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Environmental rocking ratchet: Environmental rectification by a harmonically driven avoided crossing
(2017)
We propose a rocking ratchet designed as a symmetric quantum two-state system driven by a single periodic harmonic force and influenced symmetrically by thermal fluctuations. We show that the necessary broken symmetry can dynamically be achieved by a thermal environment that couples to the energy difference between the two states and the tunnel coupling between them. The quantum two-state system is driven by the harmonic periodic drive through its avoided crossing. The correspondingly driven dissipative quantum dynamics results on average in a finite population difference between both states. This then causes directed particle transport.
Environmental noise leads to dephasing and relaxation in a quantum system. Often, a rigorous treatment of multiple noise sources within a system-bath approach is not possible. We discuss the influence of environmental fluctuations on a quantum system whose dynamics is dephasing already due to a phenomenologically treated additional noise source. For this situation, we develop a path-integral approach, which allows us to treat the system-environment coupling in a numerically exact way, and additionally we extend standard perturbative approaches. We observe strong deviations between the numerically exact and the perturbative results even for weak system-bath coupling. This shows that standard perturbative approaches fail for additional, even weak, system-bath couplings if the system dynamics is already dissipative.
The two-state two-path model is introduced as a minimized model to describe the quantum dynamics of an electronic wave packet in the vicinity of a conical intersection. It involves two electronic potential energy surfaces each of which hosts a pair of quasi-classical trajectories over which the wave packet is assumed to be delocalized. When both trajectories evolve dynamically either diabatically or adiabatically, the full wave packet dynamics shows only features of the dynamics around avoided level crossings in the vicinity of the conical intersection. When one trajectory evolves adiabatically whereas the other trajectory follows a diabatic evolution, quantum mechanical interference of the wave packet components on each path generates Stueckelberg oscillations in the transition probability. These are surprisingly robust against a dissipative environment and, thus, should be a marker for conical intersections.
Tunneling two-level systems (TLSs) are ubiquitous in amorphous solids, and form a major source of noise in systems such as nano-mechanical oscillators, single electron transistors, and superconducting qubits. Occurance of defect tunneling despite their coupling to phonons is viewed as a hallmark of weak defect-phonon coupling. This is since strong coupling to phonons results in significant phonon dressing and suppresses tunneling in two-level tunneling defects effectively. Here we determine the dynamics of a tunneling defect in a crystal strongly coupled to phonons incorporating the full 3D geometry in our description. Wefind that inversion symmetric tunneling is not dressed by phonons whereas other tunneling pathways are dressed by phonons and, thus, are suppressed by strong defect-phonon coupling. We provide the linear acoustic and dielectric response functions for a tunneling defect in a crystal for strong defect-phonon coupling. This allows direct experimental determination of the defect-phonon coupling. The singling out of inversion-symmetric tunneling states in single tunneling defects is complementary to their dominance of the low energy excitations in strongly disordered solids as a result of inter-defect interactions for large defect concentrations. This suggests that inversion symmetric TLSs play a unique role in the low energy properties of disordered solids.
Patient specific simulation of brain stimulation using the unfitted discontinuous galerkin method
(2015)
Three dinuclear zinc carboxylate complexes [L1−3Zn(μ,η2-O2CPh)]2 (1, 2, 4) containing either the bidentate N,N′-chelating β-diketiminate ligand RNC(Me)C(H)C(Me)NR (R = 2,6-iPr2-C6H3, L1, complex 1), the tridentate O,N,N-chelating ligand OC(Me)C(H)C(Me)NCH2CH2NMe2 (L2, complex 2) or the bis-N,N′-chelating bis-β-diketiminate ligand RNC(Me)C(H)C(Me)NNC(Me)C(H)C(Me)NR (R = 2,6-iPr2-C6H3, L3, complex 4) were synthesized and characterized including single-crystal X-ray diffraction. Reaction of the neutral bis-β-diketimine (L3(H)2) with two equivalents of ZnMe2 leads to the expected heteroleptic dinuclear zinc complex L3(ZnMe)2 3 in 93 % yield. Further reaction with benzoic acid PhCO2H leads to complex 4. Complex 2 forms a rather strong carboxylate-bridged dimer, whereas the carboxylate groups in complexes 1 and 4 act as asymmetrical bridges between both Zn atoms, pointing to the formation of a weakly bonded dimer. The zinc atoms in 1 and 4 are tetrahedrally coordinated, whereas in 2 the coordination number is increased to five due to the coordination of the pendant donor arm. The ring opening polymerization (ROP) of rac-lactide was investigated with the zinc complexes 1–4 and diazabicycloundec-7-ene (DBU) as a co-catalyst. Complexes 2 and 3 are active polymerization catalysts, which in the presence of DBU converted 200 equiv. of rac-lactide into polylactide within 10 min at ambient temperature. The analysis of the crude polymer showed that the lactide polymerization with catalyst 2 occurs via a slightly modified activated-monomer mechanism.
Preparation, catalytical activity and crystal structure of a heptanuclear zinc acetate cluster
(2017)
The technology of polymer electrolyte membrane (PEM) electrolysis provides an efficient way to produce hydrogen. In combination with renewable energy sources, it promises to be one of the key factors towards a carbon-free energy infrastructure in the future. Today, PEM electrolyzers with a power consumption higher than 1 MW and a gas output pressure of 30 bar (or even higher) are already commercially available. Nevertheless, fundamental research and development for an improved efficiency is far from being finally accomplished, and mostly takes place on a laboratory scale. Upscaling the laboratory prototypes to an industrial size usually cannot be achieved without facing further problems and/or losing efficiency. With our novel system design based on hydraulic cell compression, a lot of the commonly occurring problems like inhomogeneous temperature and current distribution can be avoided. In this study we present first results of an upscaling by a factor of 30 in active cell area.
Due to high power density and superior efficiency, polymer electrolyte membrane fuel cells (PEMFC) are believed to play a significant role for carbon dioxide emissions free electrical energy systems in the future. Unlike in Carnot processes, chemical energy in the form of hydrogen and oxygen is converted directly into electrical energy without a further process step. One issue in the development of PEMFCs for mobile or stationary applications is the utilization of rare and expensive catalyst material like platinum within the membrane electrode assembly (MEA) see figure 1. In addition, the objective is to reduce production costs and to increase the lifetime of PEMFC. One approach to improve PEMFCs is the development of intelligent electrode architectures. However, cost effective high performance materials are necessary to reach the development targets.
The wireless data logger system “Cor/log® BAN BT” (CL) allows seamless 24/7 monitoring of relevant vital sign parameters. CL covers the entire period of acute point of care inside the hospital and the recovery period, when first mobility is achieved and when the patient is released into an ambulatory or homecare environment. The CL records the relevant vital signs such as ECG, respiration, pulse oximetry with plethysmogram and movement. The vital data collected with the CL data logger is saved on a memory card for further analysis and is simultaneously transmitted in real-time to a telemedicine server via a smartphone or tablet. The smartphone also provides GPS location information. In addition Cor/log View, an Android Application for viewing recorded vital sign data originating from the CL, was developed. CL has also a connector to the generic MedM health cloud. MedM is a generic patient data management system (PDMS) consisting of a cloud portal and a mobile health app. The app runs on Android, iOS and Windows. The app can connects wirelessly to the CL physiologic monitor and stores the vital signs in the cloud.
In the polymer electrolyte membrane fuel cells (PEMFC) state of the art, rare and expensive platinum group metals (PGM) or PGM alloys are used as catalyst material. Reduction of PGMs in PEMFC electrodes is strongly required to reach cost targets for this technology. An optimal catalyst utilization is achieved in case of nano-structured particles supported on carbon material with a large specific surface area. In this study, graphitic material, in form of carbon nanofibers (CNF), is decorated with Pt particles, serving as catalyst material for PEMFC electrodes with low Pt loading. As a novelty, the effect of oxygen plasma treatment of CNFs previously to platinum particle deposition has been studied. Electrodes are investigated in respect of the optimal morphology, microstructure as well as electrochemical properties. Therefore, samples are characterized by means of scanning electron microscopy combined with energy dispersive X-ray analysis, transmission electron microscopy, thermogravimetry, X-ray diffraction as well as X-ray fluorescence analysis. In order to determine the electrochemical active surface area of catalyst particles, cyclic voltammetry has been performed in 0.5 M sulphuric acid. Selected samples have been investigated in a PEMFC test bench according to their polarization behavior.
Carbon Nanofibers (CNF) are considered to be a promising catalyst support material due to their unique characteristics, excellent mechanical, electrical and structural properties, high surface area and nevertheless, good interaction with metallic catalyst particles. The possibility of preparing CNF decorated with platinum by an electrochemical method was tested, using a hexachloroplatinic bath solution. The experiments were carried out with the aid of a Potentiostat/Galvanostat Ivium Technologies Vertex, in a three – electrode cell. The aim of the present work was to determine the electrochemical surface area (ECSA) of the CNF-Pt catalysts in relation to the functionalization treatment of fibers, using an electrochemical method. ECSA for different functionalized CNF-Pt catalysts was determined by cyclic voltammetry in 0.5 M H2SO4 solution. The highest active surface of platinum was obtained for the samples with CNF functionalized by plasma treatment using 80 W for 1800 s. The obtained results correlate very well with the particles size and distribution of platinum, revealed by scanning electron microscopy (SEM) and the quantity of deposited platinum determined by thermo gravimetrical analysis (TGA) respectively. Cyclic voltammetry (CV) has been proven to be a suitable method for estimation of the ECSA of the electrocatalysts.
Platinum nanoparticles electrodeposition on carbon nanofibers (CNF) support has been performed with the purpose to obtain electrodes that can be further used especially in a polymer electrolyte membrane fuel cell (PEMFC). A pretreatment of CNF is required in order to enhance the surface energy, which simultaneously improves handling and wettability as well as interaction with the platinum cations. This step was performed using oxygen plasma functionalization. To produce CNF supported Pt catalysts, an electrochemical method was applied and the deposition parameters were adjusted to obtain nanosized platinum particles with a good distribution onto the graphitic surface. The morphology and structure of the obtained particles were investigated by scanning electron microscopy combined with energy dispersive X-Ray spectroscopy. The amount of deposited platinum was established using thermogravimetrical measurements. Cyclic voltammetry performed in 0.5 M H2SO4 solution was applied for determining the electrochemical surface area (ECSA) of the obtained electrodes.The functionalization degree of the CNF outer surface has a strong influence on the structure, distribution and amount of platinum particles. Moreover, the current densities, which were set for the deposition process influenced not only the particles size but also the platinum amount. Applying an oxygen plasma treatment of 80 W for 1800 s, the necessary degree of surface functionalization is achieved in order to deposit the catalyst particles. The best electrodes were prepared using a current density of 50 mA cm-2 during the deposition process that leads to a homogenous platinum distribution with particles size under 80 nm and ECSA over 6 cm2
In this experimental work polymer electrolyte membrane fuel cell (PEMFC) electrodes are analysed, which are prepared by the use of two sorts of carbon nano fibres (CNF) serving as support material for platinum nano particles. Those CNFs, which are heat treated subsequently to their production, have a higher graphitisation degree than fibres as produced. The improved graphitisation degree leads to higher electrical conductivity, which is favourably for the use in PEMFC electrodes. Samples have been analysed, in order to determine graphitisation degree, electrical conductivity, as well as morphology and loading of the prepared electro catalyst. Membrane electrode assemblies manufactured from prepared electrodes are analysed in-situ in a PEM fuel cell test environment. It has been determined that power output for samples containing CNFs with higher graphitisation degree is increased by about 13.5%.
In this study, a novel design concept for PEMFC (polymer electrolytemembrane fuel cell) stacks is presented with singlecells inserted in pockets surrounded by a hydraulic medium. Thehydraulic pressure introduces necessary compression forces to themembrane electrode assembly of each cell within a stack. Moreover, homogeneous cell cooling is achieved by this medium. First,prototypes presented in this work indicate that, upscaling of cells for the novelstack design is possible without significantperformancelosses. Due to its modularity and scalability, this stackdesign meets the requirements for large PEMFC units.
Optimization of the laser remelting process for HVOF-sprayed Stellite 6 wear resistant coatings
(2016)
Cobalt base alloys are used in all industrial areas due to their excellent wear resistance. Several studies have shown that Stellite 6 coatings are suitable not only for protection against sliding wear, but also in case of exposure to impact loading. In this respect, a possible application is the protection of hydropower plant components affected by cavitation. The main problem in connection with Stellite 6 is the deposition procedure of the protective layers, both welding and thermal spraying techniques requesting special measures in order to prevent the brittleness of the coating. In this study, Stellite 6 layers were HVOF thermally sprayed on a martensitic 13-4 stainless steel substrate, as usually used for hydraulic machinery components. In order to improve the microstructure of the HVOF-sprayed coatings and their adhesion to the substrate, laser remelting was applied, using a TRUMPF Laser type HL 124P LCU and different working parameters. The microstructure of the coatings, obtained for various remelting conditions, was evaluated by light microscopy, showing the optimal value of the pulse power, which provided a homogenous Stellite 6 layer with good adhesion to the substrate.
Based on the fact that titanium and titanium alloys have poor fretting fatigue resistance and poor tribological properties, it is necessary to apply some surface engineering methods in order to increase the exploitation characteristics of these materials. One may either implement some surface treatment technologies or even deposit overlay coatings by thermal spraying.
The present study is focused on the achieved properties of the ceramic coatings (Al2O3 + 13 wt.% TiO2) deposited onto a titanium substrate using high velocity oxygen fuel (HVOF) and plasma spraying (APS) respectively.
The effect of the deposition method on the microstructure, phase constituents, and mechanical properties of the ceramic coatings was investigated by means of scanning electron microscopy (SEM), X-ray diffraction technique (XRD) and nanoindentation tests. The sliding wear performances of the Al2O3–TiO2 coatings were tested using a pin on disk wear tester.
This report gives a brief overview to the state of the art of PEM fuel cell technology and a description of a newly developed fuel cell stack concept. One main research activity at the Westphalian Energy Institute of the Westphalian University of Applied Sciences is the development of PEM fuel cells, for which a range of different materials have been investigated for fuel cell pole plate construction. Whereas graphite is a material which has suitable properties concerning conductivity as well as manufacturing e.g. for milling, stainless steel foils are suitable for economical hydroforming processes. However, with steel coating is necessary to increase corrosion resistance as well as electrical conductivity. A new fuel cell stack design is currently under development using separated single fuel cells with hydraulic cell compression. The advantages of this stack concept are modularity, effective heat exchanging and constant, uniform cell compression which are further described in this work.
In an effort to better understand the various forms of social innovation, mapping has become a common and widely applied method for gaining insights into social innovation practices. The transdisciplinary nature of social innovation research has led to a plurality of distinct approaches and methods. Given the increasing interest in social innovation, and the apparent endeavour among policymakers to utilise social innovation to address current societal challenges, it is argued that mapping efforts need to be streamlined in order to make better use of their results. The article describes 17 ongoing or recently finalised research projects on social innovation and their methodological approaches on “mapping” social innovations. It provides a systematic overview on project objectives, SI definitions and mapping approaches for each of the scrutinised projects and ends with a synoptical analysis on methods, objectives and missing research.
BACKGROUND: In cartilage repair, scaffold-assisted single-step techniques are used to improve the cartilage regeneration. Nevertheless, the fixation of cartilage implants represents a challenge in orthopaedics, particularly in the moist conditions that pertain during arthroscopic surgery. Within the animal kingdom a broad range of species has developed working solutions to intermittent adhesion under challenging conditions. Using a top-down approach we identified promising mechanisms for biomimetic transfer OBJECTIVE: The tree-frog adhesive system served as a test case to analyze the adhesion capacity of a polyglycolic acid (PGA) scaffold with and without a structural modification in a bovine articular cartilage defect model. METHODS: To this end, PGA implants were modified with a simplified foot-pad structure and evaluated on femoral articular bovine cartilage lesions. Non-structured PGA scaffolds were used as control. Both implants were pressed on 20 mm × 20 mm full-thickness femoral cartilage defects using a dynamometer. RESULTS: The structured scaffolds showed a higher adhesion capacity on the cartilage defect than the non-structured original scaffolds. CONCLUSIONS: The results suggest that the adhesion ability can be increased by means of biomimetic structured surfaces without the need of additional chemical treatment and thus significantly facilitate primary fixation procedures.
The two-state two-path model is introduced as a minimized model to describe the quantum dynamics of an electronic wave packet in the vicinity of a conical intersection. It involves two electronic potential energy surfaces each of which hosts a pair of quasi-classical trajectories over which the wave packet is assumed to be delocalized. When both trajectories evolve dynamically either diabatically or adiabatically, the full wave packet dynamics shows only features of the dynamics around avoided level crossings in the vicinity of the conical intersection. When one trajectory evolves adiabatically whereas the other trajectory follows a diabatic evolution, quantum mechanical interference of the wave packet components on each path generates Stueckelberg oscillations in the transition probability. These are surprisingly robust against a dissipative environment and, thus, should be a marker for conical intersections.
We present a scheme for cooling a vibrational mode of a magnetic molecular nanojunction by a spin-polarized charge current upon exploiting the interaction between its magnetic moment and the vibration. The spin-polarized charge current polarizes the magnetic moment of the nanoisland, thereby lowering its energy. A small but finite coupling between the vibration and the magnetic moment permits a direct exchange of energy such that vibrational energy can be transferred into the magnetic state. For positive bias voltages, this generates an effective cooling of the molecular vibrational mode. We determine parameter regimes for the cooling of the vibration to be optimal. Although the flowing charge current inevitably heats up the vibrational mode via Ohmic energy losses, we show that due to the magnetomechanical coupling, the vibrational energy (i.e, the effective phonon temperature) can be lowered below 50% of its initial value, when the two leads are polarized anti-parallel. In contrast to the cooling effect for positive bias voltages, net heating of the vibrational mode occurs for negative bias voltages. The cooling effect is enhanced for a stronger anti-parallel magnetic polarization of the leads, while the heating is stronger for a larger parallel polarization. Yet, dynamical cooling is also possible with parallel lead alignments when the two tunneling barriers are asymmetric.
Commonly, nanosystems are characterized by their response to time-dependent external fields in the presence of inevitable environmental fluctuations. The direct impact of the external driving on the environment is generally neglected. While this approach is satisfactory for macroscopic systems, on the nanoscale, an interaction of external fields with the environment is often unavoidable on principle. We extend the standard linear response theory of quantum dissipative systems to strongly driven baths. Significant modifications are found for two paradigm examples. First, we evaluate the polarizability of a molecule immersed in a strongly polarizable medium that responds to terahertz radiation. We find an increase of the molecular polarizability by about 30%. Second, we determine the response of a semiconductor quantum dot in close proximity to a metallic nanoparticle. Both are placed in a polarizable medium and exposed to electromagnetic irradiation. We show that the response of the quantum dot is qualitatively modified by the driven nanoparticle, including the generation of an additional channel of stimulated emission.
When an open quantum system is driven by an external time-dependent force, the coupling of the driving to the central system is usually included, whereas the impact of the driving field on the bath is neglected. We investigate the effect of a quantum bath of linearly driven harmonic oscillators on the relaxation dynamics of a quantum two-level system which is not directly driven. In particular, we calculate the frequency-dependent response of the system when the bath is subject to Dirac and Gaussian driving pulses. We show that a time-retarded effective force on the system is induced by the driven bath which depends on the full history of the perturbation and the spectral characteristics of the underlying bath. In particular, when a structured Ohmic bath with a pronounced Lorentzian peak is considered, the dynamical response of the system to a driven bath is qualitatively different than that of the undriven bath. Specifically, additional resonances appear which can be directly associated with a Jaynes-Cummings-like effective energy spectrum.
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.