article)

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[BibTex]

[BibTex]


Early Stopping Without a Validation Set
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.

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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]