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We show that strong non-Markovian effects can be revealed by the steady-state two-dimensional (2D) photon echo spectra at asymptotic waiting times. For this, we use a simple dimer toy model that is strongly coupled to a harmonic bath with parameters typical for photoactive biomolecules. We calculate the 2D photon echo spectra employing both the numerically exact hierarchy equation of motion and the quasiadiabatic path integral approach and compare these results with approximate results from a time-nonlocal quantum master equation approach. While the latter correctly reproduces the exact population dynamics at long times, it fails at the same time to correctly describe the 2D photon echo spectra at long waiting times. The differences show that non-Markovian effects are much more important for the steady-state 2D photon echoes than for the equilibrium populations. Thus, accurate theoretical descriptions of the energy transfer dynamics in biomolecular complexes have to be based on numerically exact simulations of the environmental fluctuations when nonlinear response functions are analyzed.
Metallic implants in magnetic resonance imaging (MRI) are a potential safety risk since the energy absorption may increase temperature of the surrounding tissue. The temperature rise is highly dependent on implant size. Numerical examinations can be used to calculate the energy absorption in terms of the specific absorption rate (SAR) induced by MRI on orthopaedic implants. This research presents the impact of titanium osteosynthesis spine implants, called spondylodesis, deduced by numerical examinations of energy absorption in simplified spondylodesis models placed in 1.5 T and 3.0 T MRI body coils. The implants are modelled along with a spine model consisting of vertebrae and disci intervertebrales thus extending previous investigations [1, 2]. Increased SARvalues are observed at the ends of long implants, while at the center SAR is significantly lower. Sufficiently short implants show increased SAR along the complete length of the implant. A careful data analysis reveals that the particular anatomy, i.e. vertebrae and disci intervertebrales, has a significant effect on SAR. On top of SAR profile due to the implant length, considerable SAR variations at small scale are observed, e.g. SAR values at vertebra are higher than at disc positions.
Earwig wings are highly foldable structures that lack internal muscles. The behaviour and shape changes of the wings during flight are yet unknown. We assume that they meet a great structural challenge to control the occurring deformations and prevent the wing from collapsing. At the folding structures especially, the wing could easily yield to the pressure. Detailed microscopy studies reveal adaptions in the structure and material which are not relevant for folding purposes. The wing is parted into two structurally different areas with, for example, a different trend or stiffness of the wing veins. The storage of stiff or more flexible material shows critical areas which undergo great changes or stress during flight. We verified this with high-speed video recordings. These reveal the extent of the occurring deformations and their locations, and support our assumptions. The video recordings reveal a dynamical change of a concave flexion line. In the static unfolded state, this flexion line blocks a folding line, so that the wing stays unfolded. However, during flight it extends and blocks a second critical folding line and prevents the wing from collapsing. With these results, more insight in passive wing control, especially within high foldable structures, is gained.
The conventional quantitative method for the analysis of inorganic elements in polymer matrices is a complex and time consuming process that presents a significant risk for error. Typically, polymers are digested in a microwave oven or other devices under high temperature and pressure for several hours while employing different mixtures of high purity acids. In many cases, particularly when high concentrations of doped elements are present, the digestion is often incomplete and therefore the reproducibility depends strongly on the type of polymer and additives used. A promising alternative technology that allows for the direct analysis of these polymers without digestion is laser ablation ICP-MS. Due to a lack of available reference materials and the presence of matrix dependent effects, a precise calibration cannot be obtained. In order to compensate for the matrix dependent effects the use of internal standardization is necessary. In this study the correlation between the carbon released during the ablation process and the 13C signal detected by ICP-MS and its use as an internal standard are investigated. For this purpose, twenty-one virgin polymer materials are ablated; the released carbon is determined and correlated with the corresponding integrated 13C signal. The correlation resulted in a direct relationship between the ablated carbon and 13C signal demonstrating the potential ability to neglect at least some of the matrix dependent and transport effects which occur during the laser ablation of virgin polymers.
From brain drain to brain exchange: how to use better highly skilled workers; a conceptual approach.
Efficient tool to calculate two-dimensional optical spectra for photoactive molecular complexes
(2015)
For this experimental work gas diffusion electrodes (GDE) with low platinum loading are prepared for the application as anodes in polymer electrolyte membrane fuel cells. As catalyst support material, carbon nano fibres (CNF) are investigated due to high specific surface area as well as high graphitisation degree. Optimisation is achieved by an economic and environmental friendly pre-treatment process in oxygen plasma. For electrode preparation an ink is used containing oxygen plasma activated CNFs as well as hydrophilic polymer. After spray coating of this CNF ink on a graphitic substrate, platinum is deposited by pulse plating method. Preliminary results established that the plasma activation improves considerably CNF dispersibility as well as the amount, respectively, the morphology of the deposited platinum. Morphology and microstructure are observed by electron microscopy. Platinum loading is determined by thermogravimetric analysis to be in the range of 0.010 to 0.016 mg cm-2. Furthermore, MEAs are prepared from these GDEs and testing is performed in a novel modular test stack based on hydraulic compression. Technical information about the test stack design and functions are given in this work. In this test environment maximum specific power output of 182 mW cm-2 has been obtained under robust operation conditions.
An EJB container can host three types of beans: Session beans to model business processes, entity beans to represent business objects and message-driven beans to provide for asynchronous method calls. This paper addresses entity beans and their mapping to persistent storage, especially relational and object-relational databases. A tool named BeanMaker is presented which can do object mapping either automatically by metadata analysis of a database schema or manually based on intrinsic real world semantics supplied by the user. BeanMaker is a running prototype system with an intuitive GUI interface. This paper looks what's behind the scenes and focuses on design issues and concepts of code generation.
Many fluids transported by pipelines are in some sense hazardous. It is therefore often necessary to install leak detection (and locating) systems (LDS), especially due to legal regulations like the "Code for Federal Regulations (CFR) Title 49 Part 195", API 1130 2nd Ed., both for the USA, or the "Technische Regeln für Fernleitungen" (TRFL) (Technical Rules for Pipelines) in Germany. This paper gives a survey of methodologies, methods and techniques for leak detection and locating. The survey starts with some remarks concerning (legal) regulations both for the USA and for Germany. Some few words about externally based systems (due to API 1130 2nd Ed.) follow next. A significant part of the paper deals with internally based systems (also due to API 1130 2nd Ed.) like balancing systems (line balance, volume balance, compensated mass balance etc.), Real Time Transient Model LDS (RTTM-LDS), pressure/flow monitoring and statistical analysis LDS. Different methods for leak locating (gradient intersection method, wave propagation analysis etc.) will also be shown. The presentation of an Extended RTTM approach (E-RTTM) combining advantages of conventional RTTM LDS and statistical analysis follows next, together with the demonstration of applicability by means of two examples, a liquid multi-batch pipeline, and a gas pipeline. Sketching future work and the conclusion conclude the survey.