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Showing papers by "Technical University of Berlin published in 2004"


Journal ArticleDOI
TL;DR: In this paper, the optical properties of excitonic recombinations in bulk, n-type ZnO are investigated by photoluminescence (PL) and spatially resolved cathodoluminecence (CL) measurements.
Abstract: The optical properties of excitonic recombinations in bulk, n-type ZnO are investigated by photoluminescence (PL) and spatially resolved cathodoluminescence (CL) measurements. At liquid helium temperature in undoped crystals the neutral donor bound excitons dominate in the PL spectrum. Two electron satellite transitions (TES) of the donor bound excitons allow to determine the donor binding energies ranging from 46 to 73 meV. These results are in line with the temperature dependent Hall effect measurements. In the as-grown crystals a shallow donor with an activation energy of 30 meV controls the conductivity. Annealing annihilates this shallow donor which has a bound exciton recombination at 3.3628 eV. Correlated by magnetic resonance experiments we attribute this particular donor to hydrogen. The Al, Ga and In donor bound exciton recombinations are identified based on doping and diffusion experiments and using secondary ion mass spectroscopy. We give a special focus on the recombination around 3.333 eV, i.e. about 50 meV below the free exciton transition. From temperature dependent measurements one obtains a small thermal activation energy for the quenching of the luminescence of 10 ± 2 meV despite the large localization energy of 50 meV. Spatially resolved CL measurements show that the 3.333 eV lines are particularly strong at crystal irregularities and occur only at certain spots hence are not homogeneously distributed within the crystal contrary to the bound exciton recombinations. We attribute them to excitons bound to structural defects (Y-line defect) very common in II–VI semiconductors. For the bound exciton lines which seem to be correlated with Li and Na doping we offer a different interpretation. Li and Na do not introduce any shallow acceptor level in ZnO which otherwise should show up in donor–acceptor pair recombinations. Nitrogen creates a shallow acceptor level in ZnO. Donor–acceptor pair recombination with the 165 meV deep N-acceptor is found in nitrogen doped and implanted ZnO samples, respectively. In the best undoped samples excited rotational states of the donor bound excitons can be seen in low temperature PL measurements. At higher temperatures we also see the appearance of the excitons bound to the B-valence band, which are approximately 4.7 meV higher in energy. (© 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)

1,550 citations


Journal ArticleDOI
TL;DR: The symmetry–imposed selection rules for double–resonant Raman scattering in graphite are developed and an excellent agreement is found between the graphite phonon dispersion from double– ResonantRaman scattering and other experimental methods.
Abstract: We present a review of the Raman spectra of graphite from an experimental and theoretical point of view. The disorder-induced Raman bands in this material have been a puzzling Raman problem for almost 30 years. Double-resonant Raman scattering explains their origin as well as the excitation-energy dependence, the overtone spectrum and the difference between Stokes and anti-Stokes scattering. We develop the symmetry-imposed selection rules for double-resonant Raman scattering in graphite and point out misassignments in previously published works. An excellent agreement is found between the graphite phonon dispersion from double-resonant Raman scattering and other experimental methods.

1,132 citations


Journal ArticleDOI
TL;DR: In this article, a review of the potential applications of ultrasound in the field of food preservation and product modification is discussed, focusing on the potential for improving existing processes as well as developing new process options.
Abstract: Ultrasound has attracted considerable interest in food science and technology due to its promising effects in food processing and preservation. As one of the advanced food technologies it can be applied to develop gentle but targeted processes to improve the quality and safety of processed foods and offers the potential for improving existing processes as well as for developing new process options. Some applications like cutting or sieving have already found their place as state of the art technologies. Others are currently considered as possible candidates for industrial application. In this review selected and potential applications of ultrasound mainly in the field of food preservation and product modification are discussed.

674 citations


Journal ArticleDOI
TL;DR: In this paper, the authors investigated the effect of 14 C-glucose addition on the mineralisation of charred maize and rye residues and oak wood (thermally altered at 800 C).

580 citations


Journal ArticleDOI
TL;DR: A multi-informant longitudinal research design in the European automotive industry investigating collaboration between and within teams shows that collaborative processes during the project have predictive properties in regard to later team performance and can serve as early warning indicators.
Abstract: Organizations increasingly set up multiteam projects for the development of highly complex products. While team research has emphasized the importance of team-internal processes for smaller scale projects, we know little about collaborative processes (especially between teams) in such large-scale projects. This study utilizes a multi-informant longitudinal research design on a product development project (39 teams, 36 months) in the European automotive industry investigating collaboration between and within teams. The results of the study demonstrate that interteam coordination, project commitment, and teamwork quality as rated by the team members at Time 1 (Month 12; end of concept phase) are significantly correlated to project managers' ratings of overall team performance at Time 3 (Month 36; end of project). The process variables measured at Time 2 (Month 24; end of design phase) display generally weaker correlations with team performance at Time 3. Multiple regression analyses further detail the effects of collaborative processes within and between teams on different measures of team performance (i.e., overall performance, quality, budget, schedule). The results show that collaborative processes during the project have predictive properties in regard to later team performance and can serve as early warning indicators. Furthermore, the results of this study provide support for our hypotheses predicting positive relationships between interteam coordination, project commitment, and teamwork quality. Theoretical and practical implications of this study are discussed.

572 citations


Journal ArticleDOI
TL;DR: A double mutant lacking both bacillomycin D and fengycin was heavily impaired in its ability to inhibit growth of phytopathogenic fungi, suggesting that both lipopeptides act in a synergistic manner.
Abstract: The environmental strain Bacillus amyloliquefaciens FZB42 promotes plant growth and suppresses plant pathogenic organisms present in the rhizosphere. We sampled sequenced the genome of FZB42 and identified 2,947 genes with >50% identity on the amino acid level to the corresponding genes of Bacillus subtilis 168. Six large gene clusters encoding nonribosomal peptide synthetases (NRPS) and polyketide synthases (PKS) occupied 7.5% of the whole genome. Two of the PKS and one of the NRPS encoding gene clusters were unique insertions in the FZB42 genome and are not present in B. subtilis 168. Matrix-assisted laser desorption ionization-time of flight mass spectrometry analysis revealed expression of the antibiotic lipopeptide products surfactin, fengycin, and bacillomycin D. The fengycin (fen) and the surfactin (srf) operons were organized and located as in B. subtilis 168. A large 37.2-kb antibiotic DNA island containing the bmy gene cluster was attributed to the biosynthesis of bacillomycin D. The bmy island was found inserted close to the fen operon. The responsibility of the bmy, fen, and srf gene clusters for the production of the corresponding secondary metabolites was demonstrated by cassette mutagenesis, which led to the loss of the ability to produce these peptides. Although these single mutants still largely retained their ability to control fungal spread, a double mutant lacking both bacillomycin D and fengycin was heavily impaired in its ability to inhibit growth of phytopathogenic fungi, suggesting that both lipopeptides act in a synergistic manner.

568 citations


Journal ArticleDOI
TL;DR: The experimental design explicitly addresses criticisms provoked by previous biodiversity experiments, in particular, the choice of functional groups, the statistical separation of sampling versus complementarity effects, and testing for the effects of particular functional groups differ from previous experiments.

526 citations


Journal ArticleDOI
TL;DR: In this article, a basic framework for the successful implementation of a technology-oriented business strategy is developed, consisting of four elements: business strategy, network competence, technological competence and innovation success.

469 citations


Journal ArticleDOI
TL;DR: In this paper, the authors measured the dispersion of graphite optical phonons in the in-plane Brillouin zone by inelastic x-ray scattering and showed that first-principles calculations describe very well the vibrational properties of graphene once the long-range character of the dynamical matrix is taken into account.
Abstract: We measured the dispersion of the graphite optical phonons in the in-plane Brillouin zone by inelastic x-ray scattering. The longitudinal and transverse optical branches cross along the � -K as well as the � -M direction. The dispersion of the optical phonons was, in general, stronger than expected from the literature. At the K point the transverse optical mode has a minimum and is only � 70 cm � 1 higher in frequency than the longitudinal mode. We show that first-principles calculations describe very well the vibrational properties of graphene once the long-range character of the dynamical matrix is taken into account.

437 citations


Journal ArticleDOI
TL;DR: In this paper, the theory of gravitational lensing is reviewed from a spacetime perspective, without quasi-Newtonian approximations, where light propagation is described in terms of lightlike geodesics of a metric of Lorentzian signature, and the basic equations and relevant techniques for calculating the position, shape, and brightness of images in an arbitrary general-relativistic spacetime.
Abstract: The theory of gravitational lensing is reviewed from a spacetime perspective, without quasi-Newtonian approximations More precisely, the review covers all aspects of gravitational lensing where light propagation is described in terms of lightlike geodesics of a metric of Lorentzian signature It includes the basic equations and the relevant techniques for calculating the position, the shape, and the brightness of images in an arbitrary general-relativistic spacetime It also includes general theorems on the classification of caustics, on criteria for multiple imaging, and on the possible number of images The general results are illustrated with examples of spacetimes where the lensing features can be explicitly calculated, including the Schwarzschild spacetime, the Kerr spacetime, the spacetime of a straight string, plane gravitational waves, and others

416 citations


Proceedings ArticleDOI
20 Sep 2004
TL;DR: A mechanism is introduced that determines theQoS of a Web service composition by aggregating the QoS dimensions of the individual services by building upon abstract composition patterns derived from Van der Aalst's et al. comprehensive collection of workflow patterns.
Abstract: Contributions in the field of Web services have identified that (a) finding matches between semantic descriptions of advertised and requested services and (b) nonfunctional characteristics - the quality of service (QoS) - are the most crucial criteria for composition of Web services. A mechanism is introduced that determines the QoS of a Web service composition by aggregating the QoS dimensions of the individual services. This allows to verify whether a set of services selected for composition satisfies the QoS requirements for the whole composition. The aggregation performed builds upon abstract composition patterns, which represent basic structural elements of a composition, like sequence, loop, or parallel execution. This work focusses on workflow management environments. We define composition patterns that are derived from Van der Aalst's et al. comprehensive collection of workflow patterns. The resulting aggregation schema supports the same structural elements as found in workflows. Furthermore, the aggregation of several QoS dimensions is discussed.

Journal ArticleDOI
TL;DR: From resonant Raman scattering on isolated nanotubes, the optical transition energies, the radial breathing mode frequency, and the Raman intensity of both metallic and semiconducting tubes are obtained.
Abstract: From resonant Raman scattering on isolated nanotubes we obtained the optical transition energies, the radial breathing mode frequency, and the Raman intensity of both metallic and semiconducting tubes. We unambiguously assigned the chiral index (n(1),n(2)) of approximately 50 nanotubes based solely on a third-neighbor tight-binding Kataura plot and find omega(RBM)=(214.4+/-2) cm(-1) nm/d+(18.7+/-2) cm(-1). In contrast to luminescence experiments we observe all chiralities including zigzag tubes. The Raman intensities have a systematic chiral-angle dependence confirming recent ab initio calculations.

Journal ArticleDOI
TL;DR: The use of lignocellulosic fibers, pineapple leaf fiber (PALF) and sisal as reinforcements in thermoplastic and thermosetting resins for developing low cost and lightweight composites is an emerging field of research in polymer science and technology as discussed by the authors.
Abstract: Summary: The use of lignocellulosic fibers, pineapple leaf fiber (PALF) and sisal as reinforcements in thermoplastic and thermosetting resins for developing low cost and lightweight composites is an emerging field of research in polymer science and technology. Although, these biofibers have several advantages, such as low densities, low cost, nonabrasive nature, high filling level possible, low energy consumption, high specific properties, biodegradability, etc., over synthetic fibers, the absorption of moisture by untreated biofibers, poor wettability, and insufficient adhesion between the polymer matrix and fiber deteriorate the mechanical properties of composites made up of these biofibers. Therefore, the modification of these fibers is a key area of research at present to obtain optimum fiber-matrix properties. This review article is concerned with the structure, composition and properties of PALF and sisal, the chemical modifications of these fibers and PALF/sisal-reinforced thermosets, thermoplastics, rubber, cement, hybrids and biocomposites. Scanning electron micrograph of tensile fractured surface of alkali treated sisal fiber (magnification ×500).

Journal ArticleDOI
TL;DR: The adsorption of water in two mesoporous silica materials with cylindrical pores of uniform diameter, MCM-41 and SBA-15, was studied by 1H MAS (MAS=magic angle spinning) and static solid-state NMR spectroscopy and all observed hydrogen atoms are either surface -SiOH groups or hydrogen-bonded water molecules.
Abstract: The adsorption of water in two mesoporous silica materials with cylindrical pores of uniform diameter, MCM-41 and SBA-15, was studied by 1H MAS (MAS=magic angle spinning) and static solid-state NMR spectroscopy. All observed hydrogen atoms are either surface -SiOH groups or hydrogen-bonded water molecules. Unlike MCM-41, some strongly bound water molecules exist at the inner surfaces of SBA-15 that are assigned to surface defects. At higher filling levels, a further difference between MCM-41 and SBA-15 is observed. Water molecules in MCM-41 exhibit a bimodal line distribution of chemical shifts, with one peak at the position of inner-bulk water, and the second peak at the position of water molecules in fast exchange with surface -SiOH groups. In SBA-15, a single line is observed that shifts continuously as the pore filling is increased. This result is attributed to a different pore-filling mechanism for the two silica materials. In MCM-41, due to its small pore diameter (3.3 nm), pore filling by pore condensation (axial-pore-filling mode) occurs at a low relative pressure, corresponding roughly to a single adsorbed monolayer. For SBA-15, owing to its larger pore diameter (8 nm), a gradual increase in the thickness of the adsorbed layer (radial-pore-filling mode) prevails until pore condensation takes place at a higher level of pore filling.

Journal ArticleDOI
TL;DR: In this article, the suitability of selected commercially available hyperbranched polymers and ionic liquids as entrainers for the extractive distillation and as extraction solvents for the liquid-liquid extraction is investigated.
Abstract: In this work the suitability of selected commercially available hyperbranched polymers and ionic liquids as entrainers for the extractive distillation and as extraction solvents for the liquid–liquid extraction is investigated. Based on thermodynamic studies on the influence of hyperbranched polymers and ionic liquids on the vapor–liquid and liquid–liquid equilibrium of the azeotropic ethanol–water and THF–water systems, process simulations are carried out, which allow evaluating the potential of hyperbranched polymers and ionic liquids as selective components for the mentioned applications in terms of feasibility and energetic efficiency. Both hyperbranched polymers and ionic liquids break a variety of azeotropic systems. Since their selectivity, capacity, viscosity, and thermal stability can be customized, they appear superior to many conventional entrainers and extraction solvents. For the ethanol–water separation, the nonvolatile substances hyperbranched polyglycerol and [EMIM][BF4] show a remarkable entrainer performance and therefore enable extractive distillation processes, which require less energy than the conventional process using 1,2-ethanediol as an entrainer. Evaluation of a new THF–water separation process indicates the competitiveness of the suggested process and a considerable potential of using hyperbranched polymers as extraction solvents. © 2004 American Institute of Chemical Engineers AIChE J, 50: 2439 –2454, 2004


Journal ArticleDOI
TL;DR: In this paper, the Lazarus theory is used as a basis for developing a model to explain how leadership affects cognitive processes of perceiving the work setting (need for and susceptibility to change), innovative behaviors (generation and testing of ideas, and implementation), and innovation-blocking behaviors (intrapsychic coping and flight).
Abstract: The Lazarus theory, which has been adapted to the context of innovation, is used as a basis for developing a model to explain how leadership affects cognitive processes of perceiving the work setting (need for and susceptibility to change), innovative behaviors (generation and testing of ideas, and implementation), and innovation-blocking behaviors (intrapsychic coping and flight). Leadership is described in terms of selected bases of influence (identification, expert knowledge/information, granting freedom and autonomy, support for innovation, and openness of the decision-making process). The model's explanatory power is tested on a sample of 399 middle managers from different German organizations of various sizes and sectors. Hierarchical regression analyses show that granting freedom and autonomy and using expert knowledge and information have the most positive effect on these cognitive processes and innovative behaviors, and the most negative effect on innovation-blocking behaviors.

Journal ArticleDOI
TL;DR: In this paper, the rheological properties of two varieties of rice with Hydroxy propyl methyl cellulose (HPMC) added as gluten substitute were studied using a farinograph and a rheometer and compared with wheat dough to find its suitability for making rice bread.

Journal ArticleDOI
TL;DR: This article provides a domain-structured edge-to-edge view for the network control to embrace the heterogeneity arising from the different network control technologies, and aims for an instant network composition to allow rapid adaptation of the network domain topology as required for moving networks.
Abstract: In this article we present a new networking concept referred to as ambient networks, which aims to enable the cooperation of heterogeneous networks belonging to different operator or technology domains. We aim to provide a domain-structured edge-to-edge view for the network control to embrace the heterogeneity arising from the different network control technologies. In this way, it appears as homogeneous to the users of the network services. We aim for an instant network composition to allow rapid adaptation of the network domain topology as required for moving networks. This new view of network composition allows us to treat the communication endpoints as a special case of network domains as well. We introduce the ambient control space, which enables the ambient networks concept and introduce its main features. Two ambient control space functions, media delivery and generic link layer, are presented in more detail. AMBIENT NETWORKS: AN ARCHITECTURE FOR COMMUNICATION NETWORKS BEYOND 3G

Journal ArticleDOI
TL;DR: In this article, the feasibility of using silica aerogels as oral drug delivery systems was investigated and it was demonstrated that for all three drugs investigated here, high loading of the aerogel could be achieved.
Abstract: The feasibility of silica aerogels as oral drug delivery systems was investigated. Silica aerogels were loaded with several drugs by adsorption from their solutions in supercritical CO2. It was demonstrated that for all three drugs investigated here, high loading of the aerogel could be achieved. The loaded aerogels were characterized by IR- and UV spectroscopy and X-ray diffraction in order to show that no degradation of the drugs occurred during the loading procedure. The release profiles of two drugs (ketoprofen and griseofulvin) from loaded aerogels were measured. It was found that the drugs adsorbed on hydrophilic silica aerogels dissolve faster than the corresponding crystalline drugs. This fact can be explained by both an increase in the specific surface area of the drug adsorbed on the aerogel and its non-crystallinity in this state. The influence of density and hydrophobicity of aerogels on both the adsorption and release of drugs were studied.

Journal ArticleDOI
TL;DR: In this article, the effects of spin changes on the efficiencies and product distributions of gas-phase ion-molecule reactions are analyzed, and the examples discussed include metal- as well as non-metal containing systems, with some emphasis on various types of bond activation by "naked" transition-metal cations and structurally simple cationic transition metal oxides.

Proceedings ArticleDOI
20 Jun 2004
TL;DR: Two generic rendez-vous schemes for dense wireless sensor networks, including the transmitter- and receiver-initiated cycled receiver schemes, are proposed, and precise guidelines and optimization strategies for synchronization in Wireless sensor networks are proposed.
Abstract: We propose two generic rendez-vous schemes for dense wireless sensor networks, including the transmitter- and receiver-initiated cycled receiver schemes. Our studies include the analyses and comparisons of their power efficiencies, especially under a fading channel as a realistic physical layer. We believe our modeling strategies as well as the results are applicable to any rendez-vous scheme of the cycled- receiver nature. The paper further proposes precise guidelines and optimization strategies for synchronization in wireless sensor networks.

Journal ArticleDOI
TL;DR: A new linearization technique is briefly introduced and demonstrated how it can be used to improve structure preservation and with this the accuracy and efficiency of linearization based methods.
Abstract: We discuss the state of the art in numerical solution methods for large scale polynomial or rational eigenvalue problems. We present the currently available solution methods such as the Jacobi-Davidson, Arnoldi or the rational Krylov method and analyze their properties. We briefly introduce a new linearization technique and demonstrate how it can be used to improve structure preservation and with this the accuracy and efficiency of linearization based methods. We present several recent applications where structured and unstructured nonlinear eigenvalue problems arise and some numerical results. (© 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)

Journal ArticleDOI
TL;DR: This paper explored three aspects of strategic uncertainty: its relation to risk, predictability of behavior and subjective beliefs of players, and showed that the best response to observed behavior is close to the global game solution.
Abstract: This paper explores three aspects of strategic uncertainty: its relation to risk, predictability of behavior and subjective beliefs of players. In a laboratory experiment we measure subjects' certainty equivalents for three coordination games and one lottery. Behavior in coordination games is related to risk aversion, experience seeking, and age. From the distribution of certainty equivalents we estimate probabilities for successful coordination in a wide range of games. For many games, success of coordination is predictable with a reasonable error rate. The best response to observed behavior is close to the global-game solution. Comparing choices in coordination games with revealed risk aversion, we estimate subjective probabilities for successful coordination. In games with a low coordination requirement, most subjects underestimate the probability of success. In games with a high coordination requirement, most subjects overestimate this probability. Estimating probabilistic decision models, we show that the quality of predictions can be improved when individual characteristics are taken into account. Subjects' behavior is consistent with probabilistic beliefs about the aggregate outcome, but inconsistent with probabilistic beliefs about individual behavior.

Journal ArticleDOI
TL;DR: The advanced phosphorus removal by adsorption was studied for its suitability as a post-treatment step for membrane bioreactor effluents low in P concentration and particle content and dissolved organic carbon appears to be the strongest competitor for adsorbents.

Journal ArticleDOI
TL;DR: In this article, a study of CO formation for steam reforming of methanol on a commercial CuO/ZnO/Al2O3 catalyst has been performed in the temperature range 230-300°C and at atmospheric pressure.
Abstract: A study of CO formation for steam reforming of methanol on a commercial CuO/ZnO/Al2O3 catalyst has been performed in the temperature range 230–300 °C and at atmospheric pressure. The reaction schemes considered in this work are the methanol–steam reforming (SR) reaction and the reverse water gas-shift (rWGS) reaction. Power rate laws for the SR and reverse WGS reactions were used in a refinement of rate equations to the experiment data. For the temperature range studied the reaction order of methanol was determined under differential conversion (less than 10%) and was found to be 0.2. The integral method (partial pressure of the reactants and products measured as a function of contact time) was then applied to determine the reaction rate constants, activation energies, and pre-exponential factors for both reactions. The experimental results of CO partial pressure as a function of contact time at different reaction temperatures show very clearly that CO was formed as a consecutive product. The implications of the reaction scheme, in particular with respect to the production of CO as a secondary product, are discussed in the framework of on-board production of H2 for fuel cell applications in automobiles. Potential chemical engineering solutions for minimizing CO production are outlined.

Journal ArticleDOI
TL;DR: Degenerate primers targeting conserved regions in reductive dehalogenase (RDase) genes were designed and used to PCR amplify putative RDase genes from strain BAV1, and the complete sequence of bvcA was obtained.
Abstract: Dehalococcoides sp. strain BAV1 couples growth with the reductive dechlorination of vinyl chloride (VC) to ethene. Degenerate primers targeting conserved regions in reductive dehalogenase (RDase) genes were designed and used to PCR amplify putative RDase genes from strain BAV1. Seven unique RDase gene fragments were identified. Transcription analysis of VC-grown BAV1 cultures suggested that bvcA was involved in VC reductive dechlorination, and the complete sequence of bvcA was obtained. bvcA was absent in Dehalococcoides isolates that failed to respire VC, yet was detected in four of eight VC-respiring mixed cultures.

Journal ArticleDOI
TL;DR: In this article, the crystal structure of photosystem II (PSII) from the cyanobacterium Thermosynechococcus elongatus at 3.2 A resolution is presented.
Abstract: In the crystal structure of photosystem II (PSII) from the cyanobacterium Thermosynechococcus elongatus at 3.2 A resolution, several loop regions of the principal protein subunits are now defined that were not interpretable previously at 3.8 A resolution. The head groups and side chains of the organic cofactors of the electron transfer chain and of antenna chlorophyll a (Chl a) have been modeled, coordinating and hydrogen bonding amino acids identified and the nature of the binding pockets derived. The orientations of these cofactors resemble those of the reaction center from anoxygenic purple bacteria, but differences in hydrogen bonding and protein environment modulate their properties and provide the unique high redox potential (1.17 V) of the primary donor. Coordinating amino acids of manganese cluster, redox-active TyrZ and non-haem Fe2+ have been determined, and an all-trans β-carotene connects cytochrome b-559, ChlZ and primary electron donor (coordinates are available under PDB-code 1W5C).

Journal ArticleDOI
TL;DR: Approximations of the optimal solution of the continuous optimal control problem will be constructed by a projection of the discrete adjoint state by proving that these approximations have convergence order h2.
Abstract: An optimal control problem for a two-dimensional (2-d) elliptic equation is investigated with pointwise control constraints. This paper is concerned with discretization of the control by piecewise constant functions. The state and the adjoint state are discretized by linear finite elements. Approximations of the optimal solution of the continuous optimal control problem will be constructed by a projection of the discrete adjoint state. It is proved that these approximations have convergence order h2.

Journal ArticleDOI
TL;DR: In this article, the authors present a comprehensive analysis of double-resonant Raman scattering in graphite and derive an analytical expression for the Raman cross section of the D mode in one dimension.
Abstract: We present a comprehensive analysis of double-resonant Raman scattering in graphite and derive an analytical expression for the Raman cross section of the D mode in one dimension. The extension to two dimensions does not change the double-resonant phonon wave vectors. In the full integration of the Raman cross section, the contributions by phonons from exactly the K point cancel due to destructive interference. We calculate the D mode explicitly based on recent experimental data of the graphite phonon dispersion. Applying the selection rules, a mapping of additional disorder-induced and second-order Raman modes onto the Brillouin zone of graphite is obtained. DOI: 10.1103/PhysRevB.70.155403