All Outputs (653)

The NuGrid Research Platform: A Comprehensive Simulation Approach for Nuclear Astrophysics (2012)
Journal Article
Pignatari, M., & Herwig, F. (2012). The NuGrid Research Platform: A Comprehensive Simulation Approach for Nuclear Astrophysics. Nuclear physics news : a publication of NuPECC and EPS-NPB, 22(4), 18-23. https://doi.org/10.1080/10619127.2012.710142

Since the seminal works by BBFH [1] and Cameron et al. [2] a lot of progress in our understanding of the formation of the elements in stars has been made. Increasing fidelity of spectroscopic observations of stellar abundances as well as high-precis... Read More about The NuGrid Research Platform: A Comprehensive Simulation Approach for Nuclear Astrophysics.

Negative differential resistance associated with hot phonons (2012)
Journal Article
Dyson, A., & Ridley, B. K. (2012). Negative differential resistance associated with hot phonons. Journal of applied physics, 112(6), 063707. https://doi.org/10.1063/1.4754012

We predict the existence of a hot-phonon negative differential resistance (NDR) in GaN. We show that this is a consequence of a wave-vector dependence of lifetime caused by the effect of coupled plasmon-phonons. Anti-screened long-wavelength modes ha... Read More about Negative differential resistance associated with hot phonons.

Low-temperature plasmonics of metallic nanostructures (2012)
Journal Article
Bouillard, J. S. G., Dickson, W., O’Connor, D. P., Wurtz, G. A., & Zayats, A. V. (2012). Low-temperature plasmonics of metallic nanostructures. Nano Letters, 12(3), 1561-1565. https://doi.org/10.1021/nl204420s

The requirements for spatial and temporal manipulation of electromagnetic fields on the nanoscale have recently resulted in an ever-increasing use of plasmonics for achieving various functionalities with superior performance to those available from c... Read More about Low-temperature plasmonics of metallic nanostructures.

Ultrafast heating as a sufficient stimulus for magnetization reversal in a ferrimagnet (2012)
Journal Article
Ostler, T. A., Barker, J., Evans, R. F., Chantrell, R. W., Atxitia, U., Chubykalo-Fesenko, O., El Moussaoui, S., Le Guyader, L., Mengotti, E., Heyderman, L. J., Nolting, F., Tsukamoto, A., Itoh, A., Afanasiev, D., Ivanov, B. A., Kalashnikova, A. M., Vahaplar, K., Mentink, J., Kirilyuk, A., Rasing, T., & Kimel, A. V. (2012). Ultrafast heating as a sufficient stimulus for magnetization reversal in a ferrimagnet. Nature communications, 3, Article 666. https://doi.org/10.1038/ncomms1666

The question of how, and how fast, magnetization can be reversed is a topic of great practical interest for the manipulation and storage of magnetic information. It is generally accepted that magnetization reversal should be driven by a stimulus repr... Read More about Ultrafast heating as a sufficient stimulus for magnetization reversal in a ferrimagnet.

Effect of particulate contamination on adhesive ability and repellence in two species of ant (Hymenoptera; Formicidae) (2012)
Journal Article
Anyon, M. J., Orchard, M. J., Buzza, D. M. A., Humphries, S., & Kohonen, M. M. (2012). Effect of particulate contamination on adhesive ability and repellence in two species of ant (Hymenoptera; Formicidae). The journal of experimental biology, 215(4), 605-616. https://doi.org/10.1242/jeb.063578

Tarsal adhesive pads are crucial for the ability of insects to traverse their natural environment. Previous studies have demonstrated that for both hairy and smooth adhesive pads, significant reduction in adhesion can occur because of contamination o... Read More about Effect of particulate contamination on adhesive ability and repellence in two species of ant (Hymenoptera; Formicidae).

An avatar-based help system for web-portals (2011)
Journal Article
Lang, H., Mosch, C., Boegel, B., Minker, W., & Benoit, D. M. (2011). An avatar-based help system for web-portals. Lecture notes in computer science, 6762(PART 2), 537-546. https://doi.org/10.1007/978-3-642-21605-3_59

In this paper we present an avatar-based help system for web-portals that should provide various kinds of user assistance. Along with helping users on individual elements of a web page, it is also capable to offer step-by-step guidance supporting use... Read More about An avatar-based help system for web-portals.

Precise chemical, electronic, and magnetic structure of binuclear complexes studied by means of X-ray spectroscopies and theoretical methods (2011)
Journal Article
Kuepper, K., Benoit, D. M., Wiedwald, U., Mögele, F., Meyering, A., Neumann, M., Kappler, J.-P., Joly, L., Weidle, S., Rieger, B., & Ziemann, P. (2011). Precise chemical, electronic, and magnetic structure of binuclear complexes studied by means of X-ray spectroscopies and theoretical methods. Journal of physical chemistry. C, 115(50), 25030-25039. https://doi.org/10.1021/jp2069804

We investigate two planar complexes MnNi and CoNi (see Scheme 1) by X-ray photoelec- tron spectroscopy (XPS) and ultralow-temperature X-ray magnetic circular dichroism (XMCD). In this way the valence states as well as the presence of uncompensated ma... Read More about Precise chemical, electronic, and magnetic structure of binuclear complexes studied by means of X-ray spectroscopies and theoretical methods.

Optically-programmable nonlinear photonic component for dielectric-loaded plasmonic circuitry (2011)
Journal Article
Krasavin, A. V., Randhawa, S., Bouillard, J. S., Renger, J., Quidant, R., & Zayats, A. V. (2011). Optically-programmable nonlinear photonic component for dielectric-loaded plasmonic circuitry. Optics express, 19(25), 25222-25229. https://doi.org/10.1364/OE.19.025222

We demonstrate both experimentally and numerically a compact and efficient, optically tuneable plasmonic component utilizing a surface plasmon polariton ring resonator with nonlinearity based on trans-cis isomerization in a polymer material. We obser... Read More about Optically-programmable nonlinear photonic component for dielectric-loaded plasmonic circuitry.

Temperature dependence of the upper-branch polariton population in an organic semiconductor microcavity (2011)
Journal Article
Coles, D. M., Michetti, P., Clark, C., Adawi, A. M., & Lidzey, D. G. (2011). Temperature dependence of the upper-branch polariton population in an organic semiconductor microcavity. Physical review B: Condensed matter and materials physics, 84(20), 205214-1 - 205214-8. https://doi.org/10.1103/PhysRevB.84.205214

We explore the distribution of polaritons along the upper polariton branch of a strongly coupled organic-semiconductor microcavity as a function of temperature following nonresonant optical excitation. Measurements of polariton emission from a high-f... Read More about Temperature dependence of the upper-branch polariton population in an organic semiconductor microcavity.

Assessing spin-component-scaled second-order Møller-plesset theory using anharmonic frequencies (2011)
Journal Article
Domin, D., & Benoit, D. M. (2011). Assessing spin-component-scaled second-order Møller-plesset theory using anharmonic frequencies. Chemphyschem, 12(17), 3383-3391. https://doi.org/10.1002/cphc.201100499

Four common parametrisations of spin-component-scaled second-order Møller–Plesset (MP2) theory are benchmarked by calculating the anharmonic vibrational frequencies of a test suite consisting of eighteen diatomic and five small molecules. Of the four... Read More about Assessing spin-component-scaled second-order Møller-plesset theory using anharmonic frequencies.

Hybrid FIB milling strategy for the fabrication of plasmonic nanostructures on semiconductor substrates (2011)
Journal Article
Einsle, J. F., Bouillard, J. S., Dickson, W., & Zayats, A. V. (2011). Hybrid FIB milling strategy for the fabrication of plasmonic nanostructures on semiconductor substrates. Nanoscale Research Letters, 6(1), Article 572. https://doi.org/10.1186/1556-276X-6-572

The optical properties of plasmonic semiconductor devices fabricated by focused ion beam (FIB) milling deteriorate because of the amorphisation of the semiconductor substrate. This study explores the effects of combining traditional 30 kV FIB milling... Read More about Hybrid FIB milling strategy for the fabrication of plasmonic nanostructures on semiconductor substrates.

Hierarchical formation of bulgeless galaxies - II. Redistribution of angular momentum via galactic fountains: Bulgeless discs II (2011)
Journal Article
Brook, C. B., Stinson, G., Gibson, B. K., Roškar, R., Wadsley, J., & Quinn, T. (2012). Hierarchical formation of bulgeless galaxies - II. Redistribution of angular momentum via galactic fountains: Bulgeless discs II. Monthly notices of the Royal Astronomical Society, 419(1), 771-779. https://doi.org/10.1111/j.1365-2966.2011.19740.x

Within a fully cosmological hydrodynamical simulation, we form a galaxy which rotates at 140 kms-1, and it is characterized by two loose spiral arms and a bar, indicative of a Hubble-type SBc/d galaxy. We show that our simulated galaxy has no classic... Read More about Hierarchical formation of bulgeless galaxies - II. Redistribution of angular momentum via galactic fountains: Bulgeless discs II.

Momentum relaxation due to polar optical phonons in AlGaN/GaN heterostructures (2011)
Journal Article
Zhang, J.-Z., Zhang, J.-Z., Dyson, A., & Ridley, B. K. (2011). Momentum relaxation due to polar optical phonons in AlGaN/GaN heterostructures. Physical review B: Condensed matter and materials physics, 84(15), Article ARTN 155310. https://doi.org/10.1103/PhysRevB.84.155310

Using the dielectric continuum (DC) model, momentum relaxation rates are calculated for electrons confined in quasi-two-dimensional (quasi-2D) channels of AlGaN/GaN heterostructures. Particular attention is paid to the effects of half-space and inter... Read More about Momentum relaxation due to polar optical phonons in AlGaN/GaN heterostructures.

The structure and melting transition of two-dimensional colloidal alloys (2011)
Journal Article
Law, A. D., Horozov, T. S., & Buzza, D. M. A. (2011). The structure and melting transition of two-dimensional colloidal alloys. Soft matter, 7(19), 8923-8931. https://doi.org/10.1039/c1sm05446e

We study theoretically the structure and melting transition of two-dimensional (2D) binary mixtures of colloidal particles interacting via a dipole-dipole potential. Using a lattice sum method, we find that at zero temperature (T = 0) the system form... Read More about The structure and melting transition of two-dimensional colloidal alloys.

Spectroscopy and single-molecule emission of a fluorene-terthiophene oligomer (2011)
Journal Article
Khalil, G. E., Adawi, A. M., Robinson, B., Cadby, A. J., Tsoi, W. C., Kim, J.-S., Charas, A., Morgado, J., & Lidzey, D. G. (2011). Spectroscopy and single-molecule emission of a fluorene-terthiophene oligomer. Journal of Physical Chemistry B, 115(42), 12028-12035. https://doi.org/10.1021/jp206368g

We study the thiophene-based oligomer poly[2,7-(9,9-bis(2′-ethylhexyl)fluorene)-alt-2,5-terthiophene] (PF3T) in solution and when dispersed at low concentration into a polynorbornene matrix. We find that at high concentration in solution the 0–0 elec... Read More about Spectroscopy and single-molecule emission of a fluorene-terthiophene oligomer.

A new polymorph (IV) of benzamide: Structural characterization and mechanism of the I↔IV phase transition (2011)
Journal Article
Benoit, D. M., Ectors, P., Duchstein, P., Breu, J., & Zahn, D. (2011). A new polymorph (IV) of benzamide: Structural characterization and mechanism of the I↔IV phase transition. Chemical Physics Letters, 514(4-6), 274-277. https://doi.org/10.1016/j.cplett.2011.08.071

We present a molecular simulation study dedicated to the manifold of benzamide crystal structures. Along this line, a new polymorph (IV) is identified and structurally characterized. The new polymorph exhibits the same hydrogen bonded network as the... Read More about A new polymorph (IV) of benzamide: Structural characterization and mechanism of the I↔IV phase transition.

Light extraction beyond total internal reflection using one-dimensional plasmonic crystals (2011)
Journal Article
McCarron, R., O'Connor, D., Bouillard, J. S., Dickson, W., & Zayats, A. V. (2011). Light extraction beyond total internal reflection using one-dimensional plasmonic crystals. Applied physics letters, 99(8), Article 081106. https://doi.org/10.1063/1.3628330

We demonstrate the application of plasmonic crystals for extracting light trapped in the substrate due to total internal reflection (TIR). The broadband transmission properties of one-dimensional plasmonic crystals have been investigated, both experi... Read More about Light extraction beyond total internal reflection using one-dimensional plasmonic crystals.

Towards a scalable and accurate quantum approach for describing vibrations of molecule–metal interfaces (2011)
Journal Article
Benoit, D. M., Madebene, B., Ulusoy, I., Mancera, L., Scribano, Y., & Chulkov, S. (2011). Towards a scalable and accurate quantum approach for describing vibrations of molecule–metal interfaces. Beilstein journal of nanotechnology, 2(1), 427-447. https://doi.org/10.3762/bjnano.2.48

We present a theoretical framework for the computation of anharmonic vibrational frequencies for large systems, with a particular focus on determining adsorbate frequencies from first principles. We give a detailed account of our local implementation... Read More about Towards a scalable and accurate quantum approach for describing vibrations of molecule–metal interfaces.

Liquid crystalline organic semiconductors: nematic spiro[cyclopentyl-1,9']fluorenes (2011)
Journal Article
Billa, M. R., Kassireddy, K., Haro, M., Al-Kalifah, M. S., Kelly, S. M., Kitney, S. P., & O'Neill, M. (2011). Liquid crystalline organic semiconductors: nematic spiro[cyclopentyl-1,9']fluorenes. Liquid crystals, 38(7), 813-829. https://doi.org/10.1080/02678292.2011.577913

A number of nematic spiro[cyclopentyl-1,9′]fluorene reactive mesogens with polymerisable oxetane or non-conjugated diene end-groups have been successfully synthesised. The melting and clearing points of these new spiro[cyclopentyl-1,9′]fluorenes are... Read More about Liquid crystalline organic semiconductors: nematic spiro[cyclopentyl-1,9']fluorenes.

Controlling the self-assembly of binary copolymer mixtures in solution through molecular architecture (2011)
Journal Article
McLeish, T. C. B., Butler, M. F., Buzza, D. M. A., Atkins, D., Furzeland, S., Schuetz, P., & Greenall, M. J. (2011). Controlling the self-assembly of binary copolymer mixtures in solution through molecular architecture. Macromolecules, 44(13), 5510-5519. https://doi.org/10.1021/ma2008546

We present a combined experimental and theoretical study on the role of copolymer architecture in the self-assembly of binary PEO-PCL mixtures in water-THF and show that altering the chain geometry and composition of the copolymers can control the fo... Read More about Controlling the self-assembly of binary copolymer mixtures in solution through molecular architecture.