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Sample records for vibrational excitons simulating

  1. Anatomy of an Exciton : Vibrational Distortion and Exciton Coherence in H- and J-Aggregates

    NARCIS (Netherlands)

    Tempelaar, Roel; Stradomska, Anna; Knoester, Jasper; Spano, Frank C.

    2013-01-01

    In organic materials, coupling of electronic excitations to vibrational degrees of freedom results in polaronic excited states. Through numerical calculations, we demonstrate that the vibrational distortion field accompanying such a polaron scales as the product of the excitonic interaction field

  2. Impact of undamped and damped intramolecular vibrations on the efficiency of photosynthetic exciton energy transfer

    Science.gov (United States)

    Juhász, Imre Benedek; Csurgay, Árpád I.

    2018-04-01

    In recent years, the role of molecular vibrations in exciton energy transfer taking place during the first stage of photosynthesis attracted increasing interest. Here, we present a model formulated as a Lindblad-type master equation that enables us to investigate the impact of undamped and especially damped intramolecular vibrational modes on the exciton energy transfer, particularly its efficiency. Our simulations confirm the already reported effects that the presence of an intramolecular vibrational mode can compensate the energy detuning of electronic states, thus promoting the energy transfer; and, moreover, that the damping of such a vibrational mode (in other words, vibrational relaxation) can further enhance the efficiency of the process by generating directionality in the energy flow. As a novel result, we show that this enhancement surpasses the one caused by pure dephasing, and we present its dependence on various system parameters (time constants of the environment-induced relaxation and excitation processes, detuning of the electronic energy levels, frequency of the intramolecular vibrational modes, Huang-Rhys factors, temperature) in dimer model systems. We demonstrate that vibrational-relaxation-enhanced exciton energy transfer (VREEET) is robust against the change of these characteristics of the system and occurs in wide ranges of the investigated parameters. With simulations performed on a heptamer model inspired by the Fenna-Matthews-Olson (FMO) complex, we show that this mechanism can be even more significant in larger systems at T = 300 K. Our results suggests that VREEET might be prevalent in light-harvesting complexes.

  3. Chromophore-Dependent Intramolecular Exciton-Vibrational Coupling in the FMO Complex: Quantification and Importance for Exciton Dynamics.

    Science.gov (United States)

    Padula, Daniele; Lee, Myeong H; Claridge, Kirsten; Troisi, Alessandro

    2017-11-02

    In this paper, we adopt an approach suitable for monitoring the time evolution of the intramolecular contribution to the spectral density of a set of identical chromophores embedded in their respective environments. We apply the proposed method to the Fenna-Matthews-Olson (FMO) complex, with the objective to quantify the differences among site-dependent spectral densities and the impact of such differences on the exciton dynamics of the system. Our approach takes advantage of the vertical gradient approximation to reduce the computational demands of the normal modes analysis. We show that the region of the spectral density that is believed to strongly influence the exciton dynamics changes significantly in the timescale of tens of nanoseconds. We then studied the impact of the intramolecular vibrations on the exciton dynamics by considering a model of FMO in a vibronic basis and neglecting the interaction with the environment to isolate the role of the intramolecular exciton-vibration coupling. In agreement with the assumptions in the literature, we demonstrate that high frequency modes at energy much larger than the excitonic energy splitting have negligible influence on exciton dynamics despite the large exciton-vibration coupling. We also find that the impact of including the site-dependent spectral densities on exciton dynamics is not very significant, indicating that it may be acceptable to apply the same spectral density on all sites. However, care needs to be taken for the description of the exciton-vibrational coupling in the low frequency part of intramolecular modes because exciton dynamics is more susceptible to low frequency modes despite their small Huang-Rhys factors.

  4. How exciton-vibrational coherences control charge separation in the photosystem II reaction center.

    Science.gov (United States)

    Novoderezhkin, Vladimir I; Romero, Elisabet; van Grondelle, Rienk

    2015-12-14

    In photosynthesis absorbed sun light produces collective excitations (excitons) that form a coherent superposition of electronic and vibrational states of the individual pigments. Two-dimensional (2D) electronic spectroscopy allows a visualization of how these coherences are involved in the primary processes of energy and charge transfer. Based on quantitative modeling we identify the exciton-vibrational coherences observed in 2D photon echo of the photosystem II reaction center (PSII-RC). We find that the vibrations resonant with the exciton splittings can modify the delocalization of the exciton states and produce additional states, thus promoting directed energy transfer and allowing a switch between the two charge separation pathways. We conclude that the coincidence of the frequencies of the most intense vibrations with the splittings within the manifold of exciton and charge-transfer states in the PSII-RC is not occurring by chance, but reflects a fundamental principle of how energy conversion in photosynthesis was optimized.

  5. Influence of intra-pigment vibrations on dynamics of photosynthetic exciton.

    Science.gov (United States)

    Sato, Yoshihiro; Doolittle, Brian

    2014-11-14

    We have numerically investigated the effect of an underdamped intra-pigment vibrational mode on an exciton's quantum coherence and energy transfer efficiency. Our model describes a bacteriochlorophyll a pigment-protein dimer under the conditions at which photosynthetic energy transfer occurs. The dimer is modeled using a theoretical treatment of a vibronic exciton, and its dynamics are numerically analyzed using a non-Markovian and non-perturbative method. We examined the system's response to various values of the Huang-Rhys factor, site energy difference, reorganization energy, and reorganization energy difference. We found that the inclusion of the intra-pigment vibronic mode allows for long-lived oscillatory quantum coherences to occur. This excitonic coherence is robust against static site-energy disorder. The vibrational mode also promotes exciton transfer along the site-energy landscape thus improving the overall energy transfer efficiency.

  6. Influence of intra-pigment vibrations on dynamics of photosynthetic exciton

    International Nuclear Information System (INIS)

    Sato, Yoshihiro; Doolittle, Brian

    2014-01-01

    We have numerically investigated the effect of an underdamped intra-pigment vibrational mode on an exciton's quantum coherence and energy transfer efficiency. Our model describes a bacteriochlorophyll a pigment-protein dimer under the conditions at which photosynthetic energy transfer occurs. The dimer is modeled using a theoretical treatment of a vibronic exciton, and its dynamics are numerically analyzed using a non-Markovian and non-perturbative method. We examined the system's response to various values of the Huang-Rhys factor, site energy difference, reorganization energy, and reorganization energy difference. We found that the inclusion of the intra-pigment vibronic mode allows for long-lived oscillatory quantum coherences to occur. This excitonic coherence is robust against static site-energy disorder. The vibrational mode also promotes exciton transfer along the site-energy landscape thus improving the overall energy transfer efficiency

  7. Influence of intra-pigment vibrations on dynamics of photosynthetic exciton

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Yoshihiro, E-mail: sato.yoshihiro77@nihon-u.ac.jp, E-mail: ysato.colby@gmail.com; Doolittle, Brian [Department of Physics and Astronomy, Colby College, Waterville, Maine 04901 (United States)

    2014-11-14

    We have numerically investigated the effect of an underdamped intra-pigment vibrational mode on an exciton's quantum coherence and energy transfer efficiency. Our model describes a bacteriochlorophyll a pigment-protein dimer under the conditions at which photosynthetic energy transfer occurs. The dimer is modeled using a theoretical treatment of a vibronic exciton, and its dynamics are numerically analyzed using a non-Markovian and non-perturbative method. We examined the system's response to various values of the Huang-Rhys factor, site energy difference, reorganization energy, and reorganization energy difference. We found that the inclusion of the intra-pigment vibronic mode allows for long-lived oscillatory quantum coherences to occur. This excitonic coherence is robust against static site-energy disorder. The vibrational mode also promotes exciton transfer along the site-energy landscape thus improving the overall energy transfer efficiency.

  8. Excitons

    International Nuclear Information System (INIS)

    Kozhushner, M.

    1975-01-01

    The theory of quasi particles is explained to layman readers and the significance of the discovery of excitons is pointed out. New possibilities of the study of electron-hole interactions and of superconductivity are indicated. (L.O.)

  9. Excitons

    Energy Technology Data Exchange (ETDEWEB)

    Kozhushner, M

    1975-06-01

    The theory of quasi particles is explained to layman readers and the significance of the discovery of excitons is pointed out. New possibilities of the study of electron-hole interactions and of superconductivity are indicated.

  10. How exciton-vibrational coherences control charge separation in the photosystem II reaction center

    NARCIS (Netherlands)

    Novoderezhkin, V.I.; Romero Mesa, E.; van Grondelle, R.

    2015-01-01

    In photosynthesis absorbed sun light produces collective excitations (excitons) that form a coherent superposition of electronic and vibrational states of the individual pigments. Two-dimensional (2D) electronic spectroscopy allows a visualization of how these coherences are involved in the primary

  11. Exciton Transport Simulations in Phenyl Cored Thiophene Dendrimers

    Science.gov (United States)

    Kim, Kwiseon; Erkan Kose, Muhammet; Graf, Peter; Kopidakis, Nikos; Rumbles, Garry; Shaheen, Sean E.

    2009-03-01

    Phenyl cored 3-arm and 4-arm thiophene dendrimers are promising materials for use in photovoltaic devices. It is important to understand the energy transfer mechanisms in these molecules to guide the synthesis of novel dendrimers with improved efficiency. A method is developed to estimate the exciton diffusion lengths for the dendrimers and similar chromophores in amorphous films. The approach exploits Fermi's Golden Rule to estimate the energy transfer rates for an ensemble of bimolecular complexes in random orientations. Using Poisson's equation to evaluate Coulomb integrals led to efficient calculation of excitonic couplings between the transition densities. Monte-Carlo simulations revealed the dynamics of energy transport in the dendrimers. Experimental exciton diffusion lengths of the dendrimers range 10 ˜ 20 nm, increasing with the size of the dendrimer. Simulated diffusion lengths correlate well with experiments. The chemical structure of the chromophore, the shape of the transition densities and the exciton lifetime are found to be the most important factors that determine the exciton diffusion length in amorphous films.

  12. Multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) approach to the correlated exciton-vibrational dynamics in the FMO complex

    Energy Technology Data Exchange (ETDEWEB)

    Schulze, Jan; Kühn, Oliver, E-mail: oliver.kuehn@uni-rostock.de [Institut für Physik, Universität Rostock, Albert-Einstein-Str. 23-24, 18059 Rostock (Germany); Shibl, Mohamed F., E-mail: mfshibl@qu.edu.qa; Al-Marri, Mohammed J. [Gas Processing Center, College of Engineering, Qatar University, P.O. Box 2713, Doha (Qatar)

    2016-05-14

    The coupled quantum dynamics of excitonic and vibrational degrees of freedom is investigated for high-dimensional models of the Fenna-Matthews-Olson complex. This includes a seven- and an eight-site model with 518 and 592 harmonic vibrational modes, respectively. The coupling between local electronic transitions and vibrations is described within the Huang-Rhys model using parameters that are obtained by discretization of an experimental spectral density. Different pathways of excitation energy flow are analyzed in terms of the reduced one-exciton density matrix, focussing on the role of vibrational and vibronic excitations. Distinct features due to both competing time scales of vibrational and exciton motion and vibronically assisted transfer are observed. The question of the effect of initial state preparation is addressed by comparing the case of an instantaneous Franck-Condon excitation at a single site with that of a laser field excitation.

  13. Exciton–vibrational coupling in the dynamics and spectroscopy of Frenkel excitons in molecular aggregates

    International Nuclear Information System (INIS)

    Schröter, M.; Ivanov, S.D.; Schulze, J.; Polyutov, S.P.; Yan, Y.; Pullerits, T.; Kühn, O.

    2015-01-01

    The influence of exciton–vibrational coupling on the optical and transport properties of molecular aggregates is an old problem that gained renewed interest in recent years. On the experimental side, various nonlinear spectroscopic techniques gave insight into the dynamics of systems as complex as photosynthetic antennae. Striking evidence was gathered that in these protein–pigment complexes quantum coherence is operative even at room temperature conditions. Investigations were triggered to understand the role of vibrational degrees of freedom, beyond that of a heat bath characterized by thermal fluctuations. This development was paralleled by theory, where efficient methods emerged, which could provide the proper frame to perform non-Markovian and non-perturbative simulations of exciton–vibrational dynamics and spectroscopy. This review summarizes the state of affairs of the theory of exciton–vibrational interaction in molecular aggregates and photosynthetic antenna complexes. The focus is put on the discussion of basic effects of exciton–vibrational interaction from the stationary and dynamics points of view. Here, the molecular dimer plays a prominent role as it permits a systematic investigation of absorption and emission spectra by numerical diagonalization of the exciton–vibrational Hamiltonian in a truncated Hilbert space. An extension to larger aggregates, having many coupled nuclear degrees of freedom, becomes possible with the Multi-Layer Multi-Configuration Time-Dependent Hartree (ML-MCTDH) method for wave packet propagation. In fact it will be shown that this method allows one to approach the limit of almost continuous spectral densities, which is usually the realm of density matrix theory. Real system–bath situations are introduced for two models, which differ in the way strongly coupled nuclear coordinates are treated, as a part of the relevant system or the bath. A rather detailed exposition of the Hierarchy Equations Of Motion (HEOM

  14. Simulating Excitons in MoS2 with Time-Dependent Density Functional Theory

    Science.gov (United States)

    Flamant, Cedric; Kolesov, Grigory; Kaxiras, Efthimios

    Monolayer molybdenum disulfide, owing to its graphene-like two-dimensional geometry whilst still having a finite bandgap, is a material of great interest in condensed matter physics and for potential application in electronic devices. In particular, MoS2 exhibits significant excitonic effects, a desirable quality for fundamental many-body research. Time-dependent density functional theory (TD-DFT) allows us to simulate dynamical effects as well as temperature-based effects in a natural way given the direct treatment of the time evolution of the system. We present a TD-DFT study of monolayer MoS2 exciton dynamics, examining various qualitative and quantitative predictions in pure samples and in the presence of defects. In particular, we generate an absorption spectrum through simulated pulse excitation for comparison to experiment and also analyze the response of the exciton in an external electric field.In this work we also discuss the electronic structure of the exciton in MoS2 with and without vacancies.

  15. Femtosecond Study of Self-Trapped Vibrational Excitons in Crystalline Acetanilide

    Science.gov (United States)

    Edler, J.; Hamm, P.; Scott, A. C.

    2002-02-01

    Femtosecond IR spectroscopy of delocalized NH excitations of crystalline acetanilide confirms that self-trapping in hydrogen-bonded peptide units exists and does stabilize the excitation. Two phonons with frequencies of 48 and 76 cm -1 are identified as the major degrees of freedom that mediate self-trapping. After selective excitation of the free exciton, self-trapping occurs within a few 100 fs. Excitation of the self-trapped states disappears from the spectral window of this investigation on a 1 ps time scale, followed by a slow ground state recovery of the hot ground state within 18 ps.

  16. Determination of the Absolute Configurations Using Exciton Chirality Method for Vibrational Circular Dichroism: Right Answers for the Wrong Reasons?

    Science.gov (United States)

    Covington, Cody L; Nicu, Valentin P; Polavarapu, Prasad L

    2015-10-22

    Quantum chemical (QC) predictions of vibrational circular dichroism (VCD) spectra for the keto form of 3-benzoylcamphor and conformationally flexible diacetates of spiroindicumide A and B are presented. The exciton chirality (EC) model has been briefly reviewed, and a procedure to evaluate the relevance of the EC model has been presented. The QC results are compared with literature experimental VCD spectra as well as with those obtained using the EC model for VCD. These comparisons reveal that the EC contributions to bisignate VCD couplets associated with the C═O stretching vibrations of benzoylcamphor, spiroindicumide A diacetate, and spiroindicumide B diacetate are only ∼30%, ∼3%, and ∼15%, respectively. With such meager EC contributions, the correct absolute configurations (ACs) suggested in the literature for spiroindicumide A diacetate and spiroindicumide B diacetate molecules using the EC concepts can be considered fortuitous. The possibilities for obtaining wrong AC predictions using the EC concepts for VCD are identified, and guidelines for the future use of this model are presented.

  17. Multi-Exciter Vibroacoustic Simulation of Hypersonic Flight Vibration

    International Nuclear Information System (INIS)

    GREGORY, DANNY LYNN; CAP, JEROME S.; TOGAMI, THOMAS C.; NUSSER, MICHAEL A.; HOLLINGSHEAD, JAMES RONALD

    1999-01-01

    Many aerospace structures must survive severe high frequency, hypersonic, random vibration during their flights. The random vibrations are generated by the turbulent boundary layer developed along the exterior of the structures during flight. These environments have not been simulated very well in the past using a fixed-based, single exciter input with an upper frequency range of 2 kHz. This study investigates the possibility of using acoustic ardor independently controlled multiple exciters to more accurately simulate hypersonic flight vibration. The test configuration, equipment, and methodology are described. Comparisons with actual flight measurements and previous single exciter simulations are also presented

  18. Simulation of nonlinear random vibrations using artificial neural networks

    Energy Technology Data Exchange (ETDEWEB)

    Paez, T.L.; Tucker, S.; O`Gorman, C.

    1997-02-01

    The simulation of mechanical system random vibrations is important in structural dynamics, but it is particularly difficult when the system under consideration is nonlinear. Artificial neural networks provide a useful tool for the modeling of nonlinear systems, however, such modeling may be inefficient or insufficiently accurate when the system under consideration is complex. This paper shows that there are several transformations that can be used to uncouple and simplify the components of motion of a complex nonlinear system, thereby making its modeling and random vibration simulation, via component modeling with artificial neural networks, a much simpler problem. A numerical example is presented.

  19. Simulation on Vehicle Vibration Offset of NX70 Flatcar

    Directory of Open Access Journals (Sweden)

    Han Yanhui

    2014-11-01

    Full Text Available The current rolling stock gauge for standard gauge railway is a static gauge to check the vehicle frame. The contradiction of large construction gauge and small rolling stock gauge has always existed. It is important to set down the clearance requirements in respect of physical size for the safe passage of rail vehicles. Reasonably determining the maximum vibration offset can improve the efficiency of clearance. As an example, analyze the complex vibration of NX70 flat car by simulation test on the running track. Comprehensive considering the track model, loading plan, line conditions and running speed, then SIMPACK is used to present the vehicle system dynamics simulation model. After researching simulation result, respectively determine the maximum vehicle vibration offset for railroads of Class I, Class II and Class III on the height of the center of gravity 2000 mm and 2400 mm. According to the clearance between the structure gauge and the position of maximum vibration offset, analyze the safety of vehicle operation since the center of gravity is higher than before.

  20. Actuator Placement in Multi-Degree-of-Freedom Vibration Simulators

    Directory of Open Access Journals (Sweden)

    Norman Fitz-Coy

    1994-01-01

    Full Text Available A method for comparing candidate actuator configurations for multi-degree-of-freedom (MDOF vibration simulators is presented. The method has its roots in the comparison of achievable subspaces and maximum error bounds; the comparison is accomplished via a QR decomposition. In instances where two configurations yield the same error bound, the ratio of the largest to smallest singular value is used to determine the “best” configuration. Both amplitude bounds at given sensor locations and relative significance of each sensor's output, if known, can be incorporated in the analysis. Through numerical examples, it is demonstrated that no simple rule of thumb criterion appears to exist for the selection of actuator placement in MDOF vibration simulators.

  1. Numerical simulation of flow-induced vibrations in tube bundles

    International Nuclear Information System (INIS)

    Elisabeth Longatte; Zaky Bendjeddou; Mhamed Souli

    2005-01-01

    Full text of publication follows: In many industrial components mechanical structures like rod cluster control assembly, fuel assembly and heat exchanger tube bundles are submitted to complex flows causing possible vibrations and damage. Fluid forces are usually split into two parts: structure motion independent forces and fluid-elastic forces coupled with tube motion and responsible for possible dynamic instability development leading to possible short term failures through high amplitude vibrations. Most classical fluid force identification methods rely on structure response experimental measurements associated with convenient data processes. Owing to recent improvements in Computational Fluid Dynamics (C.F.D.), numerical fluid force identification is now practicable in the presence of industrial configurations. The present paper is devoted to numerical simulation of flow-induced vibrations of tube bundles submitted to single-phase cross flows by using C.F.D. codes. Direct Numerical Simulation (D.N.S.), Arbitrary Lagrange Euler formulation (A.L.E.) and code coupling process are involved to predict fluid forces responsible for tube bundle vibrations in the presence of fluid structure and fluid-elastic coupling effects. In the presence of strong multi-physics coupling, simulation of flow-induced vibrations requires a fluid structure code coupling process. The methodology consists in solving in the same time thermohydraulics and mechanics problems by using an A.L.E. formulation for the fluid computation. The purpose is to take into account coupling between flow and structure motions in order to be able to capture coupling effects. From a numerical point of view, there are three steps in the computation: the fluid problem is solved on the computational domain; fluid forces acting on the moving tube are estimated; finally they are introduced in the structure solver providing the tube displacement that is used to actualize the fluid computational domain. Specific

  2. Using piezo-electric material to simulate a vibration environment

    Science.gov (United States)

    Jepsen, Richard A.; Davie, Neil T.; Vangoethem, Douglas J.; Romero, Edward F.

    2010-12-14

    A target object can be vibrated using actuation that exploits the piezo-electric ("PE") property. Under combined conditions of vibration and centrifugal acceleration, a centrifugal load of the target object on PE vibration actuators can be reduced by using a counterweight that offsets the centrifugal loading. Target objects are also subjected to combinations of: spin, vibration, and acceleration; spin and vibration; and spin and acceleration.

  3. PGOPHER: A program for simulating rotational, vibrational and electronic spectra

    International Nuclear Information System (INIS)

    Western, Colin M.

    2017-01-01

    The PGOPHER program is a general purpose program for simulating and fitting molecular spectra, particularly the rotational structure. The current version can handle linear molecules, symmetric tops and asymmetric tops and many possible transitions, both allowed and forbidden, including multiphoton and Raman spectra in addition to the common electric dipole absorptions. Many different interactions can be included in the calculation, including those arising from electron and nuclear spin, and external electric and magnetic fields. Multiple states and interactions between them can also be accounted for, limited only by available memory. Fitting of experimental data can be to line positions (in many common formats), intensities or band contours and the parameters determined can be level populations as well as rotational constants. PGOPHER is provided with a powerful and flexible graphical user interface to simplify many of the tasks required in simulating, understanding and fitting molecular spectra, including Fortrat diagrams and energy level plots in addition to overlaying experimental and simulated spectra. The program is open source, and can be compiled with open source tools. This paper provides a formal description of the operation of version 9.1. - Highlights: • Easy-to-use graphical interface for assigning and understanding molecular spectra. • Simulates rotational and vibrational structure of many types of molecular spectra. • Fits molecular properties to line positions or spectral contours. • Handles linear molecules and symmetric and asymmetric tops. • Handles perturbations, nuclear and electron spin, and electric and magnetic fields.

  4. CFD simulation on flow induced vibrations in high pressure control and emergency stop turbine valve

    International Nuclear Information System (INIS)

    Lindqvist, H.

    2011-01-01

    During the refuelling outage at Unit 2 of Forsmark NPP in 2009, the high pressure turbine valves were replaced. Three month after recommissioning, an oil pipe connected to one of the actuators was broken. Measurements showed high-frequency vibration levels. The pipe break was suspected to be an effect of highly increased vibrations caused by the new valve. In order to establish the origin of the vibrations, investigations by means of CFD-simulations were made. The simulations showed that the increased vibrations most likely stems from the open cavity that the valves centre consists of. (author)

  5. Exciton Seebeck effect in molecular systems

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Yun-An, E-mail: yunan@nano.gznc.edu.cn [Guizhou Provincial Key Laboratory of Computational Nanomaterial Science, Guizhou Normal College, Guiyang, Guizhou 550018 (China); Cai, Shaohong [Guizhou Key Laboratory of Economic System Simulation, Guizhou University of Finance and Economics, Guiyang 550004 (China)

    2014-08-07

    We investigate the exciton dynamics under temperature difference with the hierarchical equations of motion. Through a nonperturbative simulation of the transient absorption of a heterogeneous trimer model, we show that the temperature difference causes exciton population redistribution and affects the exciton transfer time. It is found that one can reproduce not only the exciton population redistribution but also the change of the exciton transfer time induced by the temperature difference with a proper tuning of the site energies of the aggregate. In this sense, there exists a site energy shift equivalence for any temperature difference in a broad range. This phenomenon is similar to the Seebeck effect as well as spin Seebeck effect and can be named as exciton Seebeck effect.

  6. Linear response properties required to simulate vibrational spectra of biomolecules in various media: (R)-phenyloxirane (A comparative theoretical and spectroscopic vibrational study)

    DEFF Research Database (Denmark)

    Jalkanen, Karl J.; Jürgensen, Vibeke Würtz; Degtyarenko, I.M.

    2005-01-01

    We here present a combined VA, VCD, Raman and ROA vibrational study of phenyloxirane. We have simulated the vibrational absorption (VA), also called IR, vibrational circular dichroism (VCD), Raman scattering and Raman optical activity (ROA) intensities utilizing the density functional theory (DFT...

  7. Simulation of excitonic optical line shapes of cyclic oligomers - models for basic units of photosynthetic antenna systems: Transfer integral versus local energy fluctuations with dichotomic coloured noise

    International Nuclear Information System (INIS)

    Barvik, I.; Reineker, P.; Warns, C.; Neidlinger, T.

    1995-08-01

    For Frenkel excitons moving on cyclic and linear molecular chains modeling in part photosynthetic antenna systems we investigate the influence of dynamic and static disorder on their optical line shapes. The dynamic disorder describes the influence of vibrational degrees of freedom and is taken into account by fluctuations of the transfer matrix element between neighbouring molecules. The fluctuations are represented by dichotomic Markov processes with coloured noise. We obtain a closed set of equations of motion for the correlation functions determining the optical line shape which is solved exactly. The line shapes are discussed for various sets of the model parameters and arrangements of molecules and their dipole moments. (author). 63 refs, 10 figs

  8. Mixed quantum-classical simulations of the vibrational relaxation of photolyzed carbon monoxide in a hemoprotein

    Energy Technology Data Exchange (ETDEWEB)

    Schubert, Alexander, E-mail: schubert@irsamc.ups-tlse.fr; Meier, Christoph [Laboratoire Collisions Agrégats et Réactivité, IRSAMC, UMR CNRS 5589, Université Paul Sabatier, 31062 Toulouse (France); Falvo, Cyril [Institut des Sciences Moléculaires d’Orsay (ISMO), CNRS, Univ. Paris-Sud, Université Paris-Saclay, 91405 Orsay (France)

    2016-08-07

    We present mixed quantum-classical simulations on relaxation and dephasing of vibrationally excited carbon monoxide within a protein environment. The methodology is based on a vibrational surface hopping approach treating the vibrational states of CO quantum mechanically, while all remaining degrees of freedom are described by means of classical molecular dynamics. The CO vibrational states form the “surfaces” for the classical trajectories of protein and solvent atoms. In return, environmentally induced non-adiabatic couplings between these states cause transitions describing the vibrational relaxation from first principles. The molecular dynamics simulation yields a detailed atomistic picture of the energy relaxation pathways, taking the molecular structure and dynamics of the protein and its solvent fully into account. Using the ultrafast photolysis of CO in the hemoprotein FixL as an example, we study the relaxation of vibrationally excited CO and evaluate the role of each of the FixL residues forming the heme pocket.

  9. Forced vibration tests and simulation analyses of a nuclear reactor building. Part 2: simulation analyses

    International Nuclear Information System (INIS)

    Kuno, M.; Nakagawa, S.; Momma, T.; Naito, Y.; Niwa, M.; Motohashi, S.

    1995-01-01

    Forced vibration tests of a BWR-type reactor building. Hamaoka Unit 4, were performed. Valuable data on the dynamic characteristics of the soil-structure interaction system were obtained through the tests. Simulation analyses of the fundamental dynamic characteristics of the soil-structure system were conducted, using a basic lumped mass soil-structure model (lattice model), and strong correlation with the measured data was obtained. Furthermore, detailed simulation models were employed to investigate the effects of simultaneously induced vertical response and response of the adjacent turbine building on the lateral response of the reactor building. (author). 4 refs., 11 figs

  10. Simulation of fuel rods vibration in power reactors by vibration of tape coated with cadmium

    International Nuclear Information System (INIS)

    Holland, L.

    1982-01-01

    The circulation of cooling water in light water power reactor makes a vibration in internal components. The monitoring of those vibrations is necessary aiming to the safety use of reactors. Aiming at study those vibrations a neutron absorber, type vibratory tape was introduced in the core of a research reactor type Pulstar, operating at 80 W of power. The induced power variations were measured with an ionization chamber put besides the reactor core. The detector signal was recorded and analysed in a PDP-11 computer. The analysis of the results show that the power density of the detector signal, and thus, the power reactor, increase in the O-25 Hz range with an increase in the pulse height vibration. (E.G.) [pt

  11. Excitons in insulators

    International Nuclear Information System (INIS)

    Grasser, R.; Scharmann, A.

    1983-01-01

    This chapter investigates absorption, reflectivity, and intrinsic luminescence spectra of free and/or self-trapped (localized) excitons in alkali halides and rare gas solids. Introduces the concepts underlying the Wannier-Mott and Frenkel exciton models, two extreme pictures of an exciton in crystalline materials. Discusses the theoretical and experimental background; excitons in alkali halides; and excitons in rare gas solids. Shows that the intrinsic optical behavior of wide gap insulators in the range of the fundamental absorption edge is controlled by modified Wannier-Mott excitons. Finds that while that alkali halides only show free and relaxed molecular-like exciton emission, in rare gas crystals luminescence due to free, single and double centered localized excitons is observed. Indicates that the simultaneous existence of free and self-trapped excitons in these solid requires an energy barrier for self-trapping

  12. Simulation Study on Material Property of Cantilever Piezoelectric Vibration Generator

    Directory of Open Access Journals (Sweden)

    Yan Zhen

    2014-06-01

    Full Text Available For increasing generating capacity of cantilever piezoelectric vibration generator with limited volume, relation between output voltage, inherent frequency and material parameter of unimorph, bimorph in series type and bimorph in parallel type piezoelectric vibration generator is analyzed respectively by mechanical model and finite element modeling. The results indicate PZT-4, PZT- 5A and PZT-5H piezoelectric materials and stainless steel, nickel alloy substrate material should be firstly chosen.

  13. Analysis and simulation of centrifugal pendulum vibration absorbers

    OpenAIRE

    Smith, Emma

    2015-01-01

    When environmental laws are constricted and downsizing of engines has become the reality of the vehicle industry, there needs to be a solution for the rise in torsion vibrations in the drivetrain. These increased levels of torsion vibrations are mostly due to excitations from the firing pulses, which in turn have become increased due to higher cylinder pressures. One of the solutions for further dampening the system is to add a centrifugal pendulum absorber to the flywheel, and predicting the...

  14. Influence of Wheel Eccentricity on Vertical Vibration of Suspended Monorail Vehicle: Experiment and Simulation

    OpenAIRE

    Kaikai Lv; Kaiyun Wang; Zhihui Chen; Chengbiao Cai; Lirong Guo

    2017-01-01

    This paper investigates the influence of wheel eccentricity on vertical vibration of suspended monorail vehicle based on experiment and simulation. Two sets of tests are conducted in the first Chinese suspended monorail, and the tested acceleration is analyzed and exhibited. A multibody dynamic model of the suspended monorail vehicle is established to simulate the vertical vibration of car body excited by wheel eccentricity. The results show that there are three factors which may cause an abn...

  15. Design, simulation, fabrication, and characterization of MEMS vibration energy harvesters

    Science.gov (United States)

    Oxaal, John

    Energy harvesting from ambient sources has been a longtime goal for microsystem engineers. The energy available from ambient sources is substantial and could be used to power wireless micro devices, making them fully autonomous. Self-powered wireless sensors could have many applications in for autonomous monitoring of residential, commercial, industrial, geological, or biological environments. Ambient vibrations are of particular interest for energy harvesting as they are ubiquitous and have ample kinetic energy. In this work a MEMS device for vibration energy harvesting using a variable capacitor structure is presented. The nonlinear electromechanical dynamics of a gap-closing type structure is experimentally studied. Important experimental considerations such as the importance of reducing off-axis vibration during testing, characterization methods, dust contamination, and the effect of grounding on parasitic capacitance are discussed. A comprehensive physics based model is developed and validated with two different microfabricated devices. To achieve maximal power, devices with high aspect ratio electrodes and a novel two-level stopper system are designed and fabricated. The maximum achieved power from the MEMS device when driven by sinusoidal vibrations was 3.38 muW. Vibrations from HVAC air ducts, which have a primary frequency of 65 Hz and amplitude of 155 mgrms, are targeted as the vibration source and devices are designed for maximal power harvesting potential at those conditions. Harvesting from the air ducts, the devices reached 118 nW of power. When normalized to the operating conditions, the best figure of merit of the devices tested was an order of magnitude above state-of-the-art of the devices (1.24E-6).

  16. Engineering Vibrationally Assisted Energy Transfer in a Trapped-Ion Quantum Simulator

    Science.gov (United States)

    Gorman, Dylan J.; Hemmerling, Boerge; Megidish, Eli; Moeller, Soenke A.; Schindler, Philipp; Sarovar, Mohan; Haeffner, Hartmut

    2018-01-01

    Many important chemical and biochemical processes in the condensed phase are notoriously difficult to simulate numerically. Often, this difficulty arises from the complexity of simulating dynamics resulting from coupling to structured, mesoscopic baths, for which no separation of time scales exists and statistical treatments fail. A prime example of such a process is vibrationally assisted charge or energy transfer. A quantum simulator, capable of implementing a realistic model of the system of interest, could provide insight into these processes in regimes where numerical treatments fail. We take a first step towards modeling such transfer processes using an ion-trap quantum simulator. By implementing a minimal model, we observe vibrationally assisted energy transport between the electronic states of a donor and an acceptor ion augmented by coupling the donor ion to its vibration. We tune our simulator into several parameter regimes and, in particular, investigate the transfer dynamics in the nonperturbative regime often found in biochemical situations.

  17. Simulations of vibrational relaxation in dense molecular fluids

    International Nuclear Information System (INIS)

    Holian, B.L.

    1985-07-01

    In the understanding of high-temperatre and -pressure chemistry in explosives, first step is the study of the transfer of energy from translational degrees of freedom into internal vibrations of the molecules. We present new methods using nonequilibrium molecular dynamics (NEMD) for measuring vibrational relaxation in a diatomic fluid, where we expect a classical treatment of many-body collisions to be relevant because of the high densities (2 to 3 times compressed compared to the normal fluid) and high temperatures (2000 to 4000 K) involved behind detonation waves. NEMD techniques are discussed, including their limitations, and qualitative results presented

  18. Numerical Simulation of Airfoil Vibrations Induced by Turbulent Flow

    Czech Academy of Sciences Publication Activity Database

    Feistauer, M.; Horáček, Jaromír; Sváček, P.

    2015-01-01

    Roč. 17, č. 1 (2015), s. 146-188 ISSN 1815-2406 R&D Projects: GA ČR(CZ) GAP101/11/0207 Institutional support: RVO:61388998 Keywords : fluid-structure interaction * flow induced vibrations * turbulence models * finite element method Subject RIV: BI - Acoustics Impact factor: 1.778, year: 2015

  19. A Coupling Vibration Test Bench and the Simulation Research of a Maglev Vehicle

    Directory of Open Access Journals (Sweden)

    Weihua Ma

    2015-01-01

    Full Text Available To study the characteristics of the coupling vibration between a maglev vehicle and its track beam system and to improve the performance of the levitation system, a new type of vibration test bench was developed. Take a single maglev frame as the study object; simulation of the coupling vibration of the maglev vehicle, levitation system, and track beam were achieved. In addition, all types of real track irregularity excitations can be simulated using hydraulic actuators of the test bench. To expand the research scope, a simulation model was developed that can conduct the simulation research synergistically with the test bench. Based on a dynamics model of the test bench, the dynamics simulation method determined the influence on the levitation control performance of three factors: the track beam support stiffness, the track beam mass, and the track irregularity. The vibration resonance phenomenon of the vehicle/track system was reproduced by the dynamics simulation, and a portion of the simulation results were validated by the test results. By combining the test bench and the dynamics model, experiments can be guided by the simulation results, and the experimental results can validate the dynamics simulation results.

  20. State-to-state models of vibrational relaxation in Direct Simulation Monte Carlo (DSMC)

    Science.gov (United States)

    Oblapenko, G. P.; Kashkovsky, A. V.; Bondar, Ye A.

    2017-02-01

    In the present work, the application of state-to-state models of vibrational energy exchanges to the Direct Simulation Monte Carlo (DSMC) is considered. A state-to-state model for VT transitions of vibrational energy in nitrogen and oxygen, based on the application of the inverse Laplace transform to results of quasiclassical trajectory calculations (QCT) of vibrational energy transitions, along with the Forced Harmonic Oscillator (FHO) state-to-state model is implemented in DSMC code and applied to flows around blunt bodies. Comparisons are made with the widely used Larsen-Borgnakke model and the in uence of multi-quantum VT transitions is assessed.

  1. Simulation Study of Electronic Damping of Microphonic Vibrations in Superconducting Cavities

    International Nuclear Information System (INIS)

    Alicia Hofler; Jean Delayen

    2005-01-01

    Electronic damping of microphonic vibrations in superconducting rf cavities involves an active modulation of the cavity field amplitude in order to induce ponderomotive forces that counteract the effect of ambient vibrations on the cavity frequency. In lightly beam loaded cavities, a reduction of the microphonics-induced frequency excursions leads directly to a reduction of the rf power required for phase and amplitude stabilization. Jefferson Lab is investigating such an electronic damping scheme that could be applied to the JLab 12 GeV upgrade, the RIA driver, and possibly to energy-recovering superconducting linacs. This paper discusses a model and presents simulation results for electronic damping of microphonic vibrations

  2. Influence of Wheel Eccentricity on Vertical Vibration of Suspended Monorail Vehicle: Experiment and Simulation

    Directory of Open Access Journals (Sweden)

    Kaikai Lv

    2017-01-01

    Full Text Available This paper investigates the influence of wheel eccentricity on vertical vibration of suspended monorail vehicle based on experiment and simulation. Two sets of tests are conducted in the first Chinese suspended monorail, and the tested acceleration is analyzed and exhibited. A multibody dynamic model of the suspended monorail vehicle is established to simulate the vertical vibration of car body excited by wheel eccentricity. The results show that there are three factors which may cause an abnormal vibration considering the track and the vehicle system. The influence of wheel eccentricity on the car body vibration was firstly analyzed. Simulated acceleration of car body has a great accordance with test. The wheel eccentricity could excite the resonance of car body at the speed of 21 km/h, and the vertical acceleration would increase considerably. Decreasing the secondary stiffness can effectively reduce the vertical vibration caused by wheel eccentricity, especially at the resonant speed. In the secondary test, the peak of car body acceleration at speed of 20 km/h is not appearing when only renewing the wheels, and the acceleration is decreasing obviously at the domain frequency. It is further determined that the abnormal vibration is mainly caused by the wheel eccentricity.

  3. Surface hopping simulation of vibrational predissociation of methanol dimer

    Science.gov (United States)

    Jiang, Ruomu; Sibert, Edwin L.

    2012-06-01

    The mixed quantum-classical surface hopping method is applied to the vibrational predissociation of methanol dimer, and the results are compared to more exact quantum calculations. Utilizing the vibrational SCF basis, the predissociation problem is cast into a curve crossing problem between dissociative and quasibound surfaces with different vibrational character. The varied features of the dissociative surfaces, arising from the large amplitude OH torsion, generate rich predissociation dynamics. The fewest switches surface hopping algorithm of Tully [J. Chem. Phys. 93, 1061 (1990), 10.1063/1.459170] is applied to both diabatic and adiabatic representations. The comparison affords new insight into the criterion for selecting the suitable representation. The adiabatic method's difficulty with low energy trajectories is highlighted. In the normal crossing case, the diabatic calculations yield good results, albeit showing its limitation in situations where tunneling is important. The quadratic scaling of the rates on coupling strength is confirmed. An interesting resonance behavior is identified and is dealt with using a simple decoherence scheme. For low lying dissociative surfaces that do not cross the quasibound surface, the diabatic method tends to overestimate the predissociation rate whereas the adiabatic method is qualitatively correct. Analysis reveals the major culprits involve Rabi-like oscillation, treatment of classically forbidden hops, and overcoherence. Improvements of the surface hopping results are achieved by adopting a few changes to the original surface hopping algorithms.

  4. Numerical Modelling and Simulation of Dynamic Parameters for Vibration Driven Mobile Robot: Preliminary Study

    Science.gov (United States)

    Baharudin, M. E.; Nor, A. M.; Saad, A. R. M.; Yusof, A. M.

    2018-03-01

    The motion of vibration-driven robots is based on an internal oscillating mass which can move without legs or wheels. The oscillation of the unbalanced mass by a motor is translated into vibration which in turn produces vertical and horizontal forces. Both vertical and horizontal oscillations are of the same frequency but the phases are shifted. The vertical forces will deflect the bristles which cause the robot to move forward. In this paper, the horizontal motion direction caused by the vertically vibrated bristle is numerically simulated by tuning the frequency of their oscillatory actuation. As a preliminary work, basic equations for a simple off-centered vibration location on the robot platform and simulation model for vibration excitement are introduced. It involves both static and dynamic vibration analysis of robots and analysis of different type of parameters. In addition, the orientation of the bristles and oscillators are also analysed. Results from the numerical integration seem to be in good agreement with those achieved from the literature. The presented numerical integration modeling can be used for designing the bristles and controlling the speed and direction of the robot.

  5. Confined exciton spectroscopy

    International Nuclear Information System (INIS)

    Torres, Clivia M.S.

    1998-01-01

    Full text: In this work, the exciton is considered as a sensor of the electronic and optical properties of materials such as semiconductors, which have size compared to the exciton De Broglie wavelength, approximately 20 nm, depending on the semiconductor. Examples of electron-phonon, electron-electron, photon-electron, exciton-polariton, phonon-plasmon, are presented, under different confinement conditions such as quantum wells, superlattices

  6. Flow-induced vibration analysis of a helical coil steam generator experiment using large eddy simulation

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Haomin; Solberg, Jerome; Merzari, Elia; Kraus, Adam; Grindeanu, Iulian

    2017-10-01

    This paper describes a numerical study of flow-induced vibration in a helical coil steam generator experiment conducted at Argonne National Laboratory in the 1980s. In the experiment, a half-scale sector model of a steam generator helical coil tube bank was subjected to still and flowing air and water, and the vibrational characteristics were recorded. The research detailed in this document utilizes the multi-physics simulation toolkit SHARP developed at Argonne National Laboratory, in cooperation with Lawrence Livermore National Laboratory, to simulate the experiment. SHARP uses the spectral element code Nek5000 for fluid dynamics analysis and the finite element code DIABLO for structural analysis. The flow around the coil tubes is modeled in Nek5000 by using a large eddy simulation turbulence model. Transient pressure data on the tube surfaces is sampled and transferred to DIABLO for the structural simulation. The structural response is simulated in DIABLO via an implicit time-marching algorithm and a combination of continuum elements and structural shells. Tube vibration data (acceleration and frequency) are sampled and compared with the experimental data. Currently, only one-way coupling is used, which means that pressure loads from the fluid simulation are transferred to the structural simulation but the resulting structural displacements are not fed back to the fluid simulation

  7. Numerical Simulation of the Vibration Behavior of Curved Carbon Nanotubes

    Directory of Open Access Journals (Sweden)

    Sadegh Imani Yengejeh

    2014-01-01

    Full Text Available Several zigzag and armchair single-walled carbon nanotubes (CNTs were modeled by a commercial finite element package and their vibrational behavior was studied. Numerous computational tests with different boundary conditions and different bending angles were performed. Both computational and analytical results were compared. It was shown that the computational results are in good agreement with the analytical calculations in the case of straight tubes. In addition, it was concluded that the natural frequency of straight armchair and zigzag CNTs increases by increasing the chiral number of both armchair and zigzag CNTs. It was also revealed that the natural frequency of CNTs with higher chirality decreases by introducing bending angles. Nevertheless, the influence of increasing bending angle on the natural frequency of armchair and zigzag CNTs with lower chiral number is almost negligible.

  8. Excitonic terahertz photoconductivity in intrinsic semiconductor nanowires

    Science.gov (United States)

    Yan, Jie-Yun

    2018-06-01

    Excitonic terahertz photoconductivity in intrinsic semiconductor nanowires is studied. Based on the excitonic theory, the numerical method to calculate the photoconductivity spectrum in the nanowires is developed, which can simulate optical pump terahertz-probe spectroscopy measurements on real nanowires and thereby calculate the typical photoconductivity spectrum. With the help of the energetic structure deduced from the calculated linear absorption spectrum, the numerically observed shift of the resonant peak in the photoconductivity spectrum is found to result from the dominant exciton transition between excited or continuum states to the ground state, and the quantitative analysis is in good agreement with the quantum plasmon model. Besides, the dependence of the photoconductivity on the polarization of the terahertz field is also discussed. The numerical method and supporting theoretical analysis provide a new tool for experimentalists to understand the terahertz photoconductivity in intrinsic semiconductor nanowires at low temperatures or for nanowires subjected to below bandgap photoexcitation, where excitonic effects dominate.

  9. A new reference tip-timing test bench and simulator for blade synchronous and asynchronous vibrations

    Science.gov (United States)

    Hajnayeb, Ali; Nikpour, Masood; Moradi, Shapour; Rossi, Gianluca

    2018-02-01

    The blade tip-timing (BTT) measurement technique is at present the most promising technique for monitoring the blades of axial turbines and aircraft engines in operating conditions. It is generally used as an alternative to strain gauges in turbine testing. By conducting a comparison with the standard methods such as those based on strain gauges, one determines that the technique is not intrusive and does not require a complicated installation process. Despite its superiority to other methods, the experimental performance analysis of a new BTT method needs a test stand that includes a reference measurement system (e.g. strain gauges equipped with telemetry or other complex optical measurement systems, like rotating laser Doppler vibrometers). In this article, a new reliable, low-cost BTT test setup is proposed for simulating and analyzing blade vibrations based on kinematic inversion. In the proposed test bench, instead of the blades vibrating, it is the BTT sensor that vibrates. The vibration of the sensor is generated by a shaker and can therefore be easily controlled in terms of frequency, amplitude and waveform shape. The amplitude of vibration excitation is measured by a simple accelerometer. After introducing the components of the simulator, the proposed test bench is used in practice to simulate both synchronous and asynchronous vibration scenarios. Then two BTT methods are used to evaluate the quality of the acquired data. The results demonstrate that the proposed setup is able to generate simulated pulse sequences which are almost the same as those generated by the conventional BTT systems installed around a bladed disk. Moreover, the test setup enables its users to evaluate BTT methods by using a limited number of sensors. This significantly reduces the total costs of the experiments.

  10. Impact-friction vibrations of tubular systems. Numerical simulation and experimental validation

    International Nuclear Information System (INIS)

    Jacquart, G.

    1993-05-01

    This note presents a summary on the numerical developments made to simulate impact-friction vibrations of tubular systems, detailing the algorithms used and the expression of impact and friction forces. A synthesis of the experimental results obtained on MASSIF workbench is also presented, as well as their comparison with numerical computations in order to validate the numerical approach. (author). 5 refs

  11. Two improvements on numerical simulation of 2-DOF vortex-induced vibration with low mass ratio

    Science.gov (United States)

    Kang, Zhuang; Ni, Wen-chi; Zhang, Xu; Sun, Li-ping

    2017-12-01

    Till now, there have been lots of researches on numerical simulation of vortex-induced vibration. Acceptable results have been obtained for fixed cylinders with low Reynolds number. However, for responses of 2-DOF vortex-induced vibration with low mass ratio, the accuracy is not satisfactory, especially for the maximum amplitudes. In Jauvtis and Williamson's work, the maximum amplitude of the cylinder with low mass ratio m*=2.6 can reach as large as 1.5 D to be called as the "super-upper branch", but from current literatures, few simulation results can achieve such value, even fail to capture the upper branch. Besides, it is found that the amplitude decays too fast in the lower branch with the RANS-based turbulence model. The reason is likely to be the defects of the turbulence model itself in the prediction of unsteady separated flows as well as the unreasonable setting of the numerical simulation parameters. Aiming at above issues, a modified turbulence model is proposed in this paper, and the effect of the acceleration of flow field on the response of vortex-induced vibration is studied based on OpenFOAM. By analyzing the responses of amplitude, phase and trajectory, frequency and vortex mode, it is proved that the vortex-induced vibration can be predicted accurately with the modified turbulence model under appropriate flow field acceleration.

  12. Research and implementation of simulation for TDICCD remote sensing in vibration of optical axis

    Science.gov (United States)

    Liu, Zhi-hong; Kang, Xiao-jun; Lin, Zhe; Song, Li

    2013-12-01

    During the exposure time, the charge transfer speed in the push-broom direction and the line-by-lines canning speed of the sensor are required to match each other strictly for a space-borne TDICCD push-broom camera. However, as attitude disturbance of satellite and vibration of camera are inevitable, it is impossible to eliminate the speed mismatch, which will make the signal of different targets overlay each other and result in a decline of image resolution. The effects of velocity mismatch will be visually observed and analyzed by simulating the degradation of image quality caused by the vibration of the optical axis, and it is significant for the evaluation of image quality and design of the image restoration algorithm. How to give a model in time domain and space domain during the imaging time is the problem needed to be solved firstly. As vibration information for simulation is usually given by a continuous curve, the pixels of original image matrix and sensor matrix are discrete, as a result, they cannot always match each other well. The effect of simulation will also be influenced by the discrete sampling in integration time. In conclusion, it is quite significant for improving simulation accuracy and efficiency to give an appropriate discrete modeling and simulation method. The paper analyses discretization schemes in time domain and space domain and presents a method to simulate the quality of image of the optical system in the vibration of the line of sight, which is based on the principle of TDICCD sensor. The gray value of pixels in sensor matrix is obtained by a weighted arithmetic, which solves the problem of pixels dismatch. The result which compared with the experiment of hardware test indicate that this simulation system performances well in accuracy and reliability.

  13. Simulation of vibration-induced effect on plasma current measurement using a fiber optic current sensor.

    Science.gov (United States)

    Descamps, Frédéric; Aerssens, Matthieu; Gusarov, Andrei; Mégret, Patrice; Massaut, Vincent; Wuilpart, Marc

    2014-06-16

    An accurate measurement of the plasma current is of paramount importance for controlling the plasma magnetic equilibrium in tokamaks. Fiber optic current sensor (FOCS) technology is expected to be implemented to perform this task in ITER. However, during ITER operation, the vessel and the sensing fiber will be subject to vibrations and thus to time-dependent parasitic birefringence, which may significantly compromise the FOCS performance. In this paper we investigate the effects of vibrations on the plasma current measurement accuracy under ITER-relevant conditions. The simulation results show that in the case of a FOCS reflection scheme including a spun fiber and a Faraday mirror, the error induced by the vibrations is acceptable regarding the ITER current diagnostics requirements.

  14. COMPENSATED INVERSE PID CONTROLLER FOR ACTIVE VIBRATION CONTROL WITH PIEZOELECTRIC PATCHES: MODELING, SIMULATION AND IMPLEMENTATION

    Directory of Open Access Journals (Sweden)

    Asan Gani

    2010-09-01

    Full Text Available Active vibration control of the first three modes of a vibrating cantilever beam using collocated piezoelectric sensor and actuator is examined in this paper. To achieve this, a model based on Euler-Bernoulli beam equation is adopted and extended to the case of three bonded piezoelectric patches that act as sensor, actuator and exciter respectively. A compensated inverse PID controller has been designed and developed to damp first three modes of vibration. Controllers have been designed for each mode and these are later combined in parallel to damp any of the three modes. Individual controller gives better reduction in sensor output for the second and third modes while the combined controller performs better for the first mode. Simulation studies are carried out using MATLAB. These results are compared and verified experimentally and the real-time implementation is carried out with xPC-target toolbox in MATLAB

  15. Postural stability effects of random vibration at the feet of construction workers in simulated elevation.

    Science.gov (United States)

    Simeonov, P; Hsiao, H; Powers, J; Ammons, D; Kau, T; Amendola, A

    2011-07-01

    The risk of falls from height on a construction site increases under conditions which degrade workers' postural control. At elevation, workers depend heavily on sensory information from their feet to maintain balance. The study tested two hypotheses: "sensory enhancement"--sub-sensory (undetectable) random mechanical vibrations at the plantar surface of the feet can improve worker's balance at elevation; and "sensory suppression"--supra-sensory (detectable) random mechanical vibrations can have a degrading effect on balance in the same experimental settings. Six young (age 20-35) and six aging (age 45-60) construction workers were tested while standing in standard and semi-tandem postures on instrumented gel insoles. The insoles applied sub- or supra-sensory levels of random mechanical vibrations to the feet. The tests were conducted in a surround-screen virtual reality system, which simulated a narrow plank at elevation on a construction site. Upper body kinematics was assessed with a motion-measurement system. Postural stability effects were evaluated by conventional and statistical mechanics sway measures, as well as trunk angular displacement parameters. Analysis of variance did not confirm the "sensory enhancement" hypothesis, but provided evidence for the "sensory suppression" hypothesis. The supra-sensory vibration had a destabilizing effect, which was considerably stronger in the semi-tandem posture and affected most of the sway variables. Sensory suppression associated with elevated vibration levels on a construction site may increase the danger of losing balance. Construction workers at elevation, e.g., on a beam or narrow plank might be at increased risk of fall if they can detect vibrations under their feet. To reduce the possibility of losing balance, mechanical vibration to supporting structures used as walking/working surfaces should be minimized when performing construction tasks at elevation. Published by Elsevier Ltd.

  16. Simulation of Vibrations in Real Time Plane Milling with Spindle Speed Correction

    Directory of Open Access Journals (Sweden)

    I. I. Ivanov

    2017-01-01

    Full Text Available In milling the hard-to-machine materials vibrations (chatter often arise from the high cutting forces if a technological system is insufficiently rigid.The main way to suppress these vibrations is to increase a stiffness of the mounting system of the tool and the work-piece to be machined. However, sometimes this method doesn’t lead to desirable result because of high values of intrinsic pliability of the tool and the work-piece. Currently, there are more complicated methods to ensure milling process quality. Among them there are three main groups:mathematical simulation of milling process dynamics and computation of processing parameters which provide high quality of machined surface, low level of vibrations and static deflections of a tool and a work-piece;introduction of the active vibration suppression devices into machine tool design; such devices include a vibration sensor, a feedback circuit, and an actuator which induces kinematic or force action on the oscillatory system;control of processing parameters, mainly of rotation frequency for minimizing the amplitudes of vibrations.The paper studies one of the 3rd group methods. There is a suggestion to process a signal of vibrational accelerations in real time and detect a chatter onset. If the chatter has been detected its frequency is to be identified, and the new value of rotation speed is set:where Ω – rotation frequency, rot/s; p – the tool eigenfrequency value identified during processing, Hz; z – mill tooth number; i – positive integer number; ε<1 – small positive parameter. In the current research it is assumed that ε = 0,2.The formula has been chosen because at the rotation frequency axis where tooth pass frequency is slightly less than the eigenfrequency divided by the integer value there are stable zones of dynamics in the milling process.The study shows a developed model of the plane milling dynamics. It includes a dynamic model of the tool, a model of cutting

  17. Simulations of the Temperature Dependence of Amide I Vibration

    Czech Academy of Sciences Publication Activity Database

    Kaminský, Jakub; Bouř, Petr; Kubelka, J.

    2011-01-01

    Roč. 115, č. 1 (2011), s. 30-34 ISSN 1089-5639 R&D Projects: GA AV ČR IAA400550702; GA ČR GPP208/10/P356 Grant - others:AV ČR(CZ) M200550902; NSF(US) CAREER 0846140 Institutional research plan: CEZ:AV0Z40550506 Keywords : IR * peptides * simulations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.946, year: 2011

  18. PGOPHER: A program for simulating rotational, vibrational and electronic spectra

    Science.gov (United States)

    Western, Colin M.

    2017-01-01

    The PGOPHER program is a general purpose program for simulating and fitting molecular spectra, particularly the rotational structure. The current version can handle linear molecules, symmetric tops and asymmetric tops and many possible transitions, both allowed and forbidden, including multiphoton and Raman spectra in addition to the common electric dipole absorptions. Many different interactions can be included in the calculation, including those arising from electron and nuclear spin, and external electric and magnetic fields. Multiple states and interactions between them can also be accounted for, limited only by available memory. Fitting of experimental data can be to line positions (in many common formats), intensities or band contours and the parameters determined can be level populations as well as rotational constants. PGOPHER is provided with a powerful and flexible graphical user interface to simplify many of the tasks required in simulating, understanding and fitting molecular spectra, including Fortrat diagrams and energy level plots in addition to overlaying experimental and simulated spectra. The program is open source, and can be compiled with open source tools. This paper provides a formal description of the operation of version 9.1.

  19. Excitonic processes at organic heterojunctions

    Science.gov (United States)

    He, ShouJie; Lu, ZhengHong

    2018-02-01

    Understanding excitonic processes at organic heterojunctions is crucial for development of organic semiconductor devices. This article reviews recent research on excitonic physics that involve intermolecular charge transfer (CT) excitons, and progress on understanding relationships between various interface energy levels and key parameters governing various competing interface excitonic processes. These interface excitonic processes include radiative exciplex emission, nonradiative recombination, Auger electron emission, and CT exciton dissociation. This article also reviews various device applications involving interface CT excitons, such as organic light-emitting diodes (OLEDs), organic photovoltaic cells, organic rectifying diodes, and ultralow-voltage Auger OLEDs.

  20. Are water simulation models consistent with steady-state and ultrafast vibrational spectroscopy experiments?

    International Nuclear Information System (INIS)

    Schmidt, J.R.; Roberts, S.T.; Loparo, J.J.; Tokmakoff, A.; Fayer, M.D.; Skinner, J.L.

    2007-01-01

    Vibrational spectroscopy can provide important information about structure and dynamics in liquids. In the case of liquid water, this is particularly true for isotopically dilute HOD/D 2 O and HOD/H 2 O systems. Infrared and Raman line shapes for these systems were measured some time ago. Very recently, ultrafast three-pulse vibrational echo experiments have been performed on these systems, which provide new, exciting, and important dynamical benchmarks for liquid water. There has been tremendous theoretical effort expended on the development of classical simulation models for liquid water. These models have been parameterized from experimental structural and thermodynamic measurements. The goal of this paper is to determine if representative simulation models are consistent with steady-state, and especially with these new ultrafast, experiments. Such a comparison provides information about the accuracy of the dynamics of these simulation models. We perform this comparison using theoretical methods developed in previous papers, and calculate the experimental observables directly, without making the Condon and cumulant approximations, and taking into account molecular rotation, vibrational relaxation, and finite excitation pulses. On the whole, the simulation models do remarkably well; perhaps the best overall agreement with experiment comes from the SPC/E model

  1. Vibrational characteristics of diethyltoluenediamines (DETDA) functionalized carbon nanotubes using molecular dynamics simulations

    International Nuclear Information System (INIS)

    Ajori, S.; Ansari, R.

    2015-01-01

    Functionalization of carbon nanotubes (CNTs) can be viewed as an important process by which the dispersion and solubility of CNTs in the matrices of nanocomposites are improved. Covalent functionalization can affect the mechanical behavior of CNTs. In this paper, the vibrational behavior of diethyltoluenediamines (DETDA) functionalized CNTs is investigated utilizing molecular dynamics simulations in canonical ensemble at room temperature. The models of simulations are divided into two categories of functionalized CNTs with regular and random distributions of DETDA polymers. The results demonstrate that natural frequency of functionalized CNTs is lower than that of pristine ones. Also, it is observed that buckling phenomenon occurs during vibration for functionalized CNTs with regular distribution of polymers. It is further observed that polymer mass and van der Waals (vdW) forces are responsible for frequency changes in functionalized CNTs with random and regular distribution patterns of CNTs, respectively

  2. Effects of vibration frequency on vibration-assisted nano-scratch process of mono-crystalline copper via molecular dynamics simulation

    Directory of Open Access Journals (Sweden)

    Bo Zhu

    2016-03-01

    Full Text Available It has always been a critical issue to understand the material removal behavior of Vibration-Assisted Machining (VAM, especially on atomic level. To find out the effects of vibration frequency on material removal response, a three-dimensional molecular dynamics (MD model has been established in this research to investigate the effects of scratched groove, crystal defects on the surface quality, comparing with the Von Mises shear strain and tangential force in simulations during nano-scratching process. Comparisons are made among the results of simulations from different vibration frequency with the same scratching feed, depth, amplitude and crystal orientation. Copper potential in this simulation is Embedded-Atom Method (EAM potential. Interaction between copper and carbon atoms is Morse potential. Simulational results show that higher frequency can make groove smoother. Simulation with high frequency creates more dislocations to improve the machinability of copper specimen. The changing frequency does not have evident effects on Von Mises shear strain. Higher frequency can decrease the tangential force to reduce the consumption of cutting energy and tool wear. In conclusion, higher vibration frequency in VAM on mono-crystalline copper has positive effects on surface finish, machinablility and tool wear reduction.

  3. Effects of vibration frequency on vibration-assisted nano-scratch process of mono-crystalline copper via molecular dynamics simulation

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Bo; Zhao, Hongwei, E-mail: hwzhao@jlu.edu.cn, E-mail: khl69@163.com; Zhao, Dan; Zhang, Peng; Yang, Yihan; Han, Lei [School of Mechanical Science and Engineering, Jilin University, 5988 Renmin Street, Changchun, Jilin 130025 (China); Kui, Hailin, E-mail: hwzhao@jlu.edu.cn, E-mail: khl69@163.com [School of Transportation, Jilin University, 5988 Renmin Street, Changchun, Jilin 130025 (China)

    2016-03-15

    It has always been a critical issue to understand the material removal behavior of Vibration-Assisted Machining (VAM), especially on atomic level. To find out the effects of vibration frequency on material removal response, a three-dimensional molecular dynamics (MD) model has been established in this research to investigate the effects of scratched groove, crystal defects on the surface quality, comparing with the Von Mises shear strain and tangential force in simulations during nano-scratching process. Comparisons are made among the results of simulations from different vibration frequency with the same scratching feed, depth, amplitude and crystal orientation. Copper potential in this simulation is Embedded-Atom Method (EAM) potential. Interaction between copper and carbon atoms is Morse potential. Simulational results show that higher frequency can make groove smoother. Simulation with high frequency creates more dislocations to improve the machinability of copper specimen. The changing frequency does not have evident effects on Von Mises shear strain. Higher frequency can decrease the tangential force to reduce the consumption of cutting energy and tool wear. In conclusion, higher vibration frequency in VAM on mono-crystalline copper has positive effects on surface finish, machinablility and tool wear reduction.

  4. Vibrational energy flow in the villin headpiece subdomain: Master equation simulations

    International Nuclear Information System (INIS)

    Leitner, David M.; Buchenberg, Sebastian; Brettel, Paul; Stock, Gerhard

    2015-01-01

    We examine vibrational energy flow in dehydrated and hydrated villin headpiece subdomain HP36 by master equation simulations. Transition rates used in the simulations are obtained from communication maps calculated for HP36. In addition to energy flow along the main chain, we identify pathways for energy transport in HP36 via hydrogen bonding between residues quite far in sequence space. The results of the master equation simulations compare well with all-atom non-equilibrium simulations to about 1 ps following initial excitation of the protein, and quite well at long times, though for some residues we observe deviations between the master equation and all-atom simulations at intermediate times from about 1–10 ps. Those deviations are less noticeable for hydrated than dehydrated HP36 due to energy flow into the water

  5. Vibrational energy flow in the villin headpiece subdomain: Master equation simulations

    Energy Technology Data Exchange (ETDEWEB)

    Leitner, David M., E-mail: dml@unr.edu, E-mail: stock@physik.uni-freiburg.de [Department of Chemistry and Chemical Physics Program, University of Nevada, Reno, Nevada 89557 (United States); Freiburg Institute for Advanced Studies (FRIAS), University of Freiburg, Freiburg (Germany); Buchenberg, Sebastian; Brettel, Paul [Biomolecular Dynamics, Institute of Physics, University of Freiburg, Freiburg (Germany); Stock, Gerhard, E-mail: dml@unr.edu, E-mail: stock@physik.uni-freiburg.de [Freiburg Institute for Advanced Studies (FRIAS), University of Freiburg, Freiburg (Germany); Biomolecular Dynamics, Institute of Physics, University of Freiburg, Freiburg (Germany)

    2015-02-21

    We examine vibrational energy flow in dehydrated and hydrated villin headpiece subdomain HP36 by master equation simulations. Transition rates used in the simulations are obtained from communication maps calculated for HP36. In addition to energy flow along the main chain, we identify pathways for energy transport in HP36 via hydrogen bonding between residues quite far in sequence space. The results of the master equation simulations compare well with all-atom non-equilibrium simulations to about 1 ps following initial excitation of the protein, and quite well at long times, though for some residues we observe deviations between the master equation and all-atom simulations at intermediate times from about 1–10 ps. Those deviations are less noticeable for hydrated than dehydrated HP36 due to energy flow into the water.

  6. Thermo-dynamical contours of electronic-vibrational spectra simulated using the statistical quantum-mechanical methods

    DEFF Research Database (Denmark)

    Pomogaev, Vladimir; Pomogaeva, Anna; Avramov, Pavel

    2011-01-01

    Three polycyclic organic molecules in various solvents focused on thermo-dynamical aspects were theoretically investigated using the recently developed statistical quantum mechanical/classical molecular dynamics method for simulating electronic-vibrational spectra. The absorption bands of estradiol...

  7. Multi-level Simulation of a Real Time Vibration Monitoring System Component

    Science.gov (United States)

    Robertson, Bryan A.; Wilkerson, Delisa

    2005-01-01

    This paper describes the development of a custom built Digital Signal Processing (DSP) printed circuit board designed to implement the Advanced Real Time Vibration Monitoring Subsystem proposed by Marshall Space Flight Center (MSFC) Transportation Directorate in 2000 for the Space Shuttle Main Engine Advanced Health Management System (AHMS). This Real Time Vibration Monitoring System (RTVMS) is being developed for ground use as part of the AHMS Health Management Computer-Integrated Rack Assembly (HMC-IRA). The HMC-IRA RTVMS design contains five DSPs which are highly interconnected through individual communication ports, shared memory, and a unique communication router that allows all the DSPs to receive digitized data fiom two multi-channel analog boards simultaneously. This paper will briefly cover the overall board design but will focus primarily on the state-of-the-art simulation environment within which this board was developed. This 16-layer board with over 1800 components and an additional mezzanine card has been an extremely challenging design. Utilization of a Mentor Graphics simulation environment provided the unique board and system level simulation capability to ascertain any timing or functional concerns before production. By combining VHDL, Synopsys Software and Hardware Models, and the Mentor Design Capture Environment, multiple simulations were developed to verify the RTVMS design. This multi-level simulation allowed the designers to achieve complete operability without error the first time the RTVMS printed circuit board was powered. The HMC-IRA design has completed all engineering and deliverable unit testing. P

  8. Simulations and Experiments on Vibration Control of Aerospace Thin-Walled Parts via Preload

    Directory of Open Access Journals (Sweden)

    Qiong Wu

    2017-01-01

    Full Text Available Thin-walled parts primarily comprise the entire piece of rough machining, and the material removal rate can surpass 95%. Numerous components with thin-walled structures are preferred in the aerospace industry for their light weight, high strength, and other advantages. In aerospace thin-walled workpiece machining processes and practical applications, they are excited by the vibration. The preload changing the modal stiffness of the part is found and this change causes continuous changes in the natural frequency. Researching on the influence of pretightening force on dynamic characteristics of thin-walled components is highly significant for controlling vibration. In this study, the typical aviation thin-walled part is the research object. Finite element numerical simulation and experimental verification are employed to analyze the dynamic characteristics of 7075 aluminum alloy thin-walled plates under different preloads for exploring the relationship between natural frequency and preload. The relationship is validated by comparative results. Both the simulation and experimental results show that the natural frequencies of plates increase following the augmentation of the preload. Thus, this research introduces the method where vibration of aerospace thin-walled parts is reduced by preload. For practical engineering application, a program showing the relationship between natural frequency and preload is written using Visual Basic language.

  9. Nonlocal strain gradient theory calibration using molecular dynamics simulation based on small scale vibration of nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Mehralian, Fahimeh [Mechanical Engineering Department, Shahrekord University, Shahrekord (Iran, Islamic Republic of); Tadi Beni, Yaghoub, E-mail: tadi@eng.sku.ac.ir [Faculty of Engineering, Shahrekord University, Shahrekord (Iran, Islamic Republic of); Karimi Zeverdejani, Mehran [Mechanical Engineering Department, Shahrekord University, Shahrekord (Iran, Islamic Republic of)

    2017-06-01

    Featured by two small length scale parameters, nonlocal strain gradient theory is utilized to investigate the free vibration of nanotubes. A new size-dependent shell model formulation is developed by using the first order shear deformation theory. The governing equations and boundary conditions are obtained using Hamilton's principle and solved for simply supported boundary condition. As main purpose of this study, since the values of two small length scale parameters are still unknown, they are calibrated by the means of molecular dynamics simulations (MDs). Then, the influences of different parameters such as nonlocal parameter, scale factor, length and thickness on vibration characteristics of nanotubes are studied. It is also shown that increase in thickness and decrease in length parameters intensify the effect of nonlocal parameter and scale factor.

  10. Resolving ultrafast exciton migration in organic solids at the nanoscale

    Science.gov (United States)

    Ginsberg, Naomi

    The migration of Frenkel excitons, tightly-bound electron-hole pairs, in photosynthesis and in organic semiconducting films is critical to the efficiency of natural and artificial light harvesting. While these materials exhibit a high degree of structural heterogeneity on the nanoscale, traditional measurements of exciton migration lengths are performed on bulk samples. Since both the characteristic length scales of structural heterogeneity and the reported bulk diffusion lengths are smaller than the optical diffraction limit, we adapt far-field super-resolution fluorescence imaging to uncover the correlations between the structural and energetic landscapes that the excitons explore. By combining the ultrafast super-resolved measurements with exciton hopping simulations we furthermore specify the nature (in addition to the extent) of exciton migration as a function of the intrinsic and ensemble chromophore energy scales that determine a spatio-energetic landscape for migration. In collaboration with: Samuel Penwell, Lucas Ginsberg, University of California, Berkeley and Rodrigo Noriega University of Utah.

  11. Exciton emissions in alkali cyanides

    International Nuclear Information System (INIS)

    Weid, J.P. von der.

    1979-10-01

    The emissions of Alkali Cyanides X irradiated at low temperature were measured. In addition to the molecular (Frenkel Type) exciton emissions, another emitting centre was found and tentatively assigned to a charge transfer self trapped exciton. The nature of the molecular exciton emitting state is discussed. (Author) [pt

  12. Technology for Transient Simulation of Vibration during Combustion Process in Rocket Thruster

    Science.gov (United States)

    Zubanov, V. M.; Stepanov, D. V.; Shabliy, L. S.

    2018-01-01

    The article describes the technology for simulation of transient combustion processes in the rocket thruster for determination of vibration frequency occurs during combustion. The engine operates on gaseous propellant: oxygen and hydrogen. Combustion simulation was performed using the ANSYS CFX software. Three reaction mechanisms for the stationary mode were considered and described in detail. The way for obtaining quick CFD-results with intermediate combustion components using an EDM model was found. The way to generate the Flamelet library with CFX-RIF was described. A technique for modeling transient combustion processes in the rocket thruster was proposed based on the Flamelet library. A cyclic irregularity of the temperature field like vortex core precession was detected in the chamber. Frequency of flame precession was obtained with the proposed simulation technique.

  13. CFD simulation of flow-induced vibration of an elastically supported airfoil

    Directory of Open Access Journals (Sweden)

    Šidlof Petr

    2016-01-01

    Full Text Available Flow-induced vibration of lifting or control surfaces in aircraft may lead to catastrophic consequences. Under certain circumstances, the interaction between the airflow and the elastic structure may lead to instability with energy transferred from the airflow to the structure and with exponentially increasing amplitudes of the structure. In the current work, a CFD simulation of an elastically supported NACA0015 airfoil with two degrees of freedom (pitch and plunge coupled with 2D incompressible airflow is presented. The geometry of the airfoil, mass, moment of inertia, location of the centroid, linear and torsional stiffness was matched to properties of a physical airfoil model used for wind-tunnel measurements. The simulations were run within the OpenFOAM computational package. The results of the CFD simulations were compared with the experimental data.

  14. Crystal structure, vibrational and DFT simulation studies of melaminium dihydrogen phosphite monohydrate

    Science.gov (United States)

    Arjunan, V.; Kalaivani, M.; Marchewka, M. K.; Mohan, S.

    2013-08-01

    The crystal structure investigations of melamine with phosphorous acid, namely melaminium dihydrogenphosphite monohydrate (C3N6H7·H2PO3·H2O) have been investigated by means of single crystal X-ray diffraction method. The title compound crystallizes in monoclinic crystal system, and the space group is P21/c with a = 10.069 Å, b = 21.592 Å, c = 12.409 Å and Z = 12. The vibrational assignments and analysis of melaminium dihydrogen phosphite monohydrate have also been performed by FTIR, FT-Raman and far-infrared spectral studies. The quantum chemical simulations were performed with DFT (B3LYP) method using 6-31G**, cc-pVTZ, and 6-311++G** basis sets to determine the energy, structural, thermodynamic parameters and vibrational frequencies of melaminium dihydrogen phosphite monohydrate. The hydrogen atom from phosphorous acid was transferred to the melamine molecule giving the singly protonated melaminium cation. The ability of ions to form spontaneous three-dimensional structure through weak Osbnd H···O and Nsbnd H···O hydrogen bonds shows notable vibrational effects.

  15. The design and simulation of new downhole vibration device about acoustic oil recovery technology

    Directory of Open Access Journals (Sweden)

    Yongjun Hou

    2015-09-01

    Full Text Available More and more oilfields are using acoustic technology to enhance oil recovery. In order to know the mechanism of acoustic oil recovery technology, the sound radiator of a new downhole vibration device is modeled and analyzed. Based on the theoretical background, this paper firstly analyzes the acoustic mechanism for the oil reservoir and then makes a acoustic response analysis on the sound radiator model for frequency and time-domain investigation by using professional acoustic simulation software–LMS Virtual.lab Acoustics, finally calculates the acoustic transmission loss in the downhole oil reservoir. The research reveals that firstly, acoustic waves have influences on the oil & water fluidity in the oil reservoir, the oil pressure gradient and the interfacial tension of capillary; secondly, the acoustic radiation power and sound pressure of field point attain a peak on the natural frequency of the sound radiator; thirdly, with the acoustic impact, the sound pressure of oil reservoir would fluctuate so as to improve the oil recovery ratio; the last but not the least one is both the sound pressure of oil reservoir point and the transmission loss of rock have a positive correlation with the vibration frequency. Therefore, it is of great importance for the research of vibration frequency and structure optimization of sound radiator.

  16. Perovskite Excitonics : Primary Exciton Creation and Crossover from Free Carriers to a Secondary Exciton Phase

    NARCIS (Netherlands)

    Sarritzu, Valerio; Sestu, Nicola; Marongiu, Daniela; Chang, Xueqing; Wang, Qingqian; Loi, Maria Antonietta; Quochi, Francesco; Saba, Michele; Mura, Andrea; Bongiovanni, Giovanni

    2018-01-01

    Understanding exciton formation is of fundamental importance for emerging optoelectronic materials, like hybrid organic-inorganic perovskites, as excitons are the lowest-energy photoexcitations in semiconductors, are electrically neutral, and do not directly contribute to charge transport, but can

  17. Consistent post-reaction vibrational energy redistribution in DSMC simulations using TCE model

    Science.gov (United States)

    Borges Sebastião, Israel; Alexeenko, Alina

    2016-10-01

    The direct simulation Monte Carlo (DSMC) method has been widely applied to study shockwaves, hypersonic reentry flows, and other nonequilibrium flow phenomena. Although there is currently active research on high-fidelity models based on ab initio data, the total collision energy (TCE) and Larsen-Borgnakke (LB) models remain the most often used chemistry and relaxation models in DSMC simulations, respectively. The conventional implementation of the discrete LB model, however, may not satisfy detailed balance when recombination and exchange reactions play an important role in the flow energy balance. This issue can become even more critical in reacting mixtures involving polyatomic molecules, such as in combustion. In this work, this important shortcoming is addressed and an empirical approach to consistently specify the post-reaction vibrational states close to thermochemical equilibrium conditions is proposed within the TCE framework. Following Bird's quantum-kinetic (QK) methodology for populating post-reaction states, the new TCE-based approach involves two main steps. The state-specific TCE reaction probabilities for a forward reaction are first pre-computed from equilibrium 0-D simulations. These probabilities are then employed to populate the post-reaction vibrational states of the corresponding reverse reaction. The new approach is illustrated by application to exchange and recombination reactions relevant to H2-O2 combustion processes.

  18. The vibrational source strength descriptor using power input from equivalent forces: a simulation study

    DEFF Research Database (Denmark)

    Laugesen, Søren; Ohlrich, Mogens

    1994-01-01

    Simple, yet reliable methods for the approximate determination of the vibratory power supplied by the internal excitation forces of a given vibrational source are of great interest. One such method that relies on the application of a number of “equivalent forces” and measurements of the mean...... squared velocity on either the source or the receiving structure is studied in this paper by means of computer simulations. The study considers a simple system of two flexural beams coupled via a pair of springs. The investigation shows that a relatively small number of equivalent forces suffice...

  19. 3-D numerical simulation on the vibration of liquid sodium's free surface in sodium pool of FBR

    International Nuclear Information System (INIS)

    Han Biao; Yao Zhaohui; Ye Hongkai; Wang Xuefang

    1997-01-01

    This paper succeeds in simulating three-dimensional incompressible flows with free surface, complicated in-flow and out-flow boundary conditions and internal obstacles, and also can treat these fluid flows in arbitrary shape vessel using a partial cell. According to all kinds of the element influencing the free surface's vibration in sodium pool it may give the various wave's form, the highest and lowest position, and the amount of the vibration. This paper introduces the brief principle of VOF numerical method, develops the computational program based on NASA-VOF3D, provides some results about the free surface's vibration in sodium pool of FBR

  20. Numerical simulation of 900 MW control rods impact friction vibration and wear

    International Nuclear Information System (INIS)

    Jacquart, G.

    1993-12-01

    Impact-friction vibrations and wear have motivated a great research and development program aiming at understanding the impact and vibration behaviour of these components through experimental and numerical works. This report presents a numerical simulation of the vibrations of a single control rod and of a whole control cluster. Excitation sources for this component are due to hydraulic forces and are situated in the lower part of the rods and in the part of the cluster. Some parametric computations have been carried out on a single rod, to evaluate the effect of the lower excitation source. Different excitation levels, different eccentricities or static forces have been computed and compared to measurements on the MAGALY mock-up representing a complete rod cluster. A numerical model for the complete cluster allowed the evaluation of the upper excitation source effects. This source appears to be less powerful than the lower one. These results have been validated by comparison with MAGALY measurements. At last, some computations were performed with a model of the complete cluster, taking into account the both excitation sources. A parametric study on eccentricity and static forces has been carried out. A comparison with MAGALY measurements seems to be fairly fitting, showing that the numerical results are of the right order of magnitude. Through this numerical study, we have shown that numerical simulation of a complete control rod cluster could be lead, and we have obtained some new informations about impact forces and wear rates that need to be confirmed by more computational or experimental works or in-situ measurements. (author). 10 annexes, 11 refs

  1. Triplet exciton dynamics

    International Nuclear Information System (INIS)

    Strien, A.J. van.

    1981-01-01

    Results are presented of electron spin echo experiments combined with laser flash excitation on triplet states of aromatic molecules. Some of the theoretical and experimental aspects of the photoexcited triplet state are discussed in detail and the electron spin echo spectrometers and laser systems are described. All the experiments described in this thesis were performed at liquid helium temperatures. An account is given of the ESE experiments performed on the photoexcited, non-radiative, triplet state of pentacene in napthalene. This is an example of the ESE technique being used to ascertain the zero-field splitting parameters, the populating and depopulating rates, and the orientation of the pentacene molecules in the naphthalene host. A combination of high resolution laser flash excitation and electron-spin echoes in zero-magnetic field allowed the author to observe directly k(vector)→k(vector)' exciton scattering processes in the one-dimensional triplet excitons in tetrachlorobenzene for the first time. Additional experimental data about exciton scattering is provided and a study of the orientational dependence of the spin-lattice relaxation of the triplet excitons in an external magnetic field is described. (Auth.)

  2. Quasienergy Spectroscopy of Excitons

    DEFF Research Database (Denmark)

    Johnsen, Kristinn; Jauho, Antti-Pekka

    1999-01-01

    We theoretically study nonlinear optics of excitons under intense THz irradiation. In particular, the linear near-infrared absorption and resonantly enhanced nonlinear sideband generation are described. We predict a rich structure in the spectra which an be interpreted in terms of the quasienergy...

  3. On the dependence of the OH* Meinel emission altitude on vibrational level: SCIAMACHY observations and model simulations

    Directory of Open Access Journals (Sweden)

    J. P. Burrows

    2012-09-01

    Full Text Available Measurements of the OH Meinel emissions in the terrestrial nightglow are one of the standard ground-based techniques to retrieve upper mesospheric temperatures. It is often assumed that the emission peak altitudes are not strongly dependent on the vibrational level, although this assumption is not based on convincing experimental evidence. In this study we use Envisat/SCIAMACHY (Scanning Imaging Absorption spectroMeter for Atmospheric CHartographY observations in the near-IR spectral range to retrieve vertical volume emission rate profiles of the OH(3-1, OH(6-2 and OH(8-3 Meinel bands in order to investigate whether systematic differences in emission peak altitudes can be observed between the different OH Meinel bands. The results indicate that the emission peak altitudes are different for the different vibrational levels, with bands originating from higher vibrational levels having higher emission peak altitudes. It is shown that this finding is consistent with the majority of the previously published results. The SCIAMACHY observations yield differences in emission peak altitudes of up to about 4 km between the OH(3-1 and the OH(8-3 band. The observations are complemented by model simulations of the fractional population of the different vibrational levels and of the vibrational level dependence of the emission peak altitude. The model simulations reproduce the observed vibrational level dependence of the emission peak altitude well – both qualitatively and quantitatively – if quenching by atomic oxygen as well as multi-quantum collisional relaxation by O2 is considered. If a linear relationship between emission peak altitude and vibrational level is assumed, then a peak altitude difference of roughly 0.5 km per vibrational level is inferred from both the SCIAMACHY observations and the model simulations.

  4. Micro-Vibration Performance Prediction of SEPTA24 Using SMeSim (RUAG Space Mechanism Simulator Tool)

    Science.gov (United States)

    Omiciuolo, Manolo; Lang, Andreas; Wismer, Stefan; Barth, Stephan; Szekely, Gerhard

    2013-09-01

    Scientific space missions are currently challenging the performances of their payloads. The performances can be dramatically restricted by micro-vibration loads generated by any moving parts of the satellites, thus by Solar Array Drive Assemblies too. Micro-vibration prediction of SADAs is therefore very important to support their design and optimization in the early stages of a programme. The Space Mechanism Simulator (SMeSim) tool, developed by RUAG, enhances the capability of analysing the micro-vibration emissivity of a Solar Array Drive Assembly (SADA) under a specified set of boundary conditions. The tool is developed in the Matlab/Simulink® environment throughout a library of blocks simulating the different components a SADA is made of. The modular architecture of the blocks, assembled by the user, and the set up of the boundary conditions allow time-domain and frequency-domain analyses of a rigid multi-body model with concentrated flexibilities and coupled- electronic control of the mechanism. SMeSim is used to model the SEPTA24 Solar Array Drive Mechanism and predict its micro-vibration emissivity. SMeSim and the return of experience earned throughout its development and use can now support activities like verification by analysis of micro-vibration emissivity requirements and/or design optimization to minimize the micro- vibration emissivity of a SADA.

  5. Experimental Simulation of Flow-Induced Vibration for Developing a Grid-to-Rod Fretting Model

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Youngho; Kim, Hyungkyu; Kang, Heungseok [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2013-05-15

    GTRF margin was calculated based on the fuel reliabilities program of operating power plants. But they have not accumulated sufficient experience under challenging operating conditions to be considered proven solutions. In addition, GTRF behaviors were significantly differed according to the plant types, operating condition and fuel types. So, analytical methods to resolve GTRF degradations are considered as difficult procedures for actual application. One of the most important problems is that it is difficult to evaluate the GTRF resistance of new spacer grid under operating power plant condition. Up to now, as a consequence, compliance with the fretting wear limit (typically 10% of the cladding thickness) is checked a posteriori, through post-irradiation examination. Therefore, in this study, rod simulation method for determining GTRF resistance of new spacer grid was proposed with a specially designed wear tester. This simulator enables us to examine the spacer grid shape effect under relatively short development period. In addition, for developing GTRF model, flow-induced vibration (FIV) was measured with different major variables such as GTR clearance, flow rate, etc. Fretting wear tests of nuclear fuel rods (i. e. grid-to-rod fretting) have been performed to examine the flow rate effect by using a specially designed test section with a simulated primary coolant. Based on above results, developed FIV-wear simulator could be effective to examine the spacer grid shape effect with short development period. Further study will be discussed on the GTR clearance effect with various spacer grid shapes.

  6. Wavelet analysis to decompose a vibration simulation signal to improve pre-distribution testing of packaging

    Science.gov (United States)

    Griffiths, K. R.; Hicks, B. J.; Keogh, P. S.; Shires, D.

    2016-08-01

    In general, vehicle vibration is non-stationary and has a non-Gaussian probability distribution; yet existing testing methods for packaging design employ Gaussian distributions to represent vibration induced by road profiles. This frequently results in over-testing and/or over-design of the packaging to meet a specification and correspondingly leads to wasteful packaging and product waste, which represent 15bn per year in the USA and €3bn per year in the EU. The purpose of the paper is to enable a measured non-stationary acceleration signal to be replaced by a constructed signal that includes as far as possible any non-stationary characteristics from the original signal. The constructed signal consists of a concatenation of decomposed shorter duration signals, each having its own kurtosis level. Wavelet analysis is used for the decomposition process into inner and outlier signal components. The constructed signal has a similar PSD to the original signal, without incurring excessive acceleration levels. This allows an improved and more representative simulated input signal to be generated that can be used on the current generation of shaker tables. The wavelet decomposition method is also demonstrated experimentally through two correlation studies. It is shown that significant improvements over current international standards for packaging testing are achievable; hence the potential for more efficient packaging system design is possible.

  7. Coulomb friction modelling in numerical simulations of vibration and wear work rate of multispan tube bundles

    International Nuclear Information System (INIS)

    Antunes, J.; Axisa, F.; Beaufils, B.; Guilbaud, D.

    1990-01-01

    The working life of heat exchanger multispan tube bundles subjected to flow-induced vibration, is heavily dependent on nonlinear interaction between the loosely supported tubes and their supports. Reliable wear prediction techniques must account for a number of factors controlling impact-sliding tube response, such as tube support gap, contact stiffness, impact damping, Coulomb friction and squeeze film effect at supports. Tube fretting wear potential risk may then be adequately quantified by an equivalent wear work rate. A simple model is presented which accounts for the key aspects of dry friction and is well suited to the efficient explicit numerical integration schemes, specifically through nonlinear model superposition. Extensive parametric two-dimensional simulations, under random vibration induced by flow turbulence, are presented. Also, the effect of permanent tube-support preload, arising from cross flow drag, tube-support misalignment and thermal expansion, is investigated. Results show that frictional forces consistently reduce wear work rates, which decrease for high values of the coefficient of friction. Such reductions may be extremely important for the limiting case when preload and frictional forces are of sufficient magnitude to overcome dynamic forces, preventing tube-support relative motion. (author)

  8. On the Shaker Simulation of Wind-Induced Non-Gaussian Random Vibration

    Directory of Open Access Journals (Sweden)

    Fei Xu

    2016-01-01

    Full Text Available Gaussian signal is produced by ordinary random vibration controllers to test the products in the laboratory, while the field data is usually non-Gaussian. Two methodologies are presented in this paper for shaker simulation of wind-induced non-Gaussian vibration. The first methodology synthesizes the non-Gaussian signal offline and replicates it on the shaker in the Time Waveform Replication (TWR mode. A new synthesis method is used to model the non-Gaussian signal as a Gaussian signal multiplied by an amplitude modulation function (AMF. A case study is presented to show that the synthesized non-Gaussian signal has the same power spectral density (PSD, probability density function (PDF, and loading cycle distribution (LCD as the field data. The second methodology derives a damage equivalent Gaussian signal from the non-Gaussian signal based on the fatigue damage spectrum (FDS and the extreme response spectrum (ERS and reproduces it on the shaker in the closed-loop frequency domain control mode. The PSD level and the duration time of the derived Gaussian signal can be manipulated for accelerated testing purpose. A case study is presented to show that the derived PSD matches the damage potential of the non-Gaussian environment for both fatigue and peak response.

  9. Simulation of vibration modes of the fuel rod damaged due to the grid-to-rod fretting wear

    International Nuclear Information System (INIS)

    Kim, Kyu Tae; Kim, Kyeong Koo; Jang, Young Ki; Lee, Kyou Seok

    1997-01-01

    The flow-induced fuel fretting wear observed in some PWRs mainly proceeds in the grid-to-rod contact positions. The grid-to-rod fretting wear in the PWR fuel assembly depends on grid-to-rod gap size, its axial profile and flow-induced vibration. This paper describes the GRIDFORCE program which generates the axially dependent grid-to-rod gap size as a function of burnup. The axially dependent grid-to-rod gap profiles are employed to predict the fuel rod vibration mode shapes by the ANSYS code. With the help of the Paidousis empirical formula, this paper also calculates the fuel rod vibration amplitudes under various supporting conditions, which indicates that the increase of the number of unsupported mid-grids will increase the fuel rod vibration amplitude. On the other hand, the comparison of the predicted vibration mode shapes and the observed mid-grid fretting wear pattern indicates that the 1st and 6th vibration mode shapes under the supporting inactive condition at the mid-grids can simulate the observed mid-grid fretting wear profile. This paper also proposes design guidelines against the grid-to-rod fretting wear. (author). 3 refs., 8 figs

  10. Depth-kymography of vocal fold vibrations : part II. Simulations and direct comparisons with 3D profile measurements

    NARCIS (Netherlands)

    de Mul, Frits F. M.; George, Nibu A.; Qiu, Qingjun; Rakhorst, Gerhard; Schutte, Harm K.

    2009-01-01

    We report novel direct quantitative comparisons between 3D profiling measurements and simulations of human vocal fold vibrations. Until now, in human vocal folds research, only imaging in a horizontal plane was possible. However, for the investigation of several diseases, depth information is

  11. Vibration of Bridges under the Passage of Vehicles Simulated as Moving Loads

    International Nuclear Information System (INIS)

    Ouchenane, M.; Lassoued, R.; Ouchenane, K.

    2011-01-01

    The dynamic behavior of bridges under the effect of moving loads simulating the vehicle moving along the bridge structure idealized by an Euler beam is analyzed. We will present the dynamic behavior of beams under the stress of moving loads (or masses) by the analytical and semi-analytical approaches. When the mass of the bridge structure is comparable to that of the vehicle, the mobile source requesting the bridge is simulated by a mass. In most practical cases, the mobile force used is due to the effects of the gravitational moving masses: . When the moving mass is small compared to the beam mass, the obtained solution under the effect of moving force is approximately correct for the solution obtained with the moving mass. Otherwise, the problem of the moving mass is imperative. To do this, we wrote a program in Matlab language which reflects the dynamic behavior of beams under the effect of moving charges, which gives the following results T he frequencies and modes of vibration, the dynamics deflection of the beam requested by moving force, the dynamic response (DAF: dynamic amplification factor) of the beam requested by a moving force, over the whole length of the beam, for all times and for different speeds. The numerical example that we look to see for study the dynamic behavior of this type of bridge under moving loads is that of a thin beam unamortised on simple support and length of 50m, under the solicitation of moving force and mass at a constant speed and varies from 0 to 100 m / s (M. A. Foda, 1997), depending on the relationship between the vehicle mass and the mass of the bridge that will allow us to see the contribution of the choice of modelling type on the total response and then the vibration of bridge, also we will study the effect of type of simulation of the load by moving force or mass on the dynamic amplification factor and comparing our results with those from the literature. (author)

  12. Exciton Formation in Disordered Semiconductors

    DEFF Research Database (Denmark)

    Klochikhin, A.; Reznitsky, A.; Permogorov, S.

    1999-01-01

    Stationary luminescence spectra of disordered solid solutions can be accounted by the model of localized excitons. Detailed analysis of the long time decay kinetics of luminescence shows that exciton formation in these systems is in great extent due to the bimolecular reaction of separated carrie...

  13. Plasmon-exciton-polariton lasing

    NARCIS (Netherlands)

    Ramezani, M.; Halpin, A.; Fernández-Dominguez, A.I.; Feist, J.; Rodriguez, S.R.K.; Gómez-Rivas, J.; Garcia-Vidal, F.J.

    2016-01-01

    Strong coupling of Frenkel excitons with surface plasmons leads to the formation of bosonic quasi-particles known as plasmon-exciton-polaritons (PEPs).Localized surface plasmons in nanoparticles are lossy due to radiative and nonradiative decays, which has hampered the realization of polariton

  14. Numerical Simulation of the Vortex-Induced Vibration of A Curved Flexible Riser in Shear Flow

    Science.gov (United States)

    Zhu, Hong-jun; Lin, Peng-zhi

    2018-06-01

    A series of fully three-dimensional (3D) numerical simulations of flow past a free-to-oscillate curved flexible riser in shear flow were conducted at Reynolds number of 185-1015. The numerical results obtained by the two-way fluid-structure interaction (FSI) simulations are in good agreement with the experimental results reported in the earlier study. It is further found that the frequency transition is out of phase not only in the inline (IL) and crossflow (CF) directions but also along the span direction. The mode competition leads to the non-zero nodes of the rootmean- square (RMS) amplitude and the relatively chaotic trajectories. The fluid-structure interaction is to some extent reflected by the transverse velocity of the ambient fluid, which reaches the maximum value when the riser reaches the equilibrium position. Moreover, the local maximum transverse velocities occur at the peak CF amplitudes, and the values are relatively large when the vibration is in the resonance regions. The 3D vortex columns are shed nearly parallel to the axis of the curved flexible riser. As the local Reynolds number increases from 0 at the bottom of the riser to the maximum value at the top, the wake undergoes a transition from a two-dimensional structure to a 3D one. More irregular small-scale vortices appeared at the wake region of the riser, undergoing large amplitude responses.

  15. Simulation analyses of vibration tests on pile-group effects using blast-induced ground motions

    International Nuclear Information System (INIS)

    Takayuki Hashimoto; Kazushige Fujiwara; Katsuichirou Hijikata; Hideo Tanaka; Kohji Koyamada; Atsushi Suzuki; Osamu Kontani

    2005-01-01

    Extensive vibration tests have been performed on pile-supported structures at a large-scale mining site to promote better understanding of the dynamic behavior of pile-supported structures, especially pile-group effects. Two test structures were constructed in an excavated pit. One structure was supported on 25 tubular steel piles and the other on 4. The test pit was backfilled with sand of an appropriate grain size distribution to ensure good compaction. Ground motions induced by large-scale blasting operations were used as excitation forces for the tests. The 3D Finite Element Method (3D FEM)and a Genetic Algorithm (GA) were employed to identify the shear wave velocities and damping factors of the compacted sand, especially of the surface layer. A beam-interaction spring model was employed to simulate the test results of the piles and the pile-supported structures. The superstructure and pile foundation were modeled by a one-stick model comprising lumped masses and beam elements. The pile foundations were modeled just as they were, with lumped masses and beam elements to simulate the test results showing that, for the 25-pile structure, piles at different locations showed different responses. It was confirmed that the analysis methods employed were very useful for evaluating the nonlinear behavior of the soil-pile-structure system, even under severe ground motions. (authors)

  16. Design and Numerical Simulations of a Flow Induced Vibration Energy Converter for Underwater Mooring Platforms

    Directory of Open Access Journals (Sweden)

    Wenlong Tian

    2017-09-01

    Full Text Available Limited battery energy restricts the duration of the underwater operation of underwater mooring platforms (UMPs. In this paper, a flow-induced vibration energy converter (FIVEC is designed to produce power for the UMPs and extend their operational time. The FIVEC is equipped with a thin plate to capture the kinetic energy in the vortices shed from the surface of the UMP. A magnetic coupling (MC is applied for the non-contacting transmission of the plate torque to the generators so that the friction loss can be minimized. In order to quantify and evaluate the performance of the FIVEC, two-dimensional computational fluid dynamics (CFD simulations are performed. Simulations are based on the Reynolds Averaged Navier-Stokes (RANS equations and the shear stress transport (SST k-ω turbulent model is utilized. The CFD method is firstly validated using existing experimental data. Then the influences of plate length and system damping on the performance of the FIVEC are evaluated. The results show that the device has a maximum averaged power coefficient of 0.0520 (13.86 W in the considered situations. The results also demonstrate the feasibility of this energy converter plan.

  17. Railway bogie vibration analysis by mathematical simulation model and a scaled four-wheel railway bogie set

    Science.gov (United States)

    Visayataksin, Noppharat; Sooklamai, Manon

    2018-01-01

    The bogie is the part that connects and transfers all the load from the vehicle body onto the railway track; interestingly the interaction between wheels and rails is the critical point for derailment of the rail vehicles. However, observing or experimenting with real bogies on rail vehicles is impossible due to the operational rules and safety concerns. Therefore, this research aimed to develop a vibration analysis set for a four-wheel railway bogie by constructing a four-wheel bogie with scale of 1:4.5. The bogie structures, including wheels and axles, were made from an aluminium alloy, equipped with springs and dampers. The bogie was driven by an electric motor using 4 round wheels instead of 2 straight rails, with linear velocity between 0 to 11.22 m/s. The data collected from the vibration analysis set was compared to the mathematical simulation model to investigate the vibration behavior of the bogie, especially the hunting motion. The results showed that vibration behavior from a scaled four-wheel railway bogie set significantly agreed with the mathematical simulation model in terms of displacement and hunting frequency. The critical speed of the wheelset was found by executing the mathematical simulation model at 13 m/s.

  18. Numerical simulation of cross-flow-induced fluidelastic vibration of tube arrays and comparison with experimental results

    International Nuclear Information System (INIS)

    Eisinger, F.L.; Rao, M.S.M.; Steininger, D.A.; Haslinger, K.H.

    1995-01-01

    Tube arrays exposed to air, gas or liquid cross-flow can vibrate due to vortex-shedding, turbulence, or fluidelastic instability. The major emphasis of this paper is on the phenomenon of fluidelastic instability (or fluidelastic vibration). A numerical model is applied to the simulation of fluidelastic vibration of representative tubes in a tube bundle, based on S. S. Chen's unsteady flow theory. The results are validated against published data based on linear cases. The model is then applied to a nonlinear structure of a U-bend tube bundle with clearances at supports, and the computed results compared to those obtained by experimental testing. The numerical studies were performed using the ABAQUS-EPGEN finite element code using a special subroutine incorporating fluidelastic forces. It is shown that the results of both the linear and nonlinear modeling are in good agreement with experimental data

  19. Multiple exciton generation in chiral carbon nanotubes: Density functional theory based computation

    Science.gov (United States)

    Kryjevski, Andrei; Mihaylov, Deyan; Kilina, Svetlana; Kilin, Dmitri

    2017-10-01

    We use a Boltzmann transport equation (BE) to study time evolution of a photo-excited state in a nanoparticle including phonon-mediated exciton relaxation and the multiple exciton generation (MEG) processes, such as exciton-to-biexciton multiplication and biexciton-to-exciton recombination. BE collision integrals are computed using Kadanoff-Baym-Keldysh many-body perturbation theory based on density functional theory simulations, including exciton effects. We compute internal quantum efficiency (QE), which is the number of excitons generated from an absorbed photon in the course of the relaxation. We apply this approach to chiral single-wall carbon nanotubes (SWCNTs), such as (6,2) and (6,5). We predict efficient MEG in the (6,2) and (6,5) SWCNTs within the solar spectrum range starting at the 2Eg energy threshold and with QE reaching ˜1.6 at about 3Eg, where Eg is the electronic gap.

  20. The experimental vibrational infrared spectrum of lemon peel and simulation of spectral properties of the plant cell wall

    Science.gov (United States)

    Berezin, K. V.; Shagautdinova, I. T.; Chernavina, M. L.; Novoselova, A. V.; Dvoretskii, K. N.; Likhter, A. M.

    2017-09-01

    The experimental vibrational IR spectra of the outer part of lemon peel are recorded in the range of 3800-650 cm-1. The effect of artificial and natural dehydration of the peel on its vibrational spectrum is studied. It is shown that the colored outer layer of lemon peel does not have a noticeable effect on the vibrational spectrum. Upon 28-day storage of a lemon under natural laboratory conditions, only sequential dehydration processes are reflected in the vibrational spectrum of the peel. Within the framework of the theoretical DFT/B3LYP/6-31G(d) method, a model of a plant cell wall is developed consisting of a number of polymeric molecules of dietary fibers like cellulose, hemicellulose, pectin, lignin, some polyphenolic compounds (hesperetin glycoside-flavonoid), and a free water cluster. Using a supermolecular approach, the spectral properties of the wall of a lemon peel cell was simulated, and a detailed theoretical interpretation of the recorded vibrational spectrum is given.

  1. Method for Vibration Response Simulation and Sensor Placement Optimization of a Machine Tool Spindle System with a Bearing Defect

    Science.gov (United States)

    Cao, Hongrui; Niu, Linkai; He, Zhengjia

    2012-01-01

    Bearing defects are one of the most important mechanical sources for vibration and noise generation in machine tool spindles. In this study, an integrated finite element (FE) model is proposed to predict the vibration responses of a spindle bearing system with localized bearing defects and then the sensor placement for better detection of bearing faults is optimized. A nonlinear bearing model is developed based on Jones' bearing theory, while the drawbar, shaft and housing are modeled as Timoshenko's beam. The bearing model is then integrated into the FE model of drawbar/shaft/housing by assembling equations of motion. The Newmark time integration method is used to solve the vibration responses numerically. The FE model of the spindle-bearing system was verified by conducting dynamic tests. Then, the localized bearing defects were modeled and vibration responses generated by the outer ring defect were simulated as an illustration. The optimization scheme of the sensor placement was carried out on the test spindle. The results proved that, the optimal sensor placement depends on the vibration modes under different boundary conditions and the transfer path between the excitation and the response. PMID:23012514

  2. Nuclear Exciton Echo Produced by Ultrasound in Forward Scattering of Synchrotron Radiation

    International Nuclear Information System (INIS)

    Smirnov, G.V.; van Buerck, U.; Arthur, J.; Popov, S.L.; Baron, A.Q.; Chumakov, A.I.; Ruby, S.L.; Potzel, W.; Brown, G.S.

    1996-01-01

    The time evolution of the coherent decay of a collective nuclear excitation (nuclear exciton), induced by 14.4 keV synchrotron radiation, was studied in a system of two stainless steel foils, where one was vibrated by ultrasound (US). The US vibrations disrupted the coherent nuclear emission from the two targets. However, at times corresponding to multiples of the US period, spike increases in the decay were observed. The spikes are interpreted as echoes of the initial nuclear exciton. copyright 1996 The American Physical Society

  3. A journal bearing with variable geometry for the suppression of vibrations in rotating shafts: Simulation, design, construction and experiment

    Science.gov (United States)

    Chasalevris, Athanasios; Dohnal, Fadi

    2015-02-01

    The idea for a journal bearing with variable geometry was formerly developed and investigated on its principles of operation giving very optimistic theoretical results for the vibration quenching of simple and more complicated rotor bearing systems during the passage through the first critical speed. The journal bearing with variable geometry is presented in this paper in its final form with the detailed design procedure. The current journal bearing was constructed in order to be applied in a simple real rotor bearing system that already exists as an experimental facility. The current paper presents details on the manufactured prototype bearing as an experimental continuation of previous works that presented the simulation of the operating principle of this journal bearing. The design parameters are discussed thoroughly under the numerical simulation for the fluid film pressure in dependency of the variable fluid film thickness during the operation conditions. The implementation of the variable geometry bearing in an experimental rotor bearing system is outlined. Various measurements highlight the efficiency of the proposed bearing element in vibration quenching during the passage through resonance. The inspiration for the current idea is based on the fact that the alteration of the fluid film characteristics of stiffness and damping during the passage through resonance results in vibration quenching. This alteration of the bearing characteristics is achieved by the introduction of an additional fluid film thickness using the passive displacement of the lower half-bearing part. • The contribution of the current journal bearing in vibration quenching. • Experimental evidence for the VGJB contribution.

  4. Picosecond dynamics of internal exciton transitions in CdSe nanorods

    DEFF Research Database (Denmark)

    Cooke, D. G.; Jepsen, Peter Uhd; Lek, Jun Yan

    2013-01-01

    . The onset of exciton-LO phonon coupling appears as a bleach in the optical conductivity spectra at the LO phonon energy for times > 1 ps after excitation. Simulations show a suppressed exciton temperature due to thermally excited hole states being rapidly captured onto ligands or unpassivated surface states...

  5. Real-Time Observation of Exciton-Phonon Coupling Dynamics in Self-Assembled Hybrid Perovskite Quantum Wells.

    Science.gov (United States)

    Ni, Limeng; Huynh, Uyen; Cheminal, Alexandre; Thomas, Tudor H; Shivanna, Ravichandran; Hinrichsen, Ture F; Ahmad, Shahab; Sadhanala, Aditya; Rao, Akshay

    2017-11-28

    Self-assembled hybrid perovskite quantum wells have attracted attention due to their tunable emission properties, ease of fabrication, and device integration. However, the dynamics of excitons in these materials, especially how they couple to phonons, remains an open question. Here, we investigate two widely used materials, namely, butylammonium lead iodide (CH 3 (CH 2 ) 3 NH 3 ) 2 PbI 4 and hexylammonium lead iodide (CH 3 (CH 2 ) 5 NH 3 ) 2 PbI 4 , both of which exhibit broad photoluminescence tails at room temperature. We performed femtosecond vibrational spectroscopy to obtain a real-time picture of the exciton-phonon interaction and directly identified the vibrational modes that couple to excitons. We show that the choice of the organic cation controls which vibrational modes the exciton couples to. In butylammonium lead iodide, excitons dominantly couple to a 100 cm -1 phonon mode, whereas in hexylammonium lead iodide, excitons interact with phonons with frequencies of 88 and 137 cm -1 . Using the determined optical phonon energies, we analyzed photoluminescence broadening mechanisms. At low temperatures (photoluminescence line shape observed in hybrid perovskite quantum wells and provide insights into the mechanism of exciton-phonon coupling in these materials.

  6. Structure and Dynamics of Urea/Water Mixtures Investigated by Vibrational Spectroscopy and Molecular Dynamics Simulation

    Science.gov (United States)

    Carr, J. K.; Buchanan, L. E.; Schmidt, J. R.; Zanni, M. T.; Skinner, J. L.

    2013-01-01

    Urea/water is an archetypical “biological” mixture, and is especially well known for its relevance to protein thermodynamics, as urea acts as a protein denaturant at high concentration. This behavior has given rise to an extended debate concerning urea’s influence on water structure. Based on a variety of methods and of definitions of water structure, urea has been variously described as a structure-breaker, a structure-maker, or as remarkably neutral towards water. Because of its sensitivity to microscopic structure and dynamics, vibrational spectroscopy can help resolve these debates. We report experimental and theoretical spectroscopic results for the OD stretch of HOD/H2O/urea mixtures (linear IR, 2DIR, and pump-probe anisotropy decay) and for the CO stretch of urea-D4/D2O mixtures (linear IR only). Theoretical results are obtained using existing approaches for water, and a modification of a frequency map developed for acetamide. All absorption spectra are remarkably insensitive to urea concentration, consistent with the idea that urea only very weakly perturbs water structure. Both this work and experiments by Rezus and Bakker, however, show that water’s rotational dynamics are slowed down by urea. Analysis of the simulations casts doubt on the suggestion that urea immobilizes particular doubly hydrogen bonded water molecules. PMID:23841646

  7. Modelling and numerical simulation of vortex induced vibrations of single cylinder or cylinder arrays

    International Nuclear Information System (INIS)

    Jus, Y.

    2011-01-01

    This research thesis fits into the frame of researches achieved in the nuclear field in order to optimize the predictive abilities of sizing models of nuclear plant components. It more precisely addresses the modelling of the action exerted by the flowing fluid and the induced feedback by the structure dynamics. The objective is herein to investigate the interaction between the turbulence at the wall vicinity and the effects of non-conservative and potentially destabilizing unsteady coupling. The peculiar case of a single cylinder in infinite environment, and submitted to a transverse flow, is studied statically and then dynamically. The influence of flow regimes on dynamic response is characterized, and the quantification of fluid-structure interaction energy is assessed. The author then addresses the case of an array of cylinders, and highlights the contribution of three-dimensional macro-simulations for the analysis of flow-induced structure vibrations in subcritical regime within a High Performance Calculation (HPC) framework, and the interest of a CFD/CSM (computational fluid dynamics/computational structure mechanics) coupling in the case of turbulent flows in an industrial environment

  8. Simulation Studies on Energy Harvesting Characterisitcs and Storage Analysis Through Microcantilever Vibration

    Science.gov (United States)

    Solleti, Ravi Teja; Harikrishna, Kyatham; Velmurugan, V.

    Vibrations can be a good source of energy and can be harvested and utilized by simple design and fabrication using the MEMS technology. Energy harvesting provides unending sources of energy for low-power electronics devices where the use of batteries is not feasible. Piezoelectric energy harvesters are widely considered because of their compact design, compatibility to MEMS devices and ability to respond to a wide range of frequencies freely available in the environment. In this project, a rectangular model for cantilever-based piezoelectric energy harvester is proposed with different designs like two layer, two layer with proof mass, four layer and four layer with proof mass designed with dimensions as 50μm×50μm×1μm for each layer using COMSOL Multiphysics 5.0. Simulation results were obtained using silicon as substrate, aluminium as electrodes and PZT-5H and ZnO as piezoelectric materials and the respective stress and voltages were obtained by applying a force acting on foot, train, roller coaster and a general value of 10N/m2 on top of the cantilever. The effects of varying geometrical dimensions of the device were also investigated.

  9. Engineering and manipulating exciton wave packets

    Science.gov (United States)

    Zang, Xiaoning; Montangero, Simone; Carr, Lincoln D.; Lusk, Mark T.

    2017-05-01

    When a semiconductor absorbs light, the resulting electron-hole superposition amounts to a uncontrolled quantum ripple that eventually degenerates into diffusion. If the conformation of these excitonic superpositions could be engineered, though, they would constitute a new means of transporting information and energy. We show that properly designed laser pulses can be used to create such excitonic wave packets. They can be formed with a prescribed speed, direction, and spectral make-up that allows them to be selectively passed, rejected, or even dissociated using superlattices. Their coherence also provides a handle for manipulation using active, external controls. Energy and information can be conveniently processed and subsequently removed at a distant site by reversing the original procedure to produce a stimulated emission. The ability to create, manage, and remove structured excitons comprises the foundation for optoexcitonic circuits with application to a wide range of quantum information, energy, and light-flow technologies. The paradigm is demonstrated using both tight-binding and time-domain density functional theory simulations.

  10. Models of coherent exciton condensation

    International Nuclear Information System (INIS)

    Littlewood, P B; Eastham, P R; Keeling, J M J; Marchetti, F M; Simons, B D; Szymanska, M H

    2004-01-01

    That excitons in solids might condense into a phase-coherent ground state was proposed about 40 years ago, and has been attracting experimental and theoretical attention ever since. Although experimental confirmation has been hard to come by, the concepts released by this phenomenon have been widely influential. This tutorial review discusses general aspects of the theory of exciton and polariton condensates, focusing on the reasons for coherence in the ground state wavefunction, the BCS to Bose crossover(s) for excitons and for polaritons, and the relationship of the coherent condensates to standard lasers

  11. Models of coherent exciton condensation

    Energy Technology Data Exchange (ETDEWEB)

    Littlewood, P B [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom); Eastham, P R [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom); Keeling, J M J [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom); Marchetti, F M [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom); Simons, B D [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom); Szymanska, M H [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom)

    2004-09-08

    That excitons in solids might condense into a phase-coherent ground state was proposed about 40 years ago, and has been attracting experimental and theoretical attention ever since. Although experimental confirmation has been hard to come by, the concepts released by this phenomenon have been widely influential. This tutorial review discusses general aspects of the theory of exciton and polariton condensates, focusing on the reasons for coherence in the ground state wavefunction, the BCS to Bose crossover(s) for excitons and for polaritons, and the relationship of the coherent condensates to standard lasers.

  12. Trimethylamine-N-oxide: its hydration structure, surface activity, and biological function, viewed by vibrational spectroscopy and molecular dynamics simulations.

    Science.gov (United States)

    Ohto, Tatsuhiko; Hunger, Johannes; Backus, Ellen H G; Mizukami, Wataru; Bonn, Mischa; Nagata, Yuki

    2017-03-08

    The osmolyte molecule trimethylamine-N-oxide (TMAO) stabilizes the structure of proteins. As functional proteins are generally found in aqueous solutions, an important aspect of this stabilization is the interaction of TMAO with water. Here, we review, using vibrational spectroscopy and molecular dynamics simulations, recent studies on the structure and dynamics of TMAO with its surrounding water molecules. This article ends with an outlook on the open questions on TMAO-protein and TMAO-urea interactions in aqueous environments.

  13. Effect of localized surface-plasmon mode on exciton transport and radiation emission in carbon nanotubes.

    Science.gov (United States)

    Roslyak, Oleksiy; Cherqui, Charles; Dunlap, David H; Piryatinski, Andrei

    2014-07-17

    We report on a general theoretical approach to study exciton transport and emission in a single-walled carbon nanotube (SWNT) in the presence of a localized surface-plasmon (SP) mode within a metal nanoparticle interacting via near-field coupling. We derive a set of quantum mechanical equations of motion and approximate rate equations that account for the exciton, SP, and the environmental degrees of freedom. The material equations are complemented by an expression for the radiated power that depends on the exciton and SP populations and coherences, allowing for an examination of the angular distribution of the emitted radiation that would be measured in experiment. Numerical simulations for a (6,5) SWNT and cone-shaped Ag metal tip (MT) have been performed using this methodology. Comparison with physical parameters shows that the near-field interaction between the exciton-SP occurs in a weak coupling regime, with the diffusion processes being much faster than the exciton-SP population exchange. In such a case, the effect of the exciton population transfer to the MT with its subsequent dissipation (i.e., the Förster energy transfer) is to modify the exciton steady state distribution while reducing the equilibration time for excitons to reach a steady sate distribution. We find that the radiation distribution is dominated by SP emission for a SWNT-MT separation of a few tens of nanometers due to the fast SP emission rate, whereas the exciton-SP coherences can cause its rotation.

  14. Assessment of electron propagator methods for the simulation of vibrationally-resolved valence and core photoionization spectra

    Science.gov (United States)

    Baiardi, A.; Paoloni, L.; Barone, V.; Zakrzewski, V.G.; Ortiz, J.V.

    2017-01-01

    The analysis of photoelectron spectra is usually facilitated by quantum mechanical simulations. Due to the recent improvement of experimental techniques, the resolution of experimental spectra is rapidly increasing, and the inclusion of vibrational effects is usually mandatory to obtain a reliable reproduction of the spectra. With the aim of defining a robust computational protocol, a general time-independent formulation to compute different kinds of vibrationally-resolved electronic spectra has been generalized to support also photoelectron spectroscopy. The electronic structure data underlying the simulation are computed using different electron propagator approaches. In addition to the more standard approaches, a new and robust implementation of the second-order self-energy approximation of the electron propagator based on a transition operator reference (TOEP2) is presented. To validate our implementation, a series of molecules has been used as test cases. The result of the simulations shows that, for ultraviolet photoionization spectra, the more accurate non-diagonal approaches are needed to obtain a reliable reproduction of vertical ionization energies, but diagonal approaches are sufficient for energy gradients and pole strengths. For X-ray photoelectron spectroscopy, the TOEP2 approach, besides being more efficient, is also the most accurate in the reproduction of both vertical ionization energies and vibrationally-resolved bandshapes. PMID:28521087

  15. Scalable high-performance algorithm for the simulation of exciton-dynamics. Application to the light harvesting complex II in the presence of resonant vibrational modes

    DEFF Research Database (Denmark)

    Kreisbeck, Christoph; Kramer, Tobias; Aspuru-Guzik, Alán

    2014-01-01

    high-performance many-core platforms using the Open Compute Language (OpenCL). For the light-harvesting complex II (LHC II) found in spinach, the HEOM results deviate from predictions of approximate theories and clarify the time-scale of the transfer-process. We investigate the impact of resonantly...

  16. Flow-Induced Vibration Measurement of an Inner Cladding Tube in a Simulated Dual-Cooled Fuel Rod

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Kang Hee; Kim, Hyung Kyu; Yoon, Kyung Ho; Lee, Young Ho; Kim, Jae Yong [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2009-05-15

    To create an internal coolant flow passage in a dual cooled fuel rod, an inner cladding tube cannot have intermediate supports enough to relieve its vibration. Thus it can be suffered from a flow-induced vibration (FIV) more severely than an outer cladding tube which will be supported by series of spacer grids. It may cause a fatigue failure at welding joints on the cladding's end plug or fluid elastic instability of long, slender inner cladding due to decrease of a critical flow velocity. This is one of the challenging technical issues when a dual cooled fuel assembly is to be realized into a conventional reactor core To study an actual vibration phenomenon of a dual cooled fuel rod, FIV tests using a small-scale test bundle are being carried out. Measurement results of inner cladding tube of two typically simulated rods are presented. Causes of the differences in the vibration amplitude and response spectrum of the inner cladding tube in terms of intermediate support condition and pellet stacking are discussed.

  17. Theory of Excitonic Delocalization for Robust Vibronic Dynamics in LH2.

    Science.gov (United States)

    Caycedo-Soler, Felipe; Lim, James; Oviedo-Casado, Santiago; van Hulst, Niek F; Huelga, Susana F; Plenio, Martin B

    2018-06-11

    Nonlinear spectroscopy has revealed long-lasting oscillations in the optical response of a variety of photosynthetic complexes. Different theoretical models that involve the coherent coupling of electronic (excitonic) or electronic-vibrational (vibronic) degrees of freedom have been put forward to explain these observations. The ensuing debate concerning the relevance of either mechanism may have obscured their complementarity. To illustrate this balance, we quantify how the excitonic delocalization in the LH2 unit of Rhodopseudomonas acidophila purple bacterium leads to correlations of excitonic energy fluctuations, relevant coherent vibronic coupling, and importantly, a decrease in the excitonic dephasing rates. Combining these effects, we identify a feasible origin for the long-lasting oscillations observed in fluorescent traces from time-delayed two-pulse single-molecule experiments performed on this photosynthetic complex and use this approach to discuss the role of this complementarity in other photosynthetic systems.

  18. Thermally Induced Vibrations of the Hubble Space Telescope's Solar Array 3 in a Test Simulated Space Environment

    Science.gov (United States)

    Early, Derrick A.; Haile, William B.; Turczyn, Mark T.; Griffin, Thomas J. (Technical Monitor)

    2001-01-01

    NASA Goddard Space Flight Center and the European Space Agency (ESA) conducted a disturbance verification test on a flight Solar Array 3 (SA3) for the Hubble Space Telescope using the ESA Large Space Simulator (LSS) in Noordwijk, the Netherlands. The LSS cyclically illuminated the SA3 to simulate orbital temperature changes in a vacuum environment. Data acquisition systems measured signals from force transducers and accelerometers resulting from thermally induced vibrations of the SAI The LSS with its seismic mass boundary provided an excellent background environment for this test. This paper discusses the analysis performed on the measured transient SA3 responses and provides a summary of the results.

  19. Application of Finite Element Based Simulation and Modal Testing Methods to Improve Vehicle Powertrain Idle Vibration

    Directory of Open Access Journals (Sweden)

    Polat Sendur

    2017-01-01

    Full Text Available Current practice of analytical and test methods related to the analysis, testing and improvement of vehicle vibrations is overviewed. The methods are illustrated on the determination and improvement of powertrain induced steering wheel vibration of a heavy commercial truck. More specifically, the transmissibility of powertrain idle vibration to cabin is investigated with respect to powertrain rigid body modes and modal alignment of the steering column/wheel system is considered. It is found out that roll mode of the powertrain is not separated from idle excitation for effective vibration isolation as well as steering wheel column mode is close to the 3rd engine excitation frequency order, which results in high vibration levels. Powertrain roll mode is optimized by tuning the powertrain mount stiffness to improve the performance. Steering column mode is also separated from the 3rd engine excitation frequency by the application of a mass absorber. It is concluded that the use of analytical and test methods to address the complex relation between design parameters and powertrain idle response is effective to optimize the system performance and evaluate the trade-offs in the vehicle design such as vibration performance and weight. Reference Number: www.asrongo.org/doi:4.2017.2.1.10

  20. Scaling laws of Rydberg excitons

    Science.gov (United States)

    Heckötter, J.; Freitag, M.; Fröhlich, D.; Aßmann, M.; Bayer, M.; Semina, M. A.; Glazov, M. M.

    2017-09-01

    Rydberg atoms have attracted considerable interest due to their huge interaction among each other and with external fields. They demonstrate characteristic scaling laws in dependence on the principal quantum number n for features such as the magnetic field for level crossing or the electric field of dissociation. Recently, the observation of excitons in highly excited states has allowed studying Rydberg physics in cuprous oxide crystals. Fundamentally different insights may be expected for Rydberg excitons, as the crystal environment and associated symmetry reduction compared to vacuum give not only optical access to many more states within an exciton multiplet but also extend the Hamiltonian for describing the exciton beyond the hydrogen model. Here we study experimentally and theoretically the scaling of several parameters of Rydberg excitons with n , for some of which we indeed find laws different from those of atoms. For others we find identical scaling laws with n , even though their origin may be distinctly different from the atomic case. At zero field the energy splitting of a particular multiplet n scales as n-3 due to crystal-specific terms in the Hamiltonian, e.g., from the valence band structure. From absorption spectra in magnetic field we find for the first crossing of levels with adjacent principal quantum numbers a Br∝n-4 dependence of the resonance field strength, Br, due to the dominant paramagnetic term unlike for atoms for which the diamagnetic contribution is decisive, resulting in a Br∝n-6 dependence. By contrast, the resonance electric field strength shows a scaling as Er∝n-5 as for Rydberg atoms. Also similar to atoms with the exception of hydrogen we observe anticrossings between states belonging to multiplets with different principal quantum numbers at these resonances. The energy splittings at the avoided crossings scale roughly as n-4, again due to crystal specific features in the exciton Hamiltonian. The data also allow us to

  1. Depth-kymography of vocal fold vibrations: part II. Simulations and direct comparisons with 3D profile measurements

    Energy Technology Data Exchange (ETDEWEB)

    Mul, Frits F M de; George, Nibu A; Qiu Qingjun; Rakhorst, Gerhard; Schutte, Harm K [Department of Biomedical Engineering BMSA, Faculty of Medicine, University Medical Center Groningen UMCG, University of Groningen, PO Box 196, 9700 AD Groningen (Netherlands)], E-mail: ffm@demul.net

    2009-07-07

    We report novel direct quantitative comparisons between 3D profiling measurements and simulations of human vocal fold vibrations. Until now, in human vocal folds research, only imaging in a horizontal plane was possible. However, for the investigation of several diseases, depth information is needed, especially when the two folds act differently, e.g. in the case of tumour growth. Recently, with our novel depth-kymographic laryngoscope, we obtained calibrated data about the horizontal and vertical positions of the visible surface of the vibrating vocal folds. In order to find relations with physical parameters such as elasticity and damping constants, we numerically simulated the horizontal and vertical positions and movements of the human vocal folds while vibrating and investigated the effect of varying several parameters on the characteristics of the phonation: the masses and their dimensions, the respective forces and pressures, and the details of the vocal tract compartments. Direct one-to-one comparison with measured 3D positions presents-for the first time-a direct means of validation of these calculations. This may start a new field in vocal folds research.

  2. Depth-kymography of vocal fold vibrations: part II. Simulations and direct comparisons with 3D profile measurements

    International Nuclear Information System (INIS)

    Mul, Frits F M de; George, Nibu A; Qiu Qingjun; Rakhorst, Gerhard; Schutte, Harm K

    2009-01-01

    We report novel direct quantitative comparisons between 3D profiling measurements and simulations of human vocal fold vibrations. Until now, in human vocal folds research, only imaging in a horizontal plane was possible. However, for the investigation of several diseases, depth information is needed, especially when the two folds act differently, e.g. in the case of tumour growth. Recently, with our novel depth-kymographic laryngoscope, we obtained calibrated data about the horizontal and vertical positions of the visible surface of the vibrating vocal folds. In order to find relations with physical parameters such as elasticity and damping constants, we numerically simulated the horizontal and vertical positions and movements of the human vocal folds while vibrating and investigated the effect of varying several parameters on the characteristics of the phonation: the masses and their dimensions, the respective forces and pressures, and the details of the vocal tract compartments. Direct one-to-one comparison with measured 3D positions presents-for the first time-a direct means of validation of these calculations. This may start a new field in vocal folds research.

  3. Plasmonic, excitonic and exciton-plasmonic photoinduced nanocomposites

    Science.gov (United States)

    Bityurin, N.; Ermolaev, N.; Smirnov, A. A.; Afanasiev, A.; Agareva, N.; Koryukina, T.; Bredikhin, V.; Kamensky, V.; Pikulin, A.; Sapogova, N.

    2016-03-01

    UV irradiation of materials consisting of a polymer matrix that possesses precursors of different kinds can result in creation of nanoparticles within the irradiated domains. Such photoinduced nanocomposites are promising for photonic applications due to the strong alteration of their optical properties compared to initial non-irradiated materials. We report our results on the synthesis and investigation of plasmonic, excitonic and exciton-plasmonic photoinduced nanocomposites. Plasmonic nanocomposites contain metal nanoparticles of noble metals with a pronounced plasmon resonance. Excitonic nanocomposites possess semiconductor nanoclusters (quantum dots). We consider the CdS-Au pair because the luminescent band of CdS nanoparticles enters the plasmon resonance band of gold nanoparticles. The obtaining of such particles within the same composite materials is promising for the creation of media with exciton-plasmon resonance. We demonstrate that it is possible to choose appropriate precursor species to obtain the initially transparent poly(methyl methacrylate) (PMMA) films containing both types of these molecules either separately or together. Proper irradiation of these materials by a light-emitting diode operating at the wavelength of 365 nm provides material alteration demonstrating light-induced optical absorption and photoluminescent properties typical for the corresponding nanoparticles. Thus, an exciton-plasmonic photoinduced nanocomposite is obtained. It is important that here we use the precursors that are different from those usually employed.

  4. Flow-induced vibration and flow characteristics prediction for a sliding roller gate by two-dimensional unsteady CFD simulation

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Nak-Geun; Lee, Kye-Bock [Chungbuk National University, Cheongju (Korea, Republic of); Cho, Yong [Korea Water Resources Corporation, Daejeon (Korea, Republic of)

    2017-07-15

    Numerical analysis on the flow induced vibration and flow characteristics in the water gate has been carried out by 2-dimensional unsteady CFD simulation when sea water flows into the port in the river. Effect of gate opening on the frequency and the mean velocity and the vortex shedding under the water gate were studied. The streamlines were compared for various gate openings. To get the frequency spectrum, Fourier transform should be performed. Spectral analysis of the excitation force signals permitted identification of the main characteristics of the interaction process. The results show that the sources of disturbed frequency are the vortex shedding from under the water gate. As the gate opening ratio increases, the predicted vibration frequency decreases. The bottom scouring occurs for large gate opening rather than smaller one. The unstable operation conditions can be estimated by using the CFD results and the Strouhal number results for various gate opening gaps.

  5. Flow-induced vibration and flow characteristics prediction for a sliding roller gate by two-dimensional unsteady CFD simulation

    International Nuclear Information System (INIS)

    Kim, Nak-Geun; Lee, Kye-Bock; Cho, Yong

    2017-01-01

    Numerical analysis on the flow induced vibration and flow characteristics in the water gate has been carried out by 2-dimensional unsteady CFD simulation when sea water flows into the port in the river. Effect of gate opening on the frequency and the mean velocity and the vortex shedding under the water gate were studied. The streamlines were compared for various gate openings. To get the frequency spectrum, Fourier transform should be performed. Spectral analysis of the excitation force signals permitted identification of the main characteristics of the interaction process. The results show that the sources of disturbed frequency are the vortex shedding from under the water gate. As the gate opening ratio increases, the predicted vibration frequency decreases. The bottom scouring occurs for large gate opening rather than smaller one. The unstable operation conditions can be estimated by using the CFD results and the Strouhal number results for various gate opening gaps.

  6. Effect of disorder on exciton dissociation in conjugated polymers

    International Nuclear Information System (INIS)

    Feng Yuwen; Zhao Hui; Chen Yuguang; Yan Yonghong

    2017-01-01

    By using a multi-configurational time-dependent Hartree–Fock (MCTDHF) method for the time-dependent Schrödinger equation and a Newtonian equation of motion for lattice, we investigate the disorder effects on the dissociation process of excitons in conjugated polymer chains. The simulations are performed within the framework of an extended version of the Su–Schrieffer–Heeger model modified to include on-site disorder, off-diagonal, electron–electron interaction, and an external electric field. Our results show that Coulomb correlation effects play an important role in determining the exciton dissociation process. The electric field required to dissociate an exciton can practically impossibly occur in a pure polymer chain, especially in the case of triplet exciton. However, when the on-site disorder effects are taken into account, this leads to a reduction in mean dissociation electric fields. As the disorder strength increases, the dissociation field decreases effectively. On the contrary, the effects of off-diagonal disorder are negative in most cases. Moreover, the dependence of exciton dissociation on the conjugated length is also discussed. (paper)

  7. Modeling temperature dependent singlet exciton dynamics in multilayered organic nanofibers

    Science.gov (United States)

    de Sousa, Leonardo Evaristo; de Oliveira Neto, Pedro Henrique; Kjelstrup-Hansen, Jakob; da Silva Filho, Demétrio Antônio

    2018-05-01

    Organic nanofibers have shown potential for application in optoelectronic devices because of the tunability of their optical properties. These properties are influenced by the electronic structure of the molecules that compose the nanofibers and also by the behavior of the excitons generated in the material. Exciton diffusion by means of Förster resonance energy transfer is responsible, for instance, for the change with temperature of colors in the light emitted by systems composed of different types of nanofibers. To study in detail this mechanism, we model temperature dependent singlet exciton dynamics in multilayered organic nanofibers. By simulating absorption and emission spectra, the possible Förster transitions are identified. Then, a kinetic Monte Carlo model is employed in combination with a genetic algorithm to theoretically reproduce time-resolved photoluminescence measurements for several temperatures. This procedure allows for the obtainment of different information regarding exciton diffusion in such a system, including temperature effects on the Förster transfer efficiency and the activation energy of the Förster mechanism. The method is general and may be employed for different systems where exciton diffusion plays a role.

  8. Quantum confinement-induced tunable exciton states in graphene oxide.

    Science.gov (United States)

    Lee, Dongwook; Seo, Jiwon; Zhu, Xi; Lee, Jiyoul; Shin, Hyeon-Jin; Cole, Jacqueline M; Shin, Taeho; Lee, Jaichan; Lee, Hangil; Su, Haibin

    2013-01-01

    Graphene oxide has recently been considered to be a potential replacement for cadmium-based quantum dots due to its expected high fluorescence. Although previously reported, the origin of the luminescence in graphene oxide is still controversial. Here, we report the presence of core/valence excitons in graphene-based materials, a basic ingredient for optical devices, induced by quantum confinement. Electron confinement in the unreacted graphitic regions of graphene oxide was probed by high resolution X-ray absorption near edge structure spectroscopy and first-principles calculations. Using experiments and simulations, we were able to tune the core/valence exciton energy by manipulating the size of graphitic regions through the degree of oxidation. The binding energy of an exciton in highly oxidized graphene oxide is similar to that in organic electroluminescent materials. These results open the possibility of graphene oxide-based optoelectronic device technology.

  9. Axial vibrations of brass wind instrument bells and their acoustical influence: Theory and simulations.

    Science.gov (United States)

    Kausel, Wilfried; Chatziioannou, Vasileios; Moore, Thomas R; Gorman, Britta R; Rokni, Michelle

    2015-06-01

    Previous work has demonstrated that structural vibrations of brass wind instruments can audibly affect the radiated sound. Furthermore, these broadband effects are not explainable by assuming perfect coincidence of the frequency of elliptical structural modes with air column resonances. In this work a mechanism is proposed that has the potential to explain the broadband influences of structural vibrations on acoustical characteristics such as input impedance, transfer function, and radiated sound. The proposed mechanism involves the coupling of axial bell vibrations to the internal air column. The acoustical effects of such axial bell vibrations have been studied by extending an existing transmission line model to include the effects of a parasitic flow into vibrating walls, as well as distributed sound pressure sources due to periodic volume fluctuations in a duct with oscillating boundaries. The magnitude of these influences in typical trumpet bells, as well as in a complete instrument with an unbraced loop, has been studied theoretically. The model results in predictions of input impedance and acoustical transfer function differences that are approximately 1 dB for straight instruments and significantly higher when coiled tubes are involved or when very thin brass is used.

  10. Vibrational spectra of crystalline formic and acetic acid isotopologues by inelastic neutron scattering and numerical simulations

    International Nuclear Information System (INIS)

    Johnson, M.R.; Trommsdorff, H.P.

    2009-01-01

    Vibrational spectra of crystalline powder of four isotopologues of formic acid (HCOOH, HCOOD, DCOOH, DCOOD) and of acetic acid (CH 3 COOH, CH 3 COOD, CD 3 COOH, CD 3 COOD) were recorded at 20 K by inelastic neutron scattering. These spectra are compared with computed spectra based on harmonic force fields derived from periodic density functional theory (DFT) calculations. The assignment of all internal vibrations is obvious from the spectral changes under isotopic substitution. Discrepancies between calculation and experiment expose the over evaluation of the strength of the hydrogen bond by these standard DFT calculations

  11. Numerical Simulation of Vertical Random Vibration of Train-Slab Track-Bridge Interaction System by PEM

    Directory of Open Access Journals (Sweden)

    Zhi-ping Zeng

    2014-01-01

    Full Text Available The paper describes the numerical simulation of the vertical random vibration of train-slab track-bridge interaction system by means of finite element method and pseudoexcitation method. Each vehicle is modeled as four-wheelset mass-spring-damper system with two-layer suspension systems. The rail, slab, and bridge girder are modeled by three-layer elastic Bernoulli-Euler beams connected with each other by spring and damper elements. The equations of motion for the entire system are derived according to energy principle. By regarding rail irregularity as a series of multipoint, different-phase random excitations, the random load vectors of the equations of motion are obtained by pseudoexcitation method. Taking a nine-span simply supported beam bridge traveled by a train consisting of 8 vehicles as an example, the vertical random vibration responses of the system are investigated. Firstly, the suitable number of discrete frequencies of rail irregularity is obtained by numerical experimentations. Secondly, the reliability and efficiency of pseudoexcitation method are verified through comparison with Monte Carlo method. Thirdly, the random vibration characteristics of train-slab track-bridge interaction system are analyzed by pseudoexcitation method. Finally, applying the 3σ rule for Gaussian stochastic process, the maximum responses of train-slab track-bridge interaction system with respect to various train speeds are studied.

  12. Multimodal interaction in the perception of impact events displayed via a multichannel audio and simulated structure-borne vibration

    Science.gov (United States)

    Martens, William L.; Woszczyk, Wieslaw

    2005-09-01

    For multimodal display systems in which realistic reproduction of impact events is desired, presenting structure-borne vibration along with multichannel audio recordings has been observed to create a greater sense of immersion in a virtual acoustic environment. Furthermore, there is an increased proportion of reports that the impact event took place within the observer's local area (this is termed ``presence with'' the event, in contrast to ``presence in'' the environment in which the event occurred). While holding the audio reproduction constant, varying the intermodal arrival time and level of mechanically displayed, synthetic whole-body vibration revealed a number of other subjective attributes that depend upon multimodal interaction in the perception of a representative impact event. For example, when the structure-borne component of the displayed impact event arrived 10 to 20 ms later than the airborne component, the intermodal delay was not only tolerated, but gave rise to an increase in the proportion of reports that the impact event had greater power. These results have enabled the refinement of a multimodal simulation in which the manipulation of synthetic whole-body vibration can be used to control perceptual attributes of impact events heard within an acoustic environment reproduced via a multichannel loudspeaker array.

  13. Ultrasonic Vibration Assisted Grinding of Bio-ceramic Materials: Modeling, Simulation, and Experimental Investigations on Edge Chipping

    Science.gov (United States)

    Tesfay, Hayelom D.

    , and Alumina) were conducted. Based on the experimental results, analytical models for UVAG and CG (conventional grinding without ultrasonic vibration) processes were developed. As for the numerical study, an extended finite element method (XFEM) based on Virtual Crack Closure Technique (VCCT) in ABAQUS was used to model the formation of edge chippings both for UVAG and CG processes. The experimental results are compared against the numerical FEA and the analytical models. The experimental, theoretical, and computational simulation results revealed that the edge chipping size of bioceramics can be significantly reduced with the assistance of ultrasonic vibration. The investigation procedures and the results obtained in this dissertation would be used as a reference and practical guidance for choosing reasonable process variables as well as designing mathematical (analytical and numerical) models in manufacturing industries and academic institutions when the edge chippings of brittle materials are expected to be controlled.

  14. DFT simulations and vibrational spectra of 2-amino-2-methyl-1,3-propanediol

    Science.gov (United States)

    Renuga Devi, T. S.; Sharmi kumar, J.; Ramkumaar, G. R.

    2014-12-01

    The FTIR and FT-Raman spectra of 2-amino-2-methyl-1,3-propanediol were recorded in the regions 4000-400 cm-1 and 4000-50 cm-1 respectively. The structural and spectroscopic data of the molecule in the ground state were calculated using Hartee-Fock and density functional method (B3LYP) with the augmented-correlation consistent-polarized valence double zeta (aug-cc-pVDZ) basis set. The most stable conformer was optimized and the structural and vibrational parameters were determined based on this. The complete assignments were performed on the basis of the Potential Energy Distribution (PED) of the vibrational modes, calculated using Vibrational Energy Distribution Analysis (VEDA) 4 program. With the observed FTIR and FT-Raman data, a complete vibrational assignment and analysis of the fundamental modes of the compound were carried out. Thermodynamic properties and Mulliken charges were calculated using both Hartee-Fock and density functional method using the aug-cc-pVDZ basis set and compared. The calculated HOMO-LUMO energy gap revealed that charge transfer occurs within the molecule. 1H and 13C NMR chemical shifts of the molecule were calculated using Gauge-Independent Atomic Orbital (GIAO) method and were compared with experimental results.

  15. Numerical simulations of vortex-induced vibrations of a flexible riser with different aspect ratiosin uniform and shear currents

    Science.gov (United States)

    Duanmu, Yu; Zou, Lu; Wan, De-cheng

    2017-12-01

    This paper aimed at describing numerical simulations of vortex-induced vibrations (VIVs) of a long flexible riser with different length-to-diameter ratio (aspect ratio) in uniform and shear currents. Three aspect ratios were simulated: L/D = 500, 750 and 1 000. The simulation was carried out by the in-house computational fluid dynamics (CFD) solver viv-FOAM-SJTU developed by the authors, which was coupled with the strip method and developed on the OpenFOAM platform. Moreover, the radial basis function (RBF) dynamic grid technique is applied to the viv-FOAM-SJTU solver to simulate the VIV in both in-line (IL) and cross-flow (CF) directions of flexible riser with high aspect ratio. The validation of the benchmark case has been completed. With the same parameters, the aspect ratio shows a significant influence on VIV of a long flexible riser. The increase of aspect ratio exerted a strong effect on the IL equilibrium position of the riser while producing little effect on the curvature of riser. With the aspect ratio rose from 500 to 1 000, the maximum IL mean displacement increased from 3 times the diameter to 8 times the diameter. On the other hand, the vibration mode of the riser would increase with the increase of aspect ratio. When the aspect ratio was 500, the CF vibration was shown as a standing wave with a 3rd order single mode. When the aspect ratio was 1 000, the modal weights of the 5th and 6th modes are high, serving as the dominant modes. The effect of the flow profile on the oscillating mode becomes more and more apparent when the aspect ratio is high, and the dominant mode of riser in shear flow is usually higher than that in uniform flow. When the aspect ratio was 750, the CF oscillations in both uniform flow and shear flow showed multi-mode vibration of the 4th and 5th mode. While, the dominant mode in uniform flow is the 4th order, and the dominant mode in shear flow is the 5th order.

  16. Molecular plasmonics: The role of rovibrational molecular states in exciton-plasmon materials under strong-coupling conditions

    Science.gov (United States)

    Sukharev, Maxim; Charron, Eric

    2017-03-01

    We extend the model of exciton-plasmon materials to include a rovibrational structure of molecules using wave-packet propagations on electronic potential energy surfaces. Our model replaces conventional two-level emitters with more complex molecules, allowing us to examine the influence of alignment and vibrational dynamics on strong coupling with surface plasmon-polaritons. We apply the model to a hybrid system comprising a thin layer of molecules placed on top of a periodic array of slits. Rigorous simulations are performed for two types of molecular systems described by vibrational bound-bound and bound-continuum electronic transitions. Calculations reveal new features in transmission, reflection, and absorption spectra, including the observation of significantly higher values of the Rabi splitting and vibrational patterns clearly seen in the corresponding spectra. We also examine the influence of anisotropic initial conditions on optical properties of hybrid materials, demonstrating that the optical response of the system is significantly affected by an initial prealignment of the molecules. Our work demonstrates that prealigned molecules could serve as an efficient probe for the subdiffraction characterization of the near-field near metal interfaces.

  17. Localization of simulated damage on a steel beam from random vibrations

    Czech Academy of Sciences Publication Activity Database

    Bayer, Jan; Král, J.; Urushadze, Shota

    2018-01-01

    Roč. 62, č. 1 (2018), s. 112-116 ISSN 0553-6626 R&D Projects: GA ČR(CZ) GC17-26353J Institutional support: RVO:68378297 Keywords : damage localization * change of natural modes * flexibility matrix * flexibility curvatures * case study * damage detection * vibration monitoring Subject RIV: JM - Building Engineering OBOR OECD: Construction engineering, Municipal and structural engineering Impact factor: 0.313, year: 2016 https://pp.bme.hu/ci/ article /view/10625

  18. Numerical simulation of an elementary Vortex-Induced-Vibration problem by using fully-coupled fluid solid system computation

    Directory of Open Access Journals (Sweden)

    M Pomarède

    2016-09-01

    Full Text Available Numerical simulation of Vortex-Induced-Vibrations (VIV of a rigid circular elastically-mounted cylinder submitted to a fluid cross-flow has been extensively studied over the past decades, both experimentally and numerically, because of its theoretical and practical interest for understanding Flow-Induced-Vibrations (FIV problems. In this context, the present article aims to expose a numerical study based on fully-coupled fluid-solid computations compared to previously published work [34], [36]. The computational procedure relies on a partitioned method ensuring the coupling between fluid and structure solvers. The fluid solver involves a moving mesh formulation for simulation of the fluid structure interface motion. Energy exchanges between fluid and solid models are ensured through convenient numerical schemes. The present study is devoted to a low Reynolds number configuration. Cylinder motion magnitude, hydrodynamic forces, oscillation frequency and fluid vortex shedding modes are investigated and the “lock-in” phenomenon is reproduced numerically. These numerical results are proposed for code validation purposes before investigating larger industrial applications such as configurations involving tube arrays under cross-flows [4].

  19. Computational simulations of vocal fold vibration: Bernoulli versus Navier-Stokes.

    Science.gov (United States)

    Decker, Gifford Z; Thomson, Scott L

    2007-05-01

    The use of the mechanical energy (ME) equation for fluid flow, an extension of the Bernoulli equation, to predict the aerodynamic loading on a two-dimensional finite element vocal fold model is examined. Three steady, one-dimensional ME flow models, incorporating different methods of flow separation point prediction, were compared. For two models, determination of the flow separation point was based on fixed ratios of the glottal area at separation to the minimum glottal area; for the third model, the separation point determination was based on fluid mechanics boundary layer theory. Results of flow rate, separation point, and intraglottal pressure distribution were compared with those of an unsteady, two-dimensional, finite element Navier-Stokes model. Cases were considered with a rigid glottal profile as well as with a vibrating vocal fold. For small glottal widths, the three ME flow models yielded good predictions of flow rate and intraglottal pressure distribution, but poor predictions of separation location. For larger orifice widths, the ME models were poor predictors of flow rate and intraglottal pressure, but they satisfactorily predicted separation location. For the vibrating vocal fold case, all models resulted in similar predictions of mean intraglottal pressure, maximum orifice area, and vibration frequency, but vastly different predictions of separation location and maximum flow rate.

  20. Magnetic exciton dispersion in praseodymium

    DEFF Research Database (Denmark)

    Rainford, B. D.; Houmann, Jens Christian Gylden

    1971-01-01

    Measurements of the dispersion of magnetic excitons have been made in a single crystal of praseodymium metal using inelastic neutron scattering. A preliminary analysis of the data yields the first detailed information about the exchange interactions and the crystal field splittings in the light...... rare-earth metals....

  1. Plasmon exciton-polariton lasing

    NARCIS (Netherlands)

    Ramezani, M.; Halpin, H.A.; Feist, J.; Fernández-Dominguez, A.; Rodriguez, S.R.K.; Garcia-Vidal, F.J.; Gomez-Rivas, J.

    2017-01-01

    Strong light-matter interaction leads to the appearance of new states, i.e. exciton-polaritons, with photophysical properties rather distinct from their constituents. Recent developments in fabrication techniques allow us to make metallic structures with strong electric field confinement in

  2. The nature of singlet excitons in oligoacene molecular crystals

    KAUST Repository

    Yamagata, H.; Norton, J.; Hontz, E.; Olivier, Y.; Beljonne, D.; Brédas, J. L.; Silbey, R. J.; Spano, F. C.

    2011-01-01

    A theory for polarized absorption in crystalline oligoacenes is presented, which includes Frenkel exciton coupling, the coupling between Frenkel and charge-transfer (CT) excitons, and the coupling of all neutral and ionic excited states to the dominant ring-breathing vibrational mode. For tetracene, spectra calculated using all Frenkel couplings among the five lowest energy molecular singlet states predict a Davydov splitting (DS) of the lowest energy (0-0) vibronic band of only -32cm-1, far smaller than the measured value of 631cm-1 and of the wrong sign-a negative sign indicating that the polarizations of the lower and upper Davydov components are reversed from experiment. Inclusion of Frenkel-CT coupling dramatically improves the agreement with experiment, yielding a 0-0 DS of 601cm-1 and a nearly quantitative reproduction of the relative spectral intensities of the 0-n vibronic components. Our analysis also shows that CT mixing increases with the size of the oligoacenes. We discuss the implications of these results on exciton dissociation and transport. © 2011 American Institute of Physics.

  3. Electronic energy transfer through non-adiabatic vibrational-electronic resonance. II. 1D spectra for a dimer

    Science.gov (United States)

    Tiwari, Vivek; Jonas, David M.

    2018-02-01

    Vibrational-electronic resonance in photosynthetic pigment-protein complexes invalidates Förster's adiabatic framework for interpreting spectra and energy transfer, thus complicating determination of how the surrounding protein affects pigment properties. This paper considers the combined effects of vibrational-electronic resonance and inhomogeneous variations in the electronic excitation energies of pigments at different sites on absorption, emission, circular dichroism, and hole-burning spectra for a non-degenerate homodimer. The non-degenerate homodimer has identical pigments in different sites that generate differences in electronic energies, with parameters loosely based on bacteriochlorophyll a pigments in the Fenna-Matthews-Olson antenna protein. To explain the intensity borrowing, the excited state vibrational-electronic eigenvectors are discussed in terms of the vibrational basis localized on the individual pigments, as well as the correlated/anti-correlated vibrational basis delocalized over both pigments. Compared to those in the isolated pigment, vibrational satellites for the correlated vibration have the same frequency and precisely a factor of 2 intensity reduction through vibrational delocalization in both absorption and emission. Vibrational satellites for anti-correlated vibrations have their relaxed emission intensity reduced by over a factor 2 through vibrational and excitonic delocalization. In absorption, anti-correlated vibrational satellites borrow excitonic intensity but can be broadened away by the combination of vibronic resonance and site inhomogeneity; in parallel, their vibronically resonant excitonic partners are also broadened away. These considerations are consistent with photosynthetic antenna hole-burning spectra, where sharp vibrational and excitonic satellites are absent. Vibrational-excitonic resonance barely alters the inhomogeneously broadened linear absorption, emission, and circular dichroism spectra from those for a

  4. Spatially indirect excitons in coupled quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Lai, Chih-Wei Eddy [Univ. of California, Berkeley, CA (United States)

    2004-03-01

    Microscopic quantum phenomena such as interference or phase coherence between different quantum states are rarely manifest in macroscopic systems due to a lack of significant correlation between different states. An exciton system is one candidate for observation of possible quantum collective effects. In the dilute limit, excitons in semiconductors behave as bosons and are expected to undergo Bose-Einstein condensation (BEC) at a temperature several orders of magnitude higher than for atomic BEC because of their light mass. Furthermore, well-developed modern semiconductor technologies offer flexible manipulations of an exciton system. Realization of BEC in solid-state systems can thus provide new opportunities for macroscopic quantum coherence research. In semiconductor coupled quantum wells (CQW) under across-well static electric field, excitons exist as separately confined electron-hole pairs. These spatially indirect excitons exhibit a radiative recombination time much longer than their thermal relaxation time a unique feature in direct band gap semiconductor based structures. Their mutual repulsive dipole interaction further stabilizes the exciton system at low temperature and screens in-plane disorder more effectively. All these features make indirect excitons in CQW a promising system to search for quantum collective effects. Properties of indirect excitons in CQW have been analyzed and investigated extensively. The experimental results based on time-integrated or time-resolved spatially-resolved photoluminescence (PL) spectroscopy and imaging are reported in two categories. (i) Generic indirect exciton systems: general properties of indirect excitons such as the dependence of exciton energy and lifetime on electric fields and densities were examined. (ii) Quasi-two-dimensional confined exciton systems: highly statistically degenerate exciton systems containing more than tens of thousands of excitons within areas as small as (10 micrometer)2 were

  5. Simulation of the vibrational chemistry and the infrared signature induced by a Sprite streamer in the mesosphere

    Science.gov (United States)

    Romand, F.; Payan, S.; Croize, L.

    2017-12-01

    Since their first observation in 1989, effect of TLEs on the atmospheric composition has become an open and important question. The lack of suitable experimental data is a shortcoming that hampers our understanding of the physics and chemistry induced by these effects. HALESIS (High-Altitude Luminous Events Studied by Infrared Spectro-imagery) is a future experiment dedicated to the measurement of the atmospheric perturbation induced by a TLE in the minutes following its occurrence, from a stratospheric balloon flying at an altitude of 25 km to 40 km. This work aims to quantify the local chemical impact of sprites in the stratosphere and mesosphere. In this paper, we will present the development of a tool which simulates (i) the impact of a sprite on the vibrational chemistry, (ii) the resulting infrared signature and (iii) the propagation of this signature through the atmosphere to an observer. First the Non Local Thermodynamic Equilibrium populations of a background atmosphere were computed using SAMM2 code. The initial thermodynamic and chemical description of atmosphere comes from the Whole Atmosphere community Climate Model (WACCM). Then a perturbation was applied to simulate a sprite. Chemistry due to TLEs was computed using Gordillo-Vazquez kinetic model. Rate coefficients that depend on the electron energy distribution function were calculated from collision cross-section data by solving the electron Boltzmann equation (BE). Time evolutions of the species densities and of vibrational populations in the non-thermal plasma consecutive to sprite discharge were simulated using the computer code ZDPlasKin (S. Pancheshn et al.). Finally, the resulting infrared signatures were propagated from the disturbed area through the atmosphere to an instrument placed in a limb line of sight using a line by line radiative transfer model. We will conclude that sprite could produce a significant infrared signature that last a few tens of seconds after the visible flash.

  6. Modal Parameter Identification and Numerical Simulation for Self-anchored Suspension Bridges Based on Ambient Vibration

    Science.gov (United States)

    Liu, Bing; Sun, Li Guo

    2018-06-01

    This paper chooses the Nanjing-Hangzhou high speed overbridge, a self-anchored suspension bridge, as the research target, trying to identify the dynamic characteristic parameters of the bridge by using the peak-picking method to analyze the velocity response data under ambient excitation collected by 7 vibration pickup sensors set on the bridge deck. The ABAQUS is used to set up a three-dimensional finite element model for the full bridge and amends the finite element model of the suspension bridge based on the identified modal parameter, and suspender force picked by the PDV100 laser vibrometer. The study shows that the modal parameter can well be identified by analyzing the bridge vibration velocity collected by 7 survey points. The identified modal parameter and measured suspender force can be used as the basis of the amendment of the finite element model of the suspension bridge. The amended model can truthfully reflect the structural physical features and it can also be the benchmark model for the long-term health monitoring and condition assessment of the bridge.

  7. Experimental investigation of the vibration response of a flexible tube due to simulated reactor core, cross and annular exit flows

    International Nuclear Information System (INIS)

    Haslinger, K.H.; Martin, M.L.; Higgins, W.H.; Rossano, F.V.

    1989-01-01

    Instrumentation tubes in pressurized nuclear reactors have experienced wear due to excessive flow-induced vibrations. Experiments to identify the predominant flow excitation mechanism at a particular plant, and to develop a sleeve design to remedy the wear problem are reported. An instrumented flow visualization model enabled simulation of a wide range of individual or combined reactor core flow, cross flow and thimble flow conditions. The instrumentation scheme adopted for these experiments used proximity displacement transducers and a force transducer to measure respectively tube motion and contact/impact forces at the wear region. Extensive testing of the original, in-plant configuration identified the normal core flow as the primary source of excitation. Shielding the In-Core-Instrumentation thimble tube from the normal core flow curtailed vibration amplitudes; however, thimble flow excitation then became more pronounced. Various outlet nozzle configurations were investigated. An internal cavity combined with radial outlet slots became the optimum solution for the problem. The paper presents typical test data in the form of orbital tube motion, spectrum analysis and time history collages. The effectiveness of shielding the instrumentation tube from the flow is demonstrated. (author)

  8. Pronounced low-frequency vibrational thermal transport in C60 fullerite realized through pressure-dependent molecular dynamics simulations

    Science.gov (United States)

    Giri, Ashutosh; Hopkins, Patrick E.

    2017-12-01

    Fullerene condensed-matter solids can possess thermal conductivities below their minimum glassy limit while theorized to be stiffer than diamond when crystallized under pressure. These seemingly disparate extremes in thermal and mechanical properties raise questions into the pressure dependence on the thermal conductivity of C60 fullerite crystals, and how the spectral contributions to vibrational thermal conductivity changes under applied pressure. To answer these questions, we investigate the effect of strain on the thermal conductivity of C60 fullerite crystals via pressure-dependent molecular dynamics simulations under the Green-Kubo formalism. We show that the thermal conductivity increases rapidly with compressive strain, which demonstrates a power-law relationship similar to their stress-strain relationship for the C60 crystals. Calculations of the density of states for the crystals under compressive strains reveal that the librational modes characteristic in the unstrained case are diminished due to densification of the molecular crystal. Over a large compression range (0-20 GPa), the Leibfried-Schlömann equation is shown to adequately describe the pressure dependence of thermal conductivity, suggesting that low-frequency intermolecular vibrations dictate heat flow in the C60 crystals. A spectral decomposition of the thermal conductivity supports this hypothesis.

  9. Simulation of Free Airfoil Vibrations in Incompressible Viscous Flow — Comparison of FEM and FVM

    Directory of Open Access Journals (Sweden)

    Petr Sváček

    2012-01-01

    Full Text Available This paper deals with a numerical solution of the interaction of two-dimensional (2-D incompressible viscous flow and a vibrating profile NACA 0012 with large amplitudes. The laminar flow is described by the Navier-Stokes equations in the arbitrary Lagrangian-Eulerian form. The profile with two degrees of freedom (2-DOF can rotate around its elastic axis and oscillate in the vertical direction. Its motion is described by a nonlinear system of two ordinary differential equations. Deformations of the computational domain due to the profile motion are treated by the arbitrary Lagrangian-Eulerianmethod. The finite volume method and the finite element method are applied, and the numerical results are compared.

  10. Understanding and simulating vibrations of plain bridge cables under varying meteorological conditions

    DEFF Research Database (Denmark)

    Matteoni, Giulia

    amplitude peak to peak amplitudes, occurred. This latter behaviour was likely to be associated to dry inclined galloping. Passive dynamic wind tunnel tests were finally undertaken in presence of rain, using the same cable model as adopted in the dry state. The tests served to improve the current......The dissertation investigates the phenomenon of wind induced vibration of bridge cables under varying meteorological conditions. A twin research approach is adopted, where wind tunnel investigation of full-scale bridge cable section models is paralleled with theoretical modelling. A literature......-scale monitoring, wind tunnel testing and theoretical modelling. An extensive wind tunnel test campaign was then undertaken in order to further understand the onset conditions and characteristics of instability in the different climatic conditions described in the literature. Tests were separated into two...

  11. Finite-Element Simulation of Cantilever Vibrations in Atomic Force Acoustic Microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Beltran, F J Espinoza [Centro de Investigacion y Estudios Avanzados del IPN. Unidad Queretaro, Apdo. Postal 1-798, 76001 Queretaro, Qro. (Mexico); Scholz, T [Hamburg University of Technology, Institute of Advanced Ceramics, Denickestrasse 15, D-21073 Hamburg (Germany); Schneider, G A [Hamburg University of Technology, Institute of Advanced Ceramics, Denickestrasse 15, D-21073 Hamburg (Germany); Munoz-Saldana, J [Centro de Investigacion y Estudios Avanzados del IPN. Unidad Queretaro, Apdo. Postal 1-798, 76001 Queretaro, Qro. (Mexico); Rabe, U [Fraunhofer Institute for Non-Destructive Testing (IZFP), Bldg. E3.1, University, D-66123 Saarbruecken (Germany); Arnold, W [Fraunhofer Institute for Non-Destructive Testing (IZFP), Bldg. E3.1, University, D-66123 Saarbruecken (Germany)

    2007-03-15

    Atomic Force Acoustic Microscopy has been proven to be a powerful technique for materials characterization with nanoscale lateral resolution. This technique allows one to obtain images of elastic properties of materials. By means of spectroscopic measurements of the tip-sample contact-resonance frequencies, it is possible to obtain quantitative values of the mechanical stiffness of the sample surface. For quantitative analysis a reliable relation between the spectroscopic data and the contact stiffness is required based on a correct geometrical model of the cantilever vibrations. This model must be precise enough for predicting the resonance frequencies of the tip-sample interaction when excited over a wide range of frequencies. Analytical models have served as a good reference for understanding the vibrational behavior of the AFM cantilever. They have certain limits, however, for reproducing the tip-sample contact-resonances due to the cantilever geometries used. For obtaining the local elastic modulus of samples, it is necessary to know the tip-sample contact area which is usually obtained by a calibration procedure with a reference sample. In this work we show that finiteelement modeling may be used to replace the analytical inversion procedure for AFAM data. First, the three first bending modes of cantilever resonances were used for finding the geometrical dimension of the cantilever employed. Then the normal and in-plane stiffness of the sample were obtained for each measurement on the surface to be measured. A calibration was needed to obtain the tip position of the cantilever by making measurements on a sample with known surface elasticity, here crystalline silicon. The method developed in this work was applied to AFAM measurements on silicon, zerodur, and strontium titanate.

  12. Exciton Binding Energy of Monolayer WS2

    Science.gov (United States)

    Zhu, Bairen; Chen, Xi; Cui, Xiaodong

    2015-03-01

    The optical properties of monolayer transition metal dichalcogenides (TMDC) feature prominent excitonic natures. Here we report an experimental approach to measuring the exciton binding energy of monolayer WS2 with linear differential transmission spectroscopy and two-photon photoluminescence excitation spectroscopy (TP-PLE). TP-PLE measurements show the exciton binding energy of 0.71 +/- 0.01 eV around K valley in the Brillouin zone.

  13. Fractional Solitons in Excitonic Josephson Junctions

    OpenAIRE

    Hsu, Ya-Fen; Su, Jung-Jung

    2015-01-01

    The Josephson effect is especially appealing to physicists because it reveals macroscopically the quantum order and phase. In excitonic bilayers the effect is even subtler due to the counterflow of supercurrent as well as the tunneling between layers (interlayer tunneling). Here we study, in a quantum Hall bilayer, the excitonic Josephson junction: a conjunct of two exciton condensates with a relative phase ? 0 applied. The system is mapped into a pseudospin ferromagnet then described numeric...

  14. Modeling Temperature Dependent Singlet Exciton Dynamics in Multilayered Organic Nanofibers

    DEFF Research Database (Denmark)

    de Sousa, Leonardo Evaristo; de Oliveira Neto, Pedro Henrique; Kjelstrup-Hansen, Jakob

    2018-01-01

    Organic nanofibers have shown potential for application in optoelectronic devices because of the tunability of their optical properties. These properties are influenced by the electronic structure of the molecules that compose the nanofibers, but also by the behavior of the excitons generated...... dynamics in multilayered organic nanofibers. By simulating absorption and emission spectra, the possible Förster transitions are identified. Then, a Kinetic Monte Carlo (KMC) model is employed in combination with a genetic algorithm to theoretically reproduce time resolved photoluminescence measurements...

  15. Excitons in the rare gas solids

    International Nuclear Information System (INIS)

    1988-01-01

    Excitons play a prominent role in the chemistry and physics of condensed matter. Excitons in the rare gas solids, the prototypical van der Waals insulators, will be the focus of the remainder of this report. The goal here is to investigate the controversies surrounding the description of excitons in insulators and, therefore the simplest class of these solids, namely the rare gas solids, is chosen as the exemplary system. Specific problems associated with molecular crystals are, therefore, avoided and only the salient features of excitons are thus considered. 47 refs., 9 figs., 4 tabs

  16. Density-dependent squeezing of excitons in highly excited semiconductors

    International Nuclear Information System (INIS)

    Nguyen Hong Quang.

    1995-07-01

    The time evolution from coherent states to squeezed states of high density excitons is studied theoretically based on the boson formalism and within the Random Phase Approximation. Both the mutual interaction between excitons and the anharmonic exciton-photon interaction due to phase-space filling of excitons are taken into account. It is shown that the exciton squeezing depends strongly on the exciton density in semiconductors and becomes smaller with increasing the latter. (author). 16 refs, 2 figs

  17. Faster Simulation Methods for the Non-Stationary Random Vibrations of Non-Linear MDOF Systems

    DEFF Research Database (Denmark)

    Askar, A.; Köylüoglu, H. U.; Nielsen, Søren R. K.

    subject to nonstationary Gaussian white noise excitation, as an alternative to conventional direct simulation methods. These alternative simulation procedures rely on an assumption of local Gaussianity during each time step. This assumption is tantamount to various linearizations of the equations....... Such a treatment offers higher rates of convergence, faster speed and higher accuracy. These procedures are compared to the direct Monte Carlo simulation procedure, which uses a fourth order Runge-Kutta scheme with the white noise process approximated by a broad band Ruiz-Penzien broken line process...

  18. Faster Simulation Methods for the Nonstationary Random Vibrations of Non-linear MDOF Systems

    DEFF Research Database (Denmark)

    Askar, A.; Köylüo, U.; Nielsen, Søren R.K.

    1996-01-01

    subject to nonstationary Gaussian white noise excitation, as an alternative to conventional direct simulation methods. These alternative simulation procedures rely on an assumption of local Gaussianity during each time step. This assumption is tantamount to various linearizations of the equations....... Such a treatment offers higher rates of convergence, faster speed and higher accuracy. These procedures are compared to the direct Monte Carlo simulation procedure, which uses a fourth order Runge-Kutta scheme with the white noise process approximated by a broad band Ruiz-Penzien broken line process...

  19. Features of exciton dynamics in molecular nanoclusters (J-aggregates): Exciton self-trapping (Review Article)

    Science.gov (United States)

    Malyukin, Yu. V.; Sorokin, A. V.; Semynozhenko, V. P.

    2016-06-01

    We present thoroughly analyzed experimental results that demonstrate the anomalous manifestation of the exciton self-trapping effect, which is already well-known in bulk crystals, in ordered molecular nanoclusters called J-aggregates. Weakly-coupled one-dimensional (1D) molecular chains are the main structural feature of J-aggregates, wherein the electron excitations are manifested as 1D Frenkel excitons. According to the continuum theory of Rashba-Toyozawa, J-aggregates can have only self-trapped excitons, because 1D excitons must adhere to barrier-free self-trapping at any exciton-phonon coupling constant g = ɛLR/2β, wherein ɛLR is the lattice relaxation energy, and 2β is the half-width of the exciton band. In contrast, very often only the luminescence of free, mobile excitons would manifest in experiments involving J-aggregates. Using the Urbach rule in order to analyze the low-frequency region of the low-temperature exciton absorption spectra has shown that J-aggregates can have both a weak (g 1) exciton-phonon coupling. Moreover, it is experimentally demonstrated that under certain conditions, the J-aggregate excited state can have both free and self-trapped excitons, i.e., we establish the existence of a self-trapping barrier for 1D Frenkel excitons. We demonstrate and analyze the reasons behind the anomalous existence of both free and self-trapped excitons in J-aggregates, and demonstrate how exciton-self trapping efficiency can be managed in J-aggregates by varying the values of g, which is fundamentally impossible in bulk crystals. We discuss how the exciton-self trapping phenomenon can be used as an alternate interpretation of the wide band emission of some J-aggregates, which has thus far been explained by the strongly localized exciton model.

  20. Vibrational investigation of calcium-silicate cements for endodontics in simulated body fluids

    Science.gov (United States)

    Taddei, Paola; Modena, Enrico; Tinti, Anna; Siboni, Francesco; Prati, Carlo; Gandolfi, Maria Giovanna

    2011-05-01

    Calcium-silicate MTA (Mineral Trioxide Aggregate) cements have been recently developed for oral and endodontic surgery. This study was aimed at investigating commercial (White ProRoot MTA, White and Grey MTA-Angelus) and experimental (wTC-Bi) accelerated calcium-silicate cements with regards to composition, hydration products and bioactivity upon incubation for 1-28 days at 37 °C, in Dulbecco's Phosphate Buffered Saline (DPBS). Deposits on the surface of the cements and the composition changes during incubation were investigated by micro-Raman and ATR/FT-IR spectroscopy, and pH measurements. Vibrational techniques disclosed significant differences in composition among the unhydrated cements, which significantly affected the bioactivity as well as pH, and hydration products of the cements. After one day in DPBS, all the cements were covered by a more or less homogeneous layer of B-type carbonated apatite. The experimental cement maintained a high bioactivity, only slightly lower than the other cements and appears a valid alternative to commercial cements, in view of its adequate setting time properties. The bioactivity represents an essential property to favour bone healing and makes the calcium-silicate cements the gold standard materials for root-apical endodontic surgery.

  1. CFD Simulation of Vortex Induced Vibration for FRP Composite Riser with Different Modeling Methods

    Directory of Open Access Journals (Sweden)

    Chunguang Wang

    2018-04-01

    Full Text Available Steel risers are widely used in offshore oil and gas industry. However, the production capacity and depths are limited due to their extreme weight and poor fatigue and corrosion resistance. Nowadays, it is confirmed that fiber reinforced polymer (FRP composite risers have apparent advantages over steel risers. However, the study of vortex induced vibration (VIV for composite risers is rarely involved. Three different risers (one steel riser and two composite risers were compared for their VIV characteristics. The effects of 2D and 3D models and fluid–structure interaction (FSI were considered. The models of composite risers are established by effective modulus method (EMM and layered-structure method (LSM. It is found that 2D model are only suitable for ideal condition, while, for real situation, 3D model with FSI has to be considered. The results show that the displacements of the FRP composite risers are significantly larger than those of the steel riser, while the stresses are reversed. In addition, the distributions of the displacements and stresses depend on the geometries, material properties, top-tension force, constraints, etc. In addition, it is obvious that EMM are suitable to study the global working condition while LSM can be utilized to obtain the results in every single composite layer.

  2. Spin-dependent exciton-exciton interaction potential in two- and three-dimensional structure semiconductors under excitation

    International Nuclear Information System (INIS)

    Nguyen Ba An; Hoang Ngoc Cam; Nguyen Trung Dan

    1990-08-01

    Analytical expressions of the exciton-exciton interaction potentials have been approximately derived in both 2D and 3D structure materials exhibiting explicit dependences on exciton momentum difference, momentum transfer, electron-hole effective mass ratio and two-exciton state spin symmetry. Numerical calculations show that the character of the exciton-exciton interaction is determined by all of the above-mentioned dependences. (author). 32 refs, 7 figs

  3. Atomistic absorption spectra and non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model

    Science.gov (United States)

    Glowacki, David

    Recently, we outlined an efficient multi-tiered parallel excitonic framework that utilizes time dependent density functional theory (TDDFT) to calculate ground/excited state energies and gradients of large supramolecular complexes in atomistic detail. In this paper, we apply our ab initioexciton framework to the 27 coupled bacteriocholorophyll-a chromophores which make up the LH2 complex, using it to compute linear absorption spectra and short-time, on-the-fly nonadiabatic surface-hopping (SH) dynamics of electronically excited LH2. Our ab initio exciton model includes two key parameters whose values are determined by fitting to experiment: d, which is added to the diagonal elements, corrects for the error in TDDFT vertical excitation energies on a single chromophore; and e, which occurs on the off-diagonal matrix elements, describes the average dielectric screening of the inter-chromophore transition-dipole coupling. Using snapshots obtained from equilibrium molecular dynamics simulations (MD) of LH2, best-fit values of both d and e were obtained by fitting to the thermally broadened experimental absorption spectrum within the Frank-Condon approximation, providing a linear absorption spectrum that agrees reasonably well with the experimental observations. We follow the nonadiabatic dynamics using surface hopping to construct time-resolved visualizations of the EET dynamics in the sub-picosecond regime following photoexcitation. This provides some qualitative insight into the excitonic energy transfer (EET) that results from atomically resolved vibrational fluctuations of the chromophores. The dynamical picture that emerges is one of rapidly fluctuating eigenstates that are delocalized over multiple chromophores and undergo frequent crossing on a femtosecond timescale as a result of the underlying chromophore vibrational dynamics. The eigenstate fluctuations arise from disorder in both the diagonal chromophore site energies and the off-diagonal inter

  4. Force Limiting Vibration Tests Evaluated from both Ground Acoustic Tests and FEM Simulations of a Flight Like Vehicle System Assembly

    Science.gov (United States)

    Smith, Andrew; LaVerde, Bruce; Waldon, James; Hunt, Ron

    2014-01-01

    Marshall Space Flight Center has conducted a series of ground acoustic tests with the dual goals of informing analytical judgment, and validating analytical methods when estimating vibroacoustic responses of launch vehicle subsystems. The process of repeatedly correlating finite element-simulated responses with test-measured responses has assisted in the development of best practices for modeling and post-processing. In recent work, force transducers were integrated to measure interface forces at the base of avionics box equipment. Other force data was indirectly measured using strain gauges. The combination of these direct and indirect force measurements has been used to support and illustrate the advantages of implementing the Force Limiting approach for equipment qualification tests. The comparison of force response from integrated system level tests to measurements at the same locations during component level vibration tests provides an excellent illustration. A second comparison of the measured response cases from the system level acoustic tests to finite element simulations has also produced some principles for assessing the suitability of Finite Element Models (FEMs) for making vibroacoustics estimates. The results indicate that when FEM models are employed to guide force limiting choices, they should include sufficient detail to represent the apparent mass of the system in the frequency range of interest.

  5. Resonant transfer of excitons and quantum computation

    International Nuclear Information System (INIS)

    Lovett, Brendon W.; Reina, John H.; Nazir, Ahsan; Kothari, Beeneet; Briggs, G. Andrew D.

    2003-01-01

    Resonant energy transfer mechanisms have been observed in the sensitized luminescence of solids, and in quantum dots, molecular nanostructures, and photosynthetic organisms. We demonstrate that such mechanisms, together with the exciton-exciton binding energy shift typical of these nanostructures, can be used to perform universal quantum logic and generate quantum entanglement

  6. Radiative recombination of excitons in amorphous semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Jai [School of Engineering and Logistics, Faculty Technology, B-41, Charles Darwin University, Darwin, NT 0909 (Australia)]. E-mail: jai.singh@cdu.edu.au

    2005-04-15

    A theory for calculating the radiative lifetime of excitons in amorphous semiconductors is presented. Four possibilities of excitonic radiative recombination are considered and the corresponding rates are derived at thermal equilibrium. The radiative lifetime is calculated from the inverse of the maximum rate for all the four possibilities. Results agree very well with experiments.

  7. Two-photon transitions to exciton polaritons

    International Nuclear Information System (INIS)

    Hassan, A.R.

    1979-08-01

    A semiclassical theory for the creation of excitonic polariton states by two-photon absorption, via an intermediate exciton state, is given. A band model has been introduced which gives the dominant contribution to this process. A numerical calculation is found to be in good agreement with a recent observation in CuCl. (author)

  8. Radiative recombination of excitons in amorphous semiconductors

    International Nuclear Information System (INIS)

    Singh, Jai

    2005-01-01

    A theory for calculating the radiative lifetime of excitons in amorphous semiconductors is presented. Four possibilities of excitonic radiative recombination are considered and the corresponding rates are derived at thermal equilibrium. The radiative lifetime is calculated from the inverse of the maximum rate for all the four possibilities. Results agree very well with experiments

  9. Vibration Control of a High-Speed Precision Servo Numerically Controlled Punching Press: Multidomain Simulation and Experiments

    Directory of Open Access Journals (Sweden)

    Teng Xu

    2017-01-01

    Full Text Available A three-degree-of-freedom mathematical vibration model of a high-speed punching press was developed in order to explore the vibration modes of the punching press. A multidomain model of the punching press was established to predict the kinematic state during different conditions, as well as the effects of load fluctuation on the motor speed. Experimental measurements of the acceleration of the punching press were carried out. The results comparison reveals that the multidomain model is consistent with the vibration model and the experimental measurements. Modal analysis and structure modification of the punching press were conducted. The foundation at the base of the punching press was improved against excess of vibration. The effects of the dimensions of the foundation on the vibration were discussed with the aid of the multidomain model. Finally, proper foundation design, able to reduce the vibration, was obtained.

  10. Characterization and Simulation of Transient Vibrations Using Band Limited Temporal Moments

    Directory of Open Access Journals (Sweden)

    David O. Smallwood

    1994-01-01

    Full Text Available A method is described to characterize shocks (transient time histories in terms of the Fourier energy spectrum and the temporal moments of the shock passed through a contiguous set of band pass filters. The product model is then used to generate of a random process as simulations that in the mean will have the same energy and moments as the characterization of the transient event.

  11. Probing Exciton Diffusion and Dissociation in Single-Walled Carbon Nanotube-C60 Heterojunctions

    Energy Technology Data Exchange (ETDEWEB)

    Dowgiallo, Anne-Marie; Mistry, Kevin S.; Johnson, Justin C.; Reid, Obadiah G.; Blackburn, Jeffrey L.

    2016-05-19

    The efficiency of thin-film organic photovoltaic (OPV) devices relies heavily upon the transport of excitons to type-II heterojunction interfaces, where there is sufficient driving force for exciton dissociation and ultimately the formation of charge carriers. Semiconducting single-walled carbon nanotubes (SWCNTs) are strong near-infrared absorbers that form type-II heterojunctions with fullerenes such as C60. Although the efficiencies of SWCNT-fullerene OPV devices have climbed over the past few years, questions remain regarding the fundamental factors that currently limit their performance. In this study, we determine the exciton diffusion length in the C60 layer of SWCNT-C60 bilayer active layers using femtosecond transient absorption measurements. We demonstrate that hole transfer from photoexcited C60 molecules to SWCNTs can be tracked by the growth of narrow spectroscopic signatures of holes in the SWCNT 'reporter layer'. In bilayers with thick C60 layers, the SWCNT charge-related signatures display a slow rise over hundreds of picoseconds, reflecting exciton diffusion through the C60 layer to the interface. A model based on exciton diffusion with a Beer-Lambert excitation profile, as well as Monte Carlo simulations, gives the best fit to the data as a function of C60 layer thickness using an exciton diffusion length of approximately 5 nm.

  12. Quantum vibrational polarons: Crystalline acetanilide revisited

    Science.gov (United States)

    Hamm, Peter; Edler, Julian

    2006-03-01

    We discuss a refined theoretical description of the peculiar spectroscopy of crystalline acetanilide (ACN). Acetanilide is a molecular crystal with quasi-one-dimensional chains of hydrogen-bonded units, which is often regarded as a model system for the vibrational spectroscopy of proteins. In linear spectroscopy, the CO stretching (amide I) band of ACN features a double-peak structure, the lower of which shows a pronounced temperature dependence which has been discussed in the context of polaron theory. In nonlinear spectroscopy, both of these peaks respond distinctly differently. The lower-frequency band exhibits the anharmonicity expected from polaron theory, while the higher-frequency band responds as if it were quasiharmonic. We have recently related the response of the higher-frequency band to that of a free exciton [J. Edler and P. Hamm, J. Chem. Phys. 117, 2415 (2002)]. However, as discussed in the present paper, the free exciton is not an eigenstate of the full quantum version of the Holstein polaron Hamiltonian, which is commonly used to describe these phenomena. In order to resolve this issue, we present a numerically exact solution of the Holstein polaron Hamiltonian in one dimension (1D) and 3D. In 1D, we find that the commonly used displaced oscillator picture remains qualitatively correct, even for relatively large exciton coupling. However, the result is not in agreement with the experiment, as it fails to explain the free-exciton band. In contrast, when taking into account the 3D nature of crystalline acetanilide, certain parameter regimes exist where the displaced oscillator picture breaks down and states appear in the spectrum that indeed exhibit the characteristics of a free exciton. The appearance of these states is a speciality of vibrational polarons, whose source of exciton coupling is transition dipole coupling which is expected to have opposite signs of interchain and intrachain coupling.

  13. Frenkel-Charge-Transfer exciton intermixing theory for molecular crystals with two isolated Frenkel exciton states.

    Science.gov (United States)

    Bondarev, Igor; Popescu, Adrian

    We develop an analytical theory for the intra-intermolecular exciton intermixing in periodic 1D chains of planar organic molecules with two isolated low-lying Frenkel exciton states, typical of copper phthalocyanine (CuPc) and other transition metal phthalocyanine molecules. We formulate the Hamiltonian and use the exact Bogoliubov diagonalization procedure to derive the eigen energy spectrum for the two lowest intramolecular Frenkel excitons coupled to the intermolecular charge transfer (CT) exciton state. By comparing our theoretical spectrum with available experimental CuPc absorption data, we obtain the parameters of the Frenkel-CT exciton intermixing in CuPc thin films. The two Frenkel exciton states here are spaced apart by 0.26 eV, and the charge transfer exciton state is 50 meV above the lowest Frenkel exciton. Both Frenkel excitons are strongly mixed with the CT exciton, showing the coupling constant 0.17 eV in agreement with earlier electron transport experiments. Our results can be used for the proper interpretation of the physical properties of crystalline phthalocyanines. DOE-DE-SC0007117 (I.B.), UNC-GA ROI Grant (A.P.).

  14. Exciton correlations and input–output relations in non-equilibrium exciton superfluids

    International Nuclear Information System (INIS)

    Ye, Jinwu; Sun, Fadi; Yu, Yi-Xiang; Liu, Wuming

    2013-01-01

    The photoluminescence (PL) measurements on photons and the transport measurements on excitons are the two types of independent and complementary detection tools to search for possible exciton superfluids in electron–hole semi-conductor bilayer systems. In fact, it was believed that the transport measurements can provide more direct evidences on superfluids than the spectroscopic measurements. It is important to establish the relations between the two kinds of measurements. In this paper, using quantum Heisenberg–Langevin equations, we establish such a connection by calculating various exciton correlation functions in the putative exciton superfluids. These correlation functions include both normal and anomalous greater, lesser, advanced, retarded, and time-ordered exciton Green functions and also various two exciton correlation functions. We also evaluate the corresponding normal and anomalous spectral weights and the Keldysh distribution functions. We stress the violations of the fluctuation and dissipation theorem among these various exciton correlation functions in the non-equilibrium exciton superfluids. We also explore the input–output relations between various exciton correlation functions and those of emitted photons such as the angle resolved photon power spectrum, phase sensitive two mode squeezing spectrum and two photon correlations. Applications to possible superfluids in the exciton–polariton systems are also mentioned. For a comparison, using conventional imaginary time formalism, we also calculate all the exciton correlation functions in an equilibrium dissipative exciton superfluid in the electron–electron coupled semi-conductor bilayers at the quantum Hall regime at the total filling factor ν T =1. We stress the analogies and also important differences between the correlations functions in the two exciton superfluid systems. - Highlights: ► Establish the relations between photoluminescence and transport measurements. ► Stress the

  15. Instantaneous Rayleigh scattering from excitons localized in monolayer islands

    DEFF Research Database (Denmark)

    Langbein, Wolfgang; Leosson, Kristjan; Jensen, Jacob Riis

    2000-01-01

    We show that the initial dynamics of Rayleigh scattering from excitons in quantum wells can be either instantaneous or delayed, depending on the exciton ensemble studied. For excitation of the entire exciton resonance, a finite rise time given by the inverse inhomogeneous broadening: of the exciton...

  16. Improved Laser Vibration Radar

    National Research Council Canada - National Science Library

    Hilaire, Pierre

    1998-01-01

    .... This thesis reconfigured an existing CO2 laboratory laser radar system that is capable of measuring the frequencies of vibration of a simulated target into a more compact and rugged form for field testing...

  17. Design, Simulation, and Optimization of a Frequency-Tunable Vibration Energy Harvester That Uses a Magnetorheological Elastomer

    Directory of Open Access Journals (Sweden)

    Wan Sun

    2015-01-01

    Full Text Available This study focuses on the design, simulation, and load power optimization for the development of a novel frequency-tunable electromagnetic vibrational energy harvester. The unique characteristic of a magnetorheological elastomer (MRE is utilized, that the shear modulus can be varied by changing the strength of an applied magnetic field. The electromagnetic energy harvester is fabricated, the external electric circuit is connected, and the performance is evaluated through a series of experiments. The resonant frequencies and the parasitic damping constant are measured experimentally for different tuning magnet gap distances, which validate the application of the MRE to the development of a frequency-tunable energy harvesting system. The harvested energy of the system is measured by the voltage across the load resistor. The maximum load power is attained by optimizing the external circuit connected to the coil system. The analysis results are presented for harvesting the maximum load power in terms of the coil parameters and external circuit resistance. The optimality of the load resistance is validated by comparing the analytical results with experimental results. The optimal load resistances under various resonance frequencies are also found for the design and composition of the optimal energy harvesting circuit of the energy harvester system.

  18. Numerical simulations of the dynamic of steel catenary riser under the influence of VIV-Vortex-Induced Vibration

    Energy Technology Data Exchange (ETDEWEB)

    Tsukada, Raphael I.; Morooka, Celso K. [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Faculdade de Engenharia Mecanica; Franciss, Ricardo; Matt, Cyntia G.C. [Petroleo Brasileiro S.A. (PETROBRAS), Rio de Janeiro, RJ (Brazil). Centro de Pesquisas (CENPES)

    2009-07-01

    Hydrocarbon discoveries in ultra deep waters and the recent pre-salt deep carbonate reservoirs along the Brazilian coast demand further technological development in order to exploit these resources. These developments usually require new concepts for offshore sea surface structures and subsea systems for the petroleum and gas production, which means cost effective solutions that provides higher operational safety on drilling and production operations. In this scenario, the effect of the natural phenomenon of Vortex-Induced Vibration (VIV) on risers is one of the concerns for its design due to the tendency of VIV to increase levels of stresses in the riser structure. Therefore the correct prediction of stresses and displacements due to VIV is of great importance for designing riser systems. The present work presents new developments based on previous results for VIV in vertical risers extended to curved risers such as steel catenary risers (SCR). Numerical simulations have been performed in time domain, and experimental results from model tests with a scaled SCR in a towing tank have been used to evaluate the proposed developments. Finally, the conclusions from the analysis of the results bring very promising results. (author)

  19. Parallel CFD simulation of flow in a 3D model of vibrating human vocal folds

    Czech Academy of Sciences Publication Activity Database

    Šidlof, Petr; Horáček, Jaromír; Řidký, V.

    2013-01-01

    Roč. 80, č. 1 (2013), s. 290-300 ISSN 0045-7930 R&D Projects: GA ČR(CZ) GAP101/11/0207 Institutional research plan: CEZ:AV0Z20760514 Keywords : numerical simulation * vocal folds * glottal airflow * inite volume method * parallel CFD Subject RIV: BI - Acoustics Impact factor: 1.532, year: 2013 http://www.sciencedirect.com/science?_ob=ArticleListURL&_method=list&_ArticleListID=-268060849&_sort=r&_st=13&view=c&_acct=C000034318&_version=1&_urlVersion=0&_userid=640952&md5=7c5b5539857ee9a02af5e690585b3126&searchtype=a

  20. Dark excitons in transition metal dichalcogenides

    Science.gov (United States)

    Malic, Ermin; Selig, Malte; Feierabend, Maja; Brem, Samuel; Christiansen, Dominik; Wendler, Florian; Knorr, Andreas; Berghäuser, Gunnar

    2018-01-01

    Monolayer transition metal dichalcogenides (TMDs) exhibit a remarkably strong Coulomb interaction that manifests in tightly bound excitons. Due to the complex electronic band structure exhibiting several spin-split valleys in the conduction and valence band, dark excitonic states can be formed. They are inaccessibly by light due to the required spin-flip and/or momentum transfer. The relative position of these dark states with respect to the optically accessible bright excitons has a crucial impact on the emission efficiency of these materials and thus on their technological potential. Based on the solution of the Wannier equation, we present the excitonic landscape of the most studied TMD materials including the spectral position of momentum- and spin-forbidden excitonic states. We show that the knowledge of the electronic dispersion does not allow to conclude about the nature of the material's band gap since excitonic effects can give rise to significant changes. Furthermore, we reveal that an exponentially reduced photoluminescence yield does not necessarily reflect a transition from a direct to a nondirect gap material, but can be ascribed in most cases to a change of the relative spectral distance between bright and dark excitonic states.

  1. Excitonic Effects in Methylammonium Lead Halide Perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Beard, Matthew C [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Chen, Xihan [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Lu, Haipeng [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Yang, Ye [National Renewable Energy Laboratory (NREL), Golden, CO (United States)

    2018-05-01

    The exciton binding energy in methylammonium lead iodide (MAPbI3) is about 10 meV, around 1/3 of the available thermal energy (kBT ~ 26 meV) at room temperature. Thus, exciton populations are not stable at room temperature at moderate photoexcited carrier densities. However, excitonic resonances dominate the absorption onset. Furthermore, these resonances determine the transient absorbance and transient reflectance spectra. The exciton binding energy is a reflection of the Coulomb interaction energy between photoexcited electrons and holes. As such, it serves as a marker for the strength of electron/hole interactions and impacts a variety of phenomena, such as, absorption, radiative recombination, and Auger recombination. In this Perspective, we discuss the role of excitons and excitonic resonances in the optical properties of lead-halide perovskite semiconductors. Finally, we discuss how the strong light-matter interactions induce an optical stark effect splitting the doubly spin degenerate ground exciton states and are easily observed at room temperature.

  2. Experimental investigations and finite element simulation of cutting heat in vibrational and conventional drilling of cortical bone.

    Science.gov (United States)

    Wang, Yu; Cao, Meng; Zhao, Xiangrui; Zhu, Gang; McClean, Colin; Zhao, Yuanyuan; Fan, Yubo

    2014-11-01

    Heat generated during bone drilling could cause irreversible thermal damage, which can lead to bone necrosis or even osteomyelitis. In this study, vibrational drilling was applied to fresh bovine bones to investigate the cutting heat in comparison with conventional drilling through experimental investigation and finite element analysis (FEA). The influence of vibrational frequency and amplitude on cutting heat generation and conduction were studied. The experimental results showed that, compared with the conventional drilling, vibrational drilling could significantly reduce the cutting temperature in drilling of cortical bone (P<0.05): the cutting temperature tended to decrease with increasing vibrational frequency and amplitude. The FEA results also showed that the vibrational amplitude holds a significant effect on the cutting heat conduction. Copyright © 2014 IPEM. Published by Elsevier Ltd. All rights reserved.

  3. Experimentally validated structural vibration frequencies’ prediction from frictional temperature signatures using numerical simulation: A case of laced cantilever beam-like structures

    Directory of Open Access Journals (Sweden)

    Stephen M Talai

    2016-12-01

    Full Text Available This article pertains to the prediction of structural vibration frequencies from frictional temperature evolution through numerical simulation. To achieve this, a finite element analysis was carried on AISI 304 steel cantilever beam-like structures coupled with a lacing wire using the commercial software ABAQUS/CAE. The coupled temperature–displacement transient analysis simulated the frictional thermal generation. Furthermore, an experimental analysis was carried out with infrared cameras capturing the interfacial thermal images while the beams were subjected to forced excitation, thus validating the finite element analysis results. The analysed vibration frequencies using a MATLAB fast Fourier transform algorithm confirmed the validity of its prediction from the frictional temperature time domain waveform. This finding has a great significance to the mechanical and aerospace engineering communities for the effective structural health monitoring of dynamic structures online using infrared thermography, thus reducing the downtime and maintenance cost, leading to increased efficiency.

  4. Excitons in the Fractional Quantum Hall Effect

    Science.gov (United States)

    Laughlin, R. B.

    1984-09-01

    Quasiparticles of charge 1/m in the Fractional Quantum Hall Effect form excitons, which are collective excitations physically similar to the transverse magnetoplasma oscillations of a Wigner crystal. A variational exciton wavefunction which shows explicitly that the magnetic length is effectively longer for quasiparticles than for electrons is proposed. This wavefunction is used to estimate the dispersion relation of these excitons and the matrix elements to generate them optically out of the ground state. These quantities are then used to describe a type of nonlinear conductivity which may occur in these systems when they are relatively clean.

  5. Switching Exciton Pulses Through Conical Intersections

    Science.gov (United States)

    Leonhardt, K.; Wüster, S.; Rost, J. M.

    2014-11-01

    Exciton pulses transport excitation and entanglement adiabatically through Rydberg aggregates, assemblies of highly excited light atoms, which are set into directed motion by resonant dipole-dipole interaction. Here, we demonstrate the coherent splitting of such pulses as well as the spatial segregation of electronic excitation and atomic motion. Both mechanisms exploit local nonadiabatic effects at a conical intersection, turning them from a decoherence source into an asset. The intersection provides a sensitive knob controlling the propagation direction and coherence properties of exciton pulses. The fundamental ideas discussed here have general implications for excitons on a dynamic network.

  6. Exciton-relaxation dynamics in lead halides

    International Nuclear Information System (INIS)

    Iwanaga, Masanobu; Hayashi, Tetsusuke

    2003-01-01

    We survey recent comprehensive studies of exciton relaxation in the crystals of lead halides. The luminescence and electron-spin-resonance studies have revealed that excitons in lead bromide spontaneously dissociate and both electrons and holes get self-trapped individually. Similar relaxation has been also clarified in lead chloride. The electron-hole separation is ascribed to repulsive correlation via acoustic phonons. Besides, on the basis of the temperature profiles of self-trapped states, we discuss the origin of luminescence components which are mainly induced under one-photon excitation into the exciton band in lead fluoride, lead chloride, and lead bromide

  7. Optical nutation in the exciton range of spectrum

    International Nuclear Information System (INIS)

    Khadzhi, P. I.; Vasiliev, V. V.

    2013-01-01

    Optical nutation in the exciton range of spectrum is studied in the mean field approximation taking into account exciton-photon and elastic exciton-exciton interactions. It is shown that the features of nutation development are determined by the initial exciton and photon densities, the resonance detuning, the nonlinearity parameter, and the initial phase difference. For nonzero initial exciton and photon concentrations, three regimes of temporal evolution of excitons and photons exist: periodic conversion of excitons to photons and vice versa, aperiodic conversion of photons to excitons, and the rest regime. In the rest regime, the initial exciton and photon densities are nonzero and do not change with time. The oscillation amplitudes and periods of particle densities determined by the system parameters are found. The exciton self-trapping and photon trapping appearing in the system at threshold values of the nonlinearity parameter were predicted. As this parameter increases, the oscillation amplitudes of the exciton and photon densities sharply change at the critical value of the nonlinearity parameter. These two phenomena are shown to be caused by the elastic exciton-exciton interaction, resulting in the dynamic concentration shift of the exciton level

  8. Tailoring Quantum Dot Assemblies to Extend Exciton Coherence Times and Improve Exciton Transport

    Science.gov (United States)

    Seward, Kenton; Lin, Zhibin; Lusk, Mark

    2012-02-01

    The motion of excitons through nanostructured assemblies plays a central role in a wide range of physical phenomena including quantum computing, molecular electronics, photosynthetic processes, excitonic transistors and light emitting diodes. All of these technologies are severely handicapped, though, by quasi-particle lifetimes on the order of a nanosecond. The movement of excitons must therefore be as efficient as possible in order to move excitons meaningful distances. This is problematic for assemblies of small Si quantum dots (QDs), where excitons quickly localize and entangle with dot phonon modes. Ensuing exciton transport is then characterized by a classical random walk reduced to very short distances because of efficient recombination. We use a combination of master equation (Haken-Strobl) formalism and density functional theory to estimate the rate of decoherence in Si QD assemblies and its impact on exciton mobility. Exciton-phonon coupling and Coulomb interactions are calculated as a function of dot size, spacing and termination to minimize the rate of intra-dot phonon entanglement. This extends the time over which more efficient exciton transport, characterized by partial coherence, can be maintained.

  9. Vibrational and vibronic coherences in the dynamics of the FMO complex

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiaomeng; Kühn, Oliver, E-mail: oliver.kuehn@uni-rostock.de

    2016-12-20

    The coupled exciton–vibrational dynamics of a seven site Frenkel exciton model of the Fenna–Matthews–Olson (FMO) complex is investigated using a Quantum Master Equation approach. Thereby, one vibrational mode per monomer is treated explicitly as being part of the relevant system. Emphasis is put on the comparison of this model with that of a purely excitonic relevant system. Further, the effects of two different approximations to the exciton–vibrational basis are investigated, namely the one- and two-particle description. Analysis of the vibronic and vibrational density matrix in the site basis points to the importance of on- and inter-site coherences for the exciton transfer. Here, one- and two-particle approximations give rise to qualitatively different results.

  10. Molecular dynamics and simulations study on the vibrational and electronic solvatochromism of benzophenone

    Energy Technology Data Exchange (ETDEWEB)

    Ravi Kumar, Venkatraman; Umapathy, Siva, E-mail: umapathy@ipc.iisc.ernet.in, E-mail: chandra@bii.a-star.edu.sg [Inorganic and Physical Chemistry Department, Indian Institute of Science, Bangalore 560012 (India); Verma, Chandra, E-mail: umapathy@ipc.iisc.ernet.in, E-mail: chandra@bii.a-star.edu.sg [Bioinformatics Institute - A*STAR, 30 Biopolis Street, # 07-01 Matrix, Singapore 138671 (Singapore); School of Biological Sciences, Nanyang Technological University, 60 Nanyang Drive, Singapore 637551 (Singapore); Department of Biological Sciences, National University of Singapore, 14 Science Drive 4, Singapore 117543 (Singapore)

    2016-02-14

    Solvent plays a key role in diverse physico-chemical and biological processes. Therefore, understanding solute-solvent interactions at the molecular level of detail is of utmost importance. A comprehensive solvatochromic analysis of benzophenone (Bzp) was carried out in various solvents using Raman and electronic spectroscopy, in conjunction with Density Functional Theory (DFT) calculations of supramolecular solute-solvent clusters generated using classical Molecular Dynamics Simulations (c-MDSs). The >C=O stretching frequency undergoes a bathochromic shift with solvent polarity. Interestingly, in protic solvents this peak appears as a doublet: c-MDS and ad hoc explicit solvent ab initio calculations suggest that the lower and higher frequency peaks are associated with the hydrogen bonded and dangling carbonyl group of Bzp, respectively. Additionally, the dangling carbonyl in methanol (MeOH) solvent is 4 cm{sup −1} blue-shifted relative to acetonitrile solvent, despite their similar dipolarity/polarizability. This suggests that the cybotactic region of the dangling carbonyl group in MeOH is very different from its bulk solvent structure. Therefore, we propose that this blue-shift of the dangling carbonyl originates in the hydrophobic solvation shell around it resulting from extended hydrogen bonding network of the protic solvents. Furthermore, the 1{sup 1}nπ{sup ∗} (band I) and 1{sup 1}ππ{sup ∗} (band II) electronic transitions show a hypsochromic and bathochromic shift, respectively. In particular, these shifts in protic solvents are due to differences in their excited state-hydrogen bonding mechanisms. Additionally, a linear relationship is obtained for band I and the >C=O stretching frequency (cm{sup −1}), which suggests that the different excitation wavelengths in band I correspond to different solvation states. Therefore, we hypothesize that the variation in excitation wavelengths in band I could arise from different solvation states leading to

  11. Molecular dynamics simulation of local structure and vibrational spectrum of uranyl (UO2)2+ in vitreous B2O3

    International Nuclear Information System (INIS)

    Zhuang, Z.-H.; Liu, G. K.; Beitz, J. V.

    2000-01-01

    Laser spectroscopic and extended X-ray absorption fine structure (EXAFS) spectra have shown that uranium in B 2 O 3 glass matrix forms uranyl in the electronic configuration of (UO 2 ) 2+ ,but its surrounding structure is not well known. Understanding of uranyl local structure, ion-ligand interaction, and chemical stability on the nanometer scale in glasses is essential in management of long-term performance of high-level nuclear wastes after disposal in a geologic repository. In the present work, the structure, phonon density of states, and vibrational spectrum of vitreous B 2 O 3 and the surrounding environment that contains a uranyl ion have been studied using a molecular dynamics (MD) simulation method that utilizes the Born-Mayer-Huggins and Coulomb pair potentials and the Stillinger-Weber three-body potential. A system of 406 ions was considered in our calculation. Simulation of a thermal quenching from 3000 K to 300 K was performed to generate a uniform and equilibrium model glass matrix before structure configuration and vibrational frequencies were obtained from the system. The structure of the simulated glass is in agreement with that reported by Krogh-Moe and Mozzi et al. The characteristic network of planar boroxol (B 3 O 6 ) rings is evident in the simulated system. A configuration of a U 6+ cation in the vitreous B 2 O 3 matrix is shown in Fig. 1. It is shown that a nearly linear (UO 2 ) 2+ uranyl ion is coordinated by four equatorial oxygen anions in an approximately planar arrangement. The U-O bond length is approximately 0.178 nm for the axial oxygen and 0.254 nm for the equatorial oxygen, which is in good agreement with the U-O distances obtained from fitting EXAFS spectra. Based on the simulated model structure, the uranyl vibrational spectrum is simulated and compared with experimental results obtained using site-selective fluorescence line narrowing (FLN) techniques

  12. PbSe Nanocrystal Excitonic Solar Cells

    KAUST Repository

    Choi, Joshua J.; Lim, Yee-Fun; Santiago-Berrios, Mitk’ El B.; Oh, Matthew; Hyun, Byung-Ryool; Sun, Liangfeng; Bartnik, Adam C.; Goedhart, Augusta; Malliaras, George G.; Abruña, Héctor D.; Wise, Frank W.; Hanrath, Tobias

    2009-01-01

    that Is distinct from previously reported Schottky devices and consistent with signatures of excitonic solar cells. Remarkably, despite the limitation of planar junction structure, and without film thickness optimization, the best performing device shows a 1-sun

  13. Excitons in van der Waals heterostructures

    DEFF Research Database (Denmark)

    Latini, Simone; Olsen, Thomas; Thygesen, Kristian Sommer

    2015-01-01

    The existence of strongly bound excitons is one of the hallmarks of the newly discovered atomically thin semiconductors. While it is understood that the large binding energy is mainly due to the weak dielectric screening in two dimensions, a systematic investigation of the role of screening on two......-dimensional (2D) excitons is still lacking. Here we provide a critical assessment of a widely used 2D hydrogenic exciton model, which assumes a dielectric function of the form epsilon(q) = 1 + 2 pi alpha q, and we develop a quasi-2D model with a much broader applicability. Within the quasi-2D picture, electrons...... exciton binding energies in both isolated and supported 2D materials. For isolated 2D materials, the quasi-2D treatment yields results almost identical to those of the strict 2D model, and both are in good agreement with ab initio many-body calculations. On the other hand, for more complex structures...

  14. Atomic lattice excitons: from condensates to crystals

    International Nuclear Information System (INIS)

    Kantian, A; Daley, A J; Toermae, P; Zoller, P

    2007-01-01

    We discuss atomic lattice excitons (ALEs), bound particle-hole pairs formed by fermionic atoms in two bands of an optical lattice. Such a system provides a clean set-up, with tunable masses and interactions, to study fundamental properties of excitons including exciton condensation. We also find that for a large effective mass ratio between particles and holes, effective long-range interactions can mediate the formation of an exciton crystal, for which superfluidity is suppressed. Using a combination of mean-field treatments, bosonized theory based on a Born-Oppenheimer approximation, and one-dimensional (1D) numerical computation, we discuss the properties of ALEs under varying conditions, and discuss in particular their preparation and measurement

  15. Atomic lattice excitons: from condensates to crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kantian, A [Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, A-6020 Innsbruck (Austria); Daley, A J [Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, A-6020 Innsbruck (Austria); Toermae, P [Nanoscience Center, Department of Physics, University of Jyvaeskylae, PO Box 35, FIN-40014 (Finland); Zoller, P [Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, A-6020 Innsbruck (Austria)

    2007-11-15

    We discuss atomic lattice excitons (ALEs), bound particle-hole pairs formed by fermionic atoms in two bands of an optical lattice. Such a system provides a clean set-up, with tunable masses and interactions, to study fundamental properties of excitons including exciton condensation. We also find that for a large effective mass ratio between particles and holes, effective long-range interactions can mediate the formation of an exciton crystal, for which superfluidity is suppressed. Using a combination of mean-field treatments, bosonized theory based on a Born-Oppenheimer approximation, and one-dimensional (1D) numerical computation, we discuss the properties of ALEs under varying conditions, and discuss in particular their preparation and measurement.

  16. Pentacene Excitons in Strong Electric Fields.

    Science.gov (United States)

    Kuhnke, Klaus; Turkowski, Volodymyr; Kabakchiev, Alexander; Lutz, Theresa; Rahman, Talat S; Kern, Klaus

    2018-02-05

    Electroluminescence spectroscopy of organic semiconductors in the junction of a scanning tunneling microscope (STM) provides access to the polarizability of neutral excited states in a well-characterized molecular geometry. We study the Stark shift of the self-trapped lowest singlet exciton at 1.6 eV in a pentacene nanocrystal. Combination of density functional theory (DFT) and time-dependent DFT (TDDFT) with experiment allows for assignment of the observation to a charge-transfer (CT) exciton. Its charge separation is perpendicular to the applied field, as the measured polarizability is moderate and the electric field in the STM junction is strong enough to dissociate a CT exciton polarized parallel to the applied field. The calculated electric-field-induced anisotropy of the exciton potential energy surface will also be of relevance to photovoltaic applications. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Triplet exciton diffusion in organic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Koehler, Anna [Department of Physics, University of Bayreuth (Germany)

    2010-07-01

    Efficient triplet exciton emission has allowed improved operation of organic light-emitting diodes (LEDs). To enhance the device performance, it is necessary to understand what governs the motion of triplet excitons through the organic semiconductor. We use a series of poly(p-phenylene)-type conjugated polymers and oligomers of variable degree of molecular distortion (i.e. polaron formation) and energetic disorder as model systems to study the Dexter-type triplet exciton diffusion in thin films. We show that triplet diffusion can be quantitatively described in the framework of a Holstein small polaron model (Marcus theory) that is extended to include contributions from energetic disorder. The model predicts a tunnelling process at low temperatures followed by a thermally activated hopping process above a transition temperature. In contrast to charge transfer, the activation energy required for triplet exciton transfer can be deduced from the optical spectra. We discuss the implications for device architecture.

  18. Terahertz field-induced ionization and perturbed free induction decay of excitons in bulk GaAs

    Science.gov (United States)

    Murotani, Yuta; Takayama, Masayuki; Sekiguchi, Fumiya; Kim, Changsu; Akiyama, Hidefumi; Shimano, Ryo

    2018-03-01

    We investigated the interaction between an intense terahertz (THz) pulse and excitons in bulk GaAs by using THz pump near-infrared (NIR) optical probe spectroscopy. We observed a clear spectral oscillation in the NIR transient absorption spectra at low temperature, which is interpreted as the THz pump-induced perturbed free induction decay (PFID) of the excitonic interband polarization. We performed a numerical simulation based on a microscopic theory and identified that the observed PFID signal originates from the THz field-induced ionization of excitons. Using a real-space representation of the excitonic wave function, we visualized how the ionization of an exciton proceeds under the intense single-cycle THz electric field. We also calculated the nonlinear susceptibility with the lowest-order perturbation theory assuming a weak THz pump, which showed a similar spectral feature with that obtained by the full treatment to field-induced ionization process. This coincidence is attributed to the fact that 1s-excitonic interband polarization is modified predominantly through interactions with the p-wave component of the excitonic wave function. A simple phenomenological expression of the PFID signal is presented to discuss effects of the THz pump pulse duration on the spectral oscillation.

  19. Exciton in type-II quantum dot

    Energy Technology Data Exchange (ETDEWEB)

    Sierra-Ortega, J; Escorcia, R A [Universidad del Magdalena, A. A. 731, Santa Marta (Colombia); Mikhailov, I D, E-mail: jsierraortega@gmail.co [Universidad Industrial de Santander, A. A. 678, Bucaramanga (Colombia)

    2009-05-01

    We study the quantum-size effect and the influence of the external magnetic field on the exciton ground state energy in the type-II InP quantum disk, lens and pyramid deposited on a wetting layer and embedded in a GaInP matrix. We show that the charge distribution over and below quantum dot and wetting layer induced by trapped exciton strongly depends on the quantum dot morphology and the strength of the magnetic field.

  20. Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase.

    Science.gov (United States)

    Rossi, Mariana; Liu, Hanchao; Paesani, Francesco; Bowman, Joel; Ceriotti, Michele

    2014-11-14

    Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these limitations can be traced down to two approaches: methods that treat a small subset of the degrees of freedom with rigorous quantum mechanics, considering the rest of the system as a static or classical environment, and methods that treat the whole system quantum mechanically, but using approximate dynamics. Here, we perform a systematic comparison between these two philosophies for the description of quantum effects in vibrational spectroscopy, taking the Embedded Local Monomer model and a mixed quantum-classical model as representatives of the first family of methods, and centroid molecular dynamics and thermostatted ring polymer molecular dynamics as examples of the latter. We use as benchmarks D2O doped with HOD and pure H2O at three distinct thermodynamic state points (ice Ih at 150 K, and the liquid at 300 K and 600 K), modeled with the simple q-TIP4P/F potential energy and dipole moment surfaces. With few exceptions the different techniques yield IR absorption frequencies that are consistent with one another within a few tens of cm(-1). Comparison with classical molecular dynamics demonstrates the importance of nuclear quantum effects up to the highest temperature, and a detailed discussion of the discrepancies between the various methods let us draw some (circumstantial) conclusions about the impact of the very different approximations that underlie them. Such cross validation between radically different approaches could indicate a way forward to further improve the state of the art in simulations of condensed-phase quantum dynamics.

  1. The self-trapping of anion excitons in alkali halides at elastic deformation

    International Nuclear Information System (INIS)

    Tulepbergenov, S.K.; Dzhumanov, S.; Spivak-Lavrov, I.F.; Shunkeev, K.Sh.

    2001-01-01

    The self-trapping of electronic excitations (EE) (excitons, holes and electrons) in alkali halides (AH), fluorides and oxides plays an important roles in luminescence and defect formation. Therein the specific features of self-trapping of EE in various materials are essentially different. In particular, the self-trapping of excitons in some AH (i.e. alkali iodides and bromides) occurs with overcoming of the potential barrier and in other AH (e.g. alkali fluorides and chlorides) such a barrier is absent. Here we develop the continuum theory of self-trapping of within the adiabatic approximation elastically stressed AH. In the continuum model of solids the functional of the total energy of are interacting exciton-phonon system in the deformed ionic crystal just as in the undeformed crystal depends on the dilation Δ(r) described by the deformation potential of acoustic phonon, the electrostatic potential φ[r) due to the lattice polarization at optical lattice vibrations and the wave function of exciton chosen for hydro statically and uniaxially stressed 3D crystals. The functionals of the total energy of the interfacing exciton-phonon system E{Δ(r),φ(r),ψ(r)} are minimized relative to Δ, φ and ψ for the cases of isotropic and anisotropic 3D crystals. As a result, we obtained the functionals depending on μ and determined their possible extremum. We have show that the linear deformations under the hydrostatic and uniaxial stress at 80 K lead to the decreasing of the self trapping barrier for exciton and to the increasing of the luminescence of self-trapped excitons (STE). While the nonlinear deformations under the such stress at 80 K lead to the increasing of the self-trapping barrier for excitons and to the decreasing at the STE luminescence in AH. At T=0 K the small hydrostatic and uniaxial pressures lead to the same effects. Further at hydrostatic and uniaxial compressions of AH the minimums of the adiabatic potentials of quasifree and STE are shifted to

  2. Excitons in Single-Walled Carbon Nanotubes and Their Dynamics

    Science.gov (United States)

    Amori, Amanda R.; Hou, Zhentao; Krauss, Todd D.

    2018-04-01

    Understanding exciton dynamics in single-walled carbon nanotubes (SWCNTs) is essential to unlocking the many potential applications of these materials. This review summarizes recent progress in understanding exciton photophysics and, in particular, exciton dynamics in SWCNTs. We outline the basic physical and electronic properties of SWCNTs, as well as bright and dark transitions within the framework of a strongly bound one-dimensional excitonic model. We discuss the many facets of ultrafast carrier dynamics in SWCNTs, including both single-exciton states (bright and dark) and multiple-exciton states. Photophysical properties that directly relate to excitons and their dynamics, including exciton diffusion lengths, chemical and structural defects, environmental effects, and photoluminescence photon statistics as observed through photon antibunching measurements, are also discussed. Finally, we identify a few key areas for advancing further research in the field of SWCNT excitons and photonics.

  3. Temperature-dependent conformations of exciton-coupled Cy3 dimers in double-stranded DNA

    Science.gov (United States)

    Kringle, Loni; Sawaya, Nicolas P. D.; Widom, Julia; Adams, Carson; Raymer, Michael G.; Aspuru-Guzik, Alán; Marcus, Andrew H.

    2018-02-01

    Understanding the properties of electronically interacting molecular chromophores, which involve internally coupled electronic-vibrational motions, is important to the spectroscopy of many biologically relevant systems. Here we apply linear absorption, circular dichroism, and two-dimensional fluorescence spectroscopy to study the polarized collective excitations of excitonically coupled cyanine dimers (Cy3)2 that are rigidly positioned within the opposing sugar-phosphate backbones of the double-stranded region of a double-stranded (ds)-single-stranded (ss) DNA fork construct. We show that the exciton-coupling strength of the (Cy3)2-DNA construct can be systematically varied with temperature below the ds-ss DNA denaturation transition. We interpret spectroscopic measurements in terms of the Holstein vibronic dimer model, from which we obtain information about the local conformation of the (Cy3)2 dimer, as well as the degree of static disorder experienced by the Cy3 monomer and the (Cy3)2 dimer probe locally within their respective DNA duplex environments. The properties of the (Cy3)2-DNA construct we determine suggest that it may be employed as a useful model system to test fundamental concepts of protein-DNA interactions and the role of electronic-vibrational coherence in electronic energy migration within exciton-coupled bio-molecular arrays.

  4. Energetic disorder and exciton states of individual molecular rings

    International Nuclear Information System (INIS)

    Herman, Pavel; Barvik, Ivan; Zapletal, David

    2006-01-01

    Exciton states in molecular rings (resembling, e.g. the B850 ring from LH2 complexes of purple bacterium Rhodopseudomonas acidophila) with strong intermolecular interaction are still a question of interest [V. Sundstrom, T. Pullerits, R. van Grondelle, J. Phys. Chem. B 103 (1999) 2327]. In our theoretical model we use the ring of two-level systems, simulating, e.g., the bacteriochlorophylls B850. The dynamical aspects in ensemble of rings are reflected in optical line shapes of electronic transitions. The observed linewidths reflect the combined influence of different types of static and dynamic disorder. To avoid the broadening of lines due to ensemble averaging one uses the single-molecule spectroscopy technique to obtain a fluorescence-excitation spectrum. For zero disorder the exciton manifold features two non-degenerate and eight pairwise degenerate states. In the presence of energetic disorder the degeneracy of the exciton states is lifted and oscillator strength is redistributed among the exciton states. A satisfactory understanding of the nature of static disorder in light-harvesting systems has not been reached [S. Jang, S.F. Dempster, R.J. Silbey, J. Phys. Chem. B 105 (2001) 6655]. In the local site basis, there can be present static disorder in both diagonal and off-diagonal Hamiltonian matrix elements. Silbey et al. [J. Phys. Chem. B 105 (2001) 6655] pointed out several questions: is former enough or the latter should be included as well? If both are considered, then there remains a question about whether they are independent or correlated. The distribution of the energetic separation E(k=+/-1) and relative orientation of the transition-dipole moments has been recently investigated [S. Jang, et al., J. Phys. Chem. B 105 (2001) 6655; C. Hofmann, T.J. Aartsma, J. Koehler, Chem. Phys. Lett. 395 (2004) 373]. In our present contribution we have extended such a type of investigation to four models of noncorrelated static disorder: (A) Gaussian disorder in the

  5. Ab initio calculation of a global potential, vibrational energies, and wave functions for HCN/HNC, and a simulation of the (A-tilde)-(X-tilde) emission spectrum

    Science.gov (United States)

    Bowman, Joel M.; Gazdy, Bela; Bentley, Joseph A.; Lee, Timothy J.; Dateo, Christopher E.

    1993-01-01

    A potential energy surface for the HCN/HNC system which is a fit to extensive, high-quality ab initio, coupled-cluster calculations is presented. All HCN and HNC states with energies below the energy of the first delocalized state are reported and characterized. Vibrational transition energies are compared with all available experimental data on HCN and HNC, including high CH-overtone states up to 23,063/cm. A simulation of the (A-tilde)-(X-tilde) stimulated emission pumping (SEP) spectrum is also reported, and the results are compared to experiment. Franck-Condon factors are reported for odd bending states of HCN, with one quantum of vibrational angular momentum, in order to compare with the recent assignment by Jonas et al. (1992), on the basis of axis-switching arguments of a number of previously unassigned states in the SEP spectrum.

  6. Excitonic spectrum of the ZnO/ZnMgO quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Bobrov, M. A., E-mail: largaseal@gmail.com; Toropov, A. A.; Ivanov, S. V. [Russian Academy of Sciences, Ioffe Physical Technical Institute (Russian Federation); El-Shaer, A.; Bakin, A.; Waag, A. [TU Braunschweig, Institute of Semiconductor Technology (Germany)

    2011-06-15

    Excitonic spectrum of the wurtzite ZnO/Zn{sub 1-x}Mg{sub x}O quantum wells with a width on the order of or larger than the Bohr radius of the exciton has been studied; the quantum wells have been grown by the method of molecular beam epitaxy (with plasma-assisted activation of oxygen) on substrates of sapphire (0001). Low-temperature (25 K) spectra of photoluminescence excitation (PLE) have been experimentally measured, making it possible to resolve the peaks of exciton absorption in the quantum well. The spectrum of excitons in the quantum well is theoretically determined as a result of numerical solution of the Schroedinger equation by the variational method. The value of elastic stresses in the structure (used in calculations) has been determined from theoretical simulation of measured spectra of optical reflection. A comparison of experimental data with the results of calculations makes it possible to relate the observed features in the PLE spectra to excitons, including the lower level of dimensional quantization for electrons and two first levels of holes for the A and B valence bands of the wurtzite crystal. The values of the electron and hole masses in ZnO are refined, and the value of the built-in electric field introduced by spontaneous and piezoelectric polarizations is estimated.

  7. Exciton delocalization incorporated drift-diffusion model for bulk-heterojunction organic solar cells

    Science.gov (United States)

    Wang, Zi Shuai; Sha, Wei E. I.; Choy, Wallace C. H.

    2016-12-01

    Modeling the charge-generation process is highly important to understand device physics and optimize power conversion efficiency of bulk-heterojunction organic solar cells (OSCs). Free carriers are generated by both ultrafast exciton delocalization and slow exciton diffusion and dissociation at the heterojunction interface. In this work, we developed a systematic numerical simulation to describe the charge-generation process by a modified drift-diffusion model. The transport, recombination, and collection of free carriers are incorporated to fully capture the device response. The theoretical results match well with the state-of-the-art high-performance organic solar cells. It is demonstrated that the increase of exciton delocalization ratio reduces the energy loss in the exciton diffusion-dissociation process, and thus, significantly improves the device efficiency, especially for the short-circuit current. By changing the exciton delocalization ratio, OSC performances are comprehensively investigated under the conditions of short-circuit and open-circuit. Particularly, bulk recombination dependent fill factor saturation is unveiled and understood. As a fundamental electrical analysis of the delocalization mechanism, our work is important to understand and optimize the high-performance OSCs.

  8. Excitonic polaritons of zinc diarsenide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Syrbu, N.N., E-mail: sirbunn@yahoo.com [Technical University of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of); Stamov, I.G. [T.G. Shevchenko State University of Pridnestrovie, Tiraspol, Republic of Moldova (Moldova, Republic of); Zalamai, V.V. [Institute of Applied Physics, Academy of Sciences of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of); Dorogan, A. [Technical University of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of)

    2017-02-01

    Excitonic polaritons of ZnAs{sub 2} single crystals had been investigated. Parameters of singlet excitons with Г{sub 2}¯(z) symmetry and orthoexcitons 2Г{sub 1}¯(y)+Г{sub 2}¯(x) had been determined. Spectral dependencies of ordinary and extraordinary dispersion of refractive index had been calculated using interferential reflection and transmittance spectra. It was shown, that A excitonic series were due to hole (V{sub 1}) and electron (C{sub 1}) bands. The values of effective masses of electrons (m{sub c}{sup *}=0.10 m{sub 0}) and holes (m{sub v1}{sup *}=0.89 m{sub 0}) had been estimated. It was revealed that the hole mass m{sub v1}{sup *} changes from 1.03 m{sub 0} to 0.55 m{sub 0} at temperature increasing from 10 K up to 230 K and that the electron mass m{sub c}{sup *} does not depend on temperature. The integral absorption A (eV cm{sup −1}) of the states n=1, 2 and 3 of Г{sub 2}¯(z) excitons depends on the A{sub n}≈n{sup −3} equality, which it is characteristic for S-type excitonic functions. Temperature dependences of the integral absorption of ground states for Г{sub 2}¯(z) and Г{sub 2}¯(Ñ…) excitons differ. The ground states of B and C excitons formed by V{sub 3} – C{sub 1} and V{sub 4} – C{sub 1} bands and its parameters had been determined.

  9. Vibronic effects and destruction of exciton coherence in optical spectra of J-aggregates: A variational polaron transformation approach

    Energy Technology Data Exchange (ETDEWEB)

    Bloemsma, E.A.; Silvis, M.H.; Stradomska, A.; Knoester, J., E-mail: j.knoester@rug.nl

    2016-12-20

    Using a symmetry adapted polaron transformation of the Holstein Hamiltonian, we study the interplay of electronic excitation-vibration couplings, resonance excitation transfer interactions, and temperature in the linear absorption spectra of molecular J-aggregates. Semi-analytical expressions for the spectra are derived and compared with results obtained from direct numerical diagonalization of the Hamiltonian in the two-particle basis set representation. At zero temperature, we show that our polaron transformation reproduces both the collective (exciton) and single-molecule (vibrational) optical response associated with the appropriate standard perturbation limits. Specifically, for the molecular dimer excellent agreement with the spectra from the two-particle approach for the entire range of model parameters is obtained. This is in marked contrast to commonly used polaron transformations. Upon increasing the temperature, the spectra show a transition from the collective to the individual molecular features, which results from the thermal destruction of the exciton coherence.

  10. Numerical simulation of lead devices for seismic isolation and vibration control on their damping characteristics. Development of lead material model under cyclic large deformation

    International Nuclear Information System (INIS)

    Matsuda, Akihiro; Yabana, Shuichi; Borst, Rene de

    2004-01-01

    In order to predict the mechanical properties of lead devices for seismic isolation and vibration control, especially damping behavior under cyclic loading using numerical simulation, cyclic shear loading tests and uniaxial tensile loading tests were performed, and a new material model was proposed with the use of the both test results. Until now, it has been difficult to evaluate mechanical properties of lead material under cyclic loading by uniaxial tensile loading test because local deformations appeared with the small tensile strain. Our shear cyclic loading tests for lead material enabled practical evaluation of its mechanical properties under cyclic large strain which makes it difficult to apply uniaxial test. The proposed material model was implemented into a finite element program, and it was applied to numerical simulation of mechanical properties of lead dampers and rubber bearings with a lead plug. The numerical simulations and the corresponding laboratory loading tests showed good agreement, which proved the applicability of the proposed model. (author)

  11. Vibration mixer

    Energy Technology Data Exchange (ETDEWEB)

    Alekhin, S.A.; Chernov, V.S.; Denisenko, V.V.; Gorodnyanskiy, I.F.; Prokopov, L.I.; Tikhonov, Yu.P.

    1983-01-01

    The vibration mixer is proposed which contains a housing, vibration drive with rod installed in the upper part of the mixing mechanism made in the form of a hollow shaft with blades. In order to improve intensity of mixing and dispersion of the mud, the shaft with the blades is arranged on the rod of the vibrator and is equipped with a cam coupling whose drive disc is attached to the vibration rod. The rod is made helical, while the drive disc of the cam coupling is attached to the helical surface of the rod. In addition, the vibration mixer is equipped with perforated discs installed on the ends of the rods.

  12. Numerical Simulation of Blast Vibration and Crack Forming Effect of Rock-Anchored Beam Excavation in Deep Underground Caverns

    Directory of Open Access Journals (Sweden)

    XinPing Li

    2017-01-01

    Full Text Available Aiming at surrounding rock damage induced by dynamic disturbance from blasting excavation of rock-anchored beam in rock mass at moderate or far distance in underground cavern, numerical model of different linear charging density and crustal stress in underground cavern is established by adopting dynamic finite element software based on borehole layout, charging, and rock parameter of the actual situation of a certain hydropower station. Through comparison in vibration velocity, contour surface of rock mass excavation, and the crushing extent of excavated rock mass between calculation result and field monitoring, optimum linear charging density of blast hole is determined. Studies are also conducted on rock mass vibration in moderate or far distance to blasting source, the damage of surrounding rock in near-field to blasting source, and crushing degree of excavated rock mass under various in situ stress conditions. Results indicate that, within certain range of in situ stress, the blasting vibration is independent of in situ stress, while when in situ stress is increasing above certain value, the blasting vibration velocity will be increasing and the damage of surrounding rock and the crushing degree of excavated rock mass will be decreasing.

  13. Simulation of the effects of translational and vibrational energy on H and D atom reactions with HCl and DCl

    International Nuclear Information System (INIS)

    Valencich, T.; Hsieh, J.; Kwan, J.; Stewart, T.; Lenhardt, T.

    1976-01-01

    Agreement with experimental rate measurements for vibrational and translational effects on reactivity are shown to place stringent requirements on empirical potential energy surfaces. Classical trajectory dynamics on various surfaces show that Cl exchange reactions between isotopes of hydrogen require a barrier to agree with laser induced fluorescence experiments as well as molecular beam and thermal data. (orig.) [de

  14. Simulation of vibrational energy transfer in two-dimensional infrared spectroscopy of amide I and amide II modes in solution

    NARCIS (Netherlands)

    Bloem, Robbert; Dijkstra, Arend G.; Jansen, Thomas La Cour; Knoester, Jasper

    2008-01-01

    Population transfer between vibrational eigenstates is important for many phenomena in chemistry. In solution, this transfer is induced by fluctuations in molecular conformation as well as in the surrounding solvent. We develop a joint electrostatic density functional theory map that allows us to

  15. Water flow simulation of the flow-induced vibration phenomenon of the thermowell in the prototype-FBR 'Monju'

    International Nuclear Information System (INIS)

    Anoda, Yoshinari; Kuroda, Takeshi; Kondo, Masaya; Murata, Hideo

    1996-06-01

    On December 8, 1995 a sodium leak event occurred in the secondary heat transport system (SHTS) of the prototype fast breeder reactor (FBR), Monju, owned and operated by the Power Reactor and Nuclear Fuel Development Corporation (PNC). The direct cause of the leak was a break of a thermowell installed in the loop piping of the SHTS. The break of the thermowell is now believed to have resulted from the flow-induced vibrations due to vortex shedding from the thermowell subjected to a crossflow of sodium. The Japan Atomic Energy Research Institute has conducted a series of water flow model experiments on the flow-induced vibrations of the thermowell to contribute to the post-factor analyses of the event conducted by the Investigation Taskforce on the Sodium Leak Accident in Monju which was established by the Science and Technology Agency (STA) after this event. The experiments were performed for a wide range of experimental conditions including the condition corresponding to the operating condition of the Monju's thermowell and showed the relationship between the vortex shedding pattern and the vibration mode as well as influence of the damping (stability) parameter on the amplitude of vibration. (author)

  16. Exact solutions and numerical simulation of longitudinal vibration of the Rayleigh-Love rods with variable cross-sections

    CSIR Research Space (South Africa)

    Shatalov, M

    2012-09-01

    Full Text Available Exact solutions of equations of longitudinal vibration of conical and exponential rod are analyzed for the Rayleigh-Love model. These solutions are used as reference results for checking accuracy of the method of lines. It is shown that the method...

  17. Predicting Statistical Distributions of Footbridge Vibrations

    DEFF Research Database (Denmark)

    Pedersen, Lars; Frier, Christian

    2009-01-01

    The paper considers vibration response of footbridges to pedestrian loading. Employing Newmark and Monte Carlo simulation methods, a statistical distribution of bridge vibration levels is calculated modelling walking parameters such as step frequency and stride length as random variables...

  18. Influence of excitonic effects on luminescence quantum yield in silicon

    Energy Technology Data Exchange (ETDEWEB)

    Sachenko, A.V.; Kostylyov, V.P.; Vlasiuk, V.M. [V. Lashkaryov Institute of Semiconductor Physics, NAS of Ukraine, 41 prospect Nauky, 03028 Kyiv (Ukraine); Sokolovskyi, I.O., E-mail: isokolovskyi@mun.ca [V. Lashkaryov Institute of Semiconductor Physics, NAS of Ukraine, 41 prospect Nauky, 03028 Kyiv (Ukraine); Department of Physics and Physical Oceanography, Memorial University of Newfoundland, St. John' s, NL, A1B 3X7 Canada (Canada); Evstigneev, M. [Department of Physics and Physical Oceanography, Memorial University of Newfoundland, St. John' s, NL, A1B 3X7 Canada (Canada)

    2017-03-15

    Nonradiative exciton lifetime in silicon is determined by comparison of the experimental and theoretical curves of bulk minority charge carriers lifetime on doping and excitation levels. This value is used to analyze the influence of excitonic effects on internal luminescence quantum yield at room temperature, taking into account both nonradiative and radiative exciton lifetimes. A range of Shockley-Hall-Reed lifetimes is found, where excitonic effects lead to an increase of internal luminescence quantum yield.

  19. Bose-Einstein condensation and indirect excitons: a review.

    Science.gov (United States)

    Combescot, Monique; Combescot, Roland; Dubin, François

    2017-06-01

    We review recent progress on Bose-Einstein condensation (BEC) of semiconductor excitons. The first part deals with theory, the second part with experiments. This Review is written at a time where the problem of exciton Bose-Einstein condensation has just been revived by the understanding that the exciton condensate must be dark because the exciton ground state is not coupled to light. Here, we theoretically discuss this missed understanding before providing its experimental support through experiments that scrutinize indirect excitons made of spatially separated electrons and holes. The theoretical part first discusses condensation of elementary bosons. In particular, the necessary inhibition of condensate fragmentation by exchange interaction is stressed, before extending the discussion to interacting bosons with spin degrees of freedom. The theoretical part then considers composite bosons made of two fermions like semiconductor excitons. The spin structure of the excitons is detailed, with emphasis on the crucial fact that ground-state excitons are dark: indeed, this imposes the exciton Bose-Einstein condensate to be not coupled to light in the dilute regime. Condensate fragmentations are then reconsidered. In particular, it is shown that while at low density, the exciton condensate is fully dark, it acquires a bright component, coherent with the dark one, beyond a density threshold: in this regime, the exciton condensate is 'gray'. The experimental part first discusses optical creation of indirect excitons in quantum wells, and the detection of their photoluminescence. Exciton thermalisation is also addressed, as well as available approaches to estimate the exciton density. We then switch to specific experiments where indirect excitons form a macroscopic fragmented ring. We show that such ring provides efficient electrostatic trapping in the region of the fragments where an essentially-dark exciton Bose-Einstein condensate is formed at sub-Kelvin bath

  20. Exploration of peptides that fit into the thermally vibrating active site of cathepsin K protease by alternating artificial intelligence and molecular simulation

    Science.gov (United States)

    Nishiyama, Katsuhiko

    2017-08-01

    Eighteen tripeptides that fit into the thermally vibrating active site of cathepsin K were discovered by alternating artificial intelligence and molecular simulation. The 18 tripeptides fit the active site better than the cysteine protease inhibitor E64, and a better inhibitor of cathepsin K could be designed considering these tripeptides. Among the 18 tripeptides, Phe-Arg-Asp and Tyr-Arg-Asp fit the active site the best and their structural similarity should be considered in the design process. Interesting factors emerged from the structure of the decision tree, and its structural information will guide exploration of potential inhibitor molecules for proteases.

  1. Excitonic dynamical Franz-Keldysh effect

    DEFF Research Database (Denmark)

    Nordstrøm, K.B.; Johnsen, Kristinn; Allen, S.J.

    1998-01-01

    The dynamical Franz-Keldysh effect is exposed by exploring near-band-gap absorption in the presence of intense THz electric fields. It bridges the gap between the de Franz-Keldysh effect and multiphoton absorption and competes with the THz ac Stark effect in shifting the energy of the excitonic...... resonance. A theoretical model which includes the strong THz field nonperturbatively via a nonequilibrium Green functions technique is able to describe the dynamical Franz-Keldysh effect in the presence of excitonic absorption....

  2. Exciton broadening in WS2 /graphene heterostructures

    International Nuclear Information System (INIS)

    Hill, Heather M.; Rigosi, Albert F.; Raja, Archana

    2017-01-01

    Here, we have used optical spectroscopy to observe spectral broadening of WS 2 exciton reflectance peaks in heterostructures of monolayer WS 2 capped with mono- to few-layer graphene. The broadening is found to be similar for the A and B excitons and on the order of 5–10 meV. No strong dependence on the number of graphene layers was observed within experimental uncertainty. The broadening can be attributed to charge- and energy-transfer processes between the two materials, providing an observed lower bound for the corresponding time scales of 65 fs.

  3. Electronic energy transfer through non-adiabatic vibrational-electronic resonance. I. Theory for a dimer

    Science.gov (United States)

    Tiwari, Vivek; Peters, William K.; Jonas, David M.

    2017-10-01

    Non-adiabatic vibrational-electronic resonance in the excited electronic states of natural photosynthetic antennas drastically alters the adiabatic framework, in which electronic energy transfer has been conventionally studied, and suggests the possibility of exploiting non-adiabatic dynamics for directed energy transfer. Here, a generalized dimer model incorporates asymmetries between pigments, coupling to the environment, and the doubly excited state relevant for nonlinear spectroscopy. For this generalized dimer model, the vibrational tuning vector that drives energy transfer is derived and connected to decoherence between singly excited states. A correlation vector is connected to decoherence between the ground state and the doubly excited state. Optical decoherence between the ground and singly excited states involves linear combinations of the correlation and tuning vectors. Excitonic coupling modifies the tuning vector. The correlation and tuning vectors are not always orthogonal, and both can be asymmetric under pigment exchange, which affects energy transfer. For equal pigment vibrational frequencies, the nonadiabatic tuning vector becomes an anti-correlated delocalized linear combination of intramolecular vibrations of the two pigments, and the nonadiabatic energy transfer dynamics become separable. With exchange symmetry, the correlation and tuning vectors become delocalized intramolecular vibrations that are symmetric and antisymmetric under pigment exchange. Diabatic criteria for vibrational-excitonic resonance demonstrate that anti-correlated vibrations increase the range and speed of vibronically resonant energy transfer (the Golden Rule rate is a factor of 2 faster). A partial trace analysis shows that vibronic decoherence for a vibrational-excitonic resonance between two excitons is slower than their purely excitonic decoherence.

  4. Nonboson treatment of excitonic nonlinearity in optically excited media

    International Nuclear Information System (INIS)

    Nguyen Ba An.

    1990-11-01

    The present article shortly reviews some recent results in the study of excitonic nonlinearity in optically excited media using a nonboson treatment for many-exciton systems. After a brief discussion of the exciton nonbosonity the closed commutation relations are given for exciton operators which hold for any exciton density and type. The nonboson treatment is then applied to the problems of intrinsic optical bistability and nonlinear polariton yielding quite interesting and new effects, e.g. new shapes of hysteresis loops of intrinsic optical bistability or anomalies of polariton dispersion. (author). 71 refs, 4 figs

  5. Interlayer excitons in a bulk van der Waals semiconductor

    DEFF Research Database (Denmark)

    Arora, Ashish; Drueppel, Matthias; Schmidt, Robert

    2017-01-01

    Bound electron-hole pairs called excitons govern the electronic and optical response of many organic and inorganic semiconductors. Excitons with spatially displaced wave functions of electrons and holes (interlayer excitons) are important for Bose-Einstein condensation, superfluidity......, dissipationless current flow, and the light-induced exciton spin Hall effect. Here we report on the discovery of interlayer excitons in a bulk van der Waals semiconductor. They form due to strong localization and spin-valley coupling of charge carriers. By combining high-field magneto-reflectance experiments...

  6. Excitonic optical bistability in n-type doped semiconductors

    International Nuclear Information System (INIS)

    Nguyen Ba An; Le Thi Cat Tuong

    1991-07-01

    A resonant monochromatic pump laser generates coherent excitons in an n-type doped semiconductor. Both exciton-exciton and exciton-donor interactions come into play. The former interaction can give rise to the appearance of optical bistability which is heavily influenced by the latter one. When optical bistability occurs at a fixed laser frequency both its holding intensity and hysteresis loop size are shown to decrease with increasing donor concentration. Two possibilities are suggested for experimentally determining one of the two parameters of the system - the exciton-donor coupling constant and the donor concentration, if the other parameter is known beforehand. (author). 36 refs, 2 figs

  7. Coherent quantum dynamics of excitons in monolayer transition metal dichalcogenides

    KAUST Repository

    Moody, Galan

    2016-03-14

    Transition metal dichalcogenides (TMDs) have garnered considerable interest in recent years owing to their layer thickness-dependent optoelectronic properties. In monolayer TMDs, the large carrier effective masses, strong quantum confinement, and reduced dielectric screening lead to pronounced exciton resonances with remarkably large binding energies and coupled spin and valley degrees of freedom (valley excitons). Coherent control of valley excitons for atomically thin optoelectronics and valleytronics requires understanding and quantifying sources of exciton decoherence. In this work, we reveal how exciton-exciton and exciton-phonon scattering influence the coherent quantum dynamics of valley excitons in monolayer TMDs, specifically tungsten diselenide (WSe2), using two-dimensional coherent spectroscopy. Excitation-density and temperature dependent measurements of the homogeneous linewidth (inversely proportional to the optical coherence time) reveal that exciton-exciton and exciton-phonon interactions are significantly stronger compared to quasi-2D quantum wells and 3D bulk materials. The residual homogeneous linewidth extrapolated to zero excitation density and temperature is ~1:6 meV (equivalent to a coherence time of 0.4 ps), which is limited only by the population recombination lifetime in this sample. © (2016) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.

  8. Coherent quantum dynamics of excitons in monolayer transition metal dichalcogenides

    KAUST Repository

    Moody, Galan; Hao, Kai; Dass, Chandriker Kavir; Singh, Akshay; Xu, Lixiang; Tran, Kha; Chen, Chang-Hsiao; Li, Ming-yang; Li, Lain-Jong; Clark, Genevieve; Bergh ä user, Gunnar; Malic, Ermin; Knorr, Andreas; Xu, Xiaodong; Li, Xiaoqin

    2016-01-01

    Transition metal dichalcogenides (TMDs) have garnered considerable interest in recent years owing to their layer thickness-dependent optoelectronic properties. In monolayer TMDs, the large carrier effective masses, strong quantum confinement, and reduced dielectric screening lead to pronounced exciton resonances with remarkably large binding energies and coupled spin and valley degrees of freedom (valley excitons). Coherent control of valley excitons for atomically thin optoelectronics and valleytronics requires understanding and quantifying sources of exciton decoherence. In this work, we reveal how exciton-exciton and exciton-phonon scattering influence the coherent quantum dynamics of valley excitons in monolayer TMDs, specifically tungsten diselenide (WSe2), using two-dimensional coherent spectroscopy. Excitation-density and temperature dependent measurements of the homogeneous linewidth (inversely proportional to the optical coherence time) reveal that exciton-exciton and exciton-phonon interactions are significantly stronger compared to quasi-2D quantum wells and 3D bulk materials. The residual homogeneous linewidth extrapolated to zero excitation density and temperature is ~1:6 meV (equivalent to a coherence time of 0.4 ps), which is limited only by the population recombination lifetime in this sample. © (2016) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.

  9. Properties of Excitons Bound to Ionized Donors

    DEFF Research Database (Denmark)

    Skettrup, Torben; Suffczynski, M.; Gorzkowski, W.

    1971-01-01

    Binding energies, interparticle distances, oscillator strengths, and exchange corrections are calculated for the three-particle complex corresponding to an exciton bound to an ionized donor. The results are given as functions of the mass ratio of the electron and hole. Binding of the complex is o...

  10. Quantum-dot excitons in nanostructured environments

    DEFF Research Database (Denmark)

    Hvam, Jørn Märcher; Stobbe, Søren; Lodahl, Peter

    2010-01-01

    determined the oscillator strength, quantum efficiency and spin-flip rates of QD excitons as well as their dependencies on emission wavelength and QD size. Enhancement and inhibition of QD spontaneous emission in photonic crystal membranes (PCMs) is observed. Efficient coupling to PCM waveguides...

  11. Quantum-dot excitons in nanostructured environments

    DEFF Research Database (Denmark)

    Hvam, Jørn Märcher; Stobbe, Søren; Lodahl, Peter

    2011-01-01

    determined the oscillator strength, quantum efficiency and spin-flip rates of QD excitons as well as their dependencies on emission wavelength and QD size. Enhancement and inhibition of QD spontaneous emission in photonic crystal membranes (PCMs) is observed. Efficient coupling to PCM waveguides...

  12. Electrical Control of Excitons in Semiconductor Nanostructures

    DEFF Research Database (Denmark)

    Kirsanské, Gabija

    The scope of this thesis covers investigation of the exciton Mott transition in coupled quantum wells, fabrication of photonic-crystal structures with embedded self-assembled quantum dots, and tuning of their properties by means of an external electric field. In the first part of the thesis the f...

  13. Triplet exciton formation in organic photovoltaics

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Xudong; Westenhoff, Sebastian; Howard, Ian; Ford, Thomas; Friend, Richard; Hodgkiss, Justin; Greenham, Neil [Cavendish Laboratory, University of Cambridge (United Kingdom)

    2009-07-01

    We have recently found that the formation of triplet excitons can be an important loss mechanism in organic photovoltaics, particularly in donor-acceptor blends designed to have high open-circuit voltages. This can occur when the intrachain triplet state lies lower in energy than the charge-transfer state formed at the heterojunction. We find that in a blend based on the polyfluorene derivatives F8BT and PFB, triplet excitons are formed after photoexcitation with much higher efficiency than in the component polymers. We use transient absorption spectroscopy to study the dynamics of charges and triplet excitons on timescales from picoseconds to microseconds. This allows us to determine a characteristic time of {proportional_to} 40 ns for intersystem crossing in the charge-separated state, and to estimate that as many as 75% of photoexcitations lead to the formation of triplet states. To avoid losses to triplet excitons in photovoltaic devices, it is necessary to separate charge pairs before intersystem crossing can occur. We also present photophysical measurements of saturation and relaxation of the triplet excited state absorption used to quantify triplet populations.

  14. Effective models for excitons in carbon nanotubes

    DEFF Research Database (Denmark)

    Cornean, Horia; Duclos, Pierre; Ricaud, Benjamin

    We analyse the low lying spectrum of a model of excitons in carbon nanotubes. Consider two particles with a Coulomb self-interaction, placed on an infinitely long cylinder. If the cylinder radius becomes small, the low lying spectrum is well described by a one-dimensional effective Hamiltonian...

  15. Effective models for excitons in carbon nanotubes

    DEFF Research Database (Denmark)

    Cornean, Horia; Duclos, Pierre; Ricaud, Benjamin

    2007-01-01

    We analyse the low lying spectrum of a model of excitons in carbon nanotubes. Consider two particles with opposite charges and a Coulomb self-interaction, placed on an infinitely long cylinder. If the cylinder radius becomes small, the low lying spectrum of their relative motion is well described...

  16. Exciton diffusion length in narrow bandgap polymers

    NARCIS (Netherlands)

    Mikhnenko, O.V.; Azimi, H.; Morana, M.; Blom, P.W.M.; Loi, M.A.

    2012-01-01

    We developed a new method to accurately extract the singlet exciton diffusion length in organic semiconductors by blending them with a low concentration of methanofullerene[6,6]-phenyl-C61-butyric acid methyl ester (PCBM). The dependence of photoluminescence (PL) decay time on the fullerene

  17. Fractional Solitons in Excitonic Josephson Junctions

    Science.gov (United States)

    Su, Jung-Jung; Hsu, Ya-Fen

    The Josephson effect is especially appealing because it reveals macroscopically the quantum order and phase. Here we study this effect in an excitonic Josephson junction: a conjunct of two exciton condensates with a relative phase ϕ0 applied. Such a junction is proposed to take place in the quantum Hall bilayer (QHB) that makes it subtler than in superconductor because of the counterflow of excitonic supercurrent and the interlayer tunneling in QHB. We treat the system theoretically by first mapping it into a pseudospin ferromagnet then describing it by the Landau-Lifshitz-Gilbert equation. In the presence of interlayer tunneling, the excitonic Josephson junction can possess a family of fractional sine-Gordon solitons that resemble the static fractional Josephson vortices in the extended superconducting Josephson junctions. Interestingly, each fractional soliton carries a topological charge Q which is not necessarily a half/full integer but can vary continuously. The resultant current-phase relation (CPR) shows that solitons with Q =ϕ0 / 2 π are the lowest energy states for small ϕ0. When ϕ0 > π , solitons with Q =ϕ0 / 2 π - 1 take place - the polarity of CPR is then switched.

  18. Ship Vibrations

    DEFF Research Database (Denmark)

    Sørensen, Herman

    1997-01-01

    Methods for calculating natural frequencies for ship hulls and for plates and panels.Evaluation of the risk for inconvenient vibrations on board......Methods for calculating natural frequencies for ship hulls and for plates and panels.Evaluation of the risk for inconvenient vibrations on board...

  19. Fine structure of the exciton electroabsorption in semiconductor superlattices

    Energy Technology Data Exchange (ETDEWEB)

    Monozon, B.S., E-mail: borismonozon@mail.ru [Physics Department, Marine Technical University, 3 Lotsmanskaya Str., 190008 St.Petersburg (Russian Federation); Schmelcher, P. [Zentrum für Optische Quantentechnologien, The Hamburg Centre for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany)

    2017-02-15

    Wannier-Mott excitons in a semiconductor layered superlattice (SL) are investigated analytically for the case that the period of the superlattice is much smaller than the 2D exciton Bohr radius. Additionally we assume the presence of a longitudinal external static electric field directed parallel to the SL axis. The exciton states and the optical absorption coefficient are derived in the tight-binding and adiabatic approximations. Strong and weak electric fields providing spatially localized and extended electron and hole states, respectively, are studied. The dependencies of the exciton states and the exciton absorption spectrum on the SL parameters and the electric field strength are presented in an explicit form. We focus on the fine structure of the ground quasi-2D exciton level formed by the series of closely spaced energy levels adjacent from the high frequencies. These levels are related to the adiabatically slow relative exciton longitudinal motion governed by the potential formed by the in-plane exciton state. It is shown that the external electric fields compress the fine structure energy levels, decrease the intensities of the corresponding optical peaks and increase the exciton binding energy. A possible experimental study of the fine structure of the exciton electroabsorption is discussed.

  20. Biexciton formation and exciton coherent coupling in layered GaSe

    Science.gov (United States)

    Dey, P.; Paul, J.; Moody, G.; Stevens, C. E.; Glikin, N.; Kovalyuk, Z. D.; Kudrynskyi, Z. R.; Romero, A. H.; Cantarero, A.; Hilton, D. J.; Karaiskaj, D.

    2015-06-01

    Nonlinear two-dimensional Fourier transform (2DFT) and linear absorption spectroscopy are used to study the electronic structure and optical properties of excitons in the layered semiconductor GaSe. At the 1s exciton resonance, two peaks are identified in the absorption spectra, which are assigned to splitting of the exciton ground state into the triplet and singlet states. 2DFT spectra acquired for co-linear polarization of the excitation pulses feature an additional peak originating from coherent energy transfer between the singlet and triplet. At cross-linear polarization of the excitation pulses, the 2DFT spectra expose a new peak likely originating from bound biexcitons. The polarization dependent 2DFT spectra are well reproduced by simulations using the optical Bloch equations for a four level system, where many-body effects are included phenomenologically. Although biexciton effects are thought to be strong in this material, only moderate contributions from bound biexciton creation can be observed. The biexciton binding energy of ˜2 meV was estimated from the separation of the peaks in the 2DFT spectra. Temperature dependent absorption and 2DFT measurements, combined with "ab initio" theoretical calculations of the phonon spectra, indicate strong interaction with the A1 ' phonon mode. Excitation density dependent 2DFT measurements reveal excitation induced dephasing and provide a lower limit for the homogeneous linewidth of the excitons in the present GaSe crystal.

  1. Biexciton formation and exciton coherent coupling in layered GaSe

    International Nuclear Information System (INIS)

    Dey, P.; Paul, J.; Stevens, C. E.; Glikin, N.; Karaiskaj, D.; Moody, G.; Kovalyuk, Z. D.; Kudrynskyi, Z. R.; Romero, A. H.; Cantarero, A.; Hilton, D. J.

    2015-01-01

    Nonlinear two-dimensional Fourier transform (2DFT) and linear absorption spectroscopy are used to study the electronic structure and optical properties of excitons in the layered semiconductor GaSe. At the 1s exciton resonance, two peaks are identified in the absorption spectra, which are assigned to splitting of the exciton ground state into the triplet and singlet states. 2DFT spectra acquired for co-linear polarization of the excitation pulses feature an additional peak originating from coherent energy transfer between the singlet and triplet. At cross-linear polarization of the excitation pulses, the 2DFT spectra expose a new peak likely originating from bound biexcitons. The polarization dependent 2DFT spectra are well reproduced by simulations using the optical Bloch equations for a four level system, where many-body effects are included phenomenologically. Although biexciton effects are thought to be strong in this material, only moderate contributions from bound biexciton creation can be observed. The biexciton binding energy of ∼2 meV was estimated from the separation of the peaks in the 2DFT spectra. Temperature dependent absorption and 2DFT measurements, combined with “ab initio” theoretical calculations of the phonon spectra, indicate strong interaction with the A 1 ′ phonon mode. Excitation density dependent 2DFT measurements reveal excitation induced dephasing and provide a lower limit for the homogeneous linewidth of the excitons in the present GaSe crystal

  2. Biexciton formation and exciton coherent coupling in layered GaSe

    Energy Technology Data Exchange (ETDEWEB)

    Dey, P.; Paul, J.; Stevens, C. E.; Glikin, N.; Karaiskaj, D., E-mail: karaiskaj@usf.edu [Department of Physics, University of South Florida, 4202 East Fowler Ave., Tampa, Florida 33620 (United States); Moody, G. [National Institute of Standards and Technology, 325 Broadway, Boulder, Colarado 80305 (United States); Kovalyuk, Z. D.; Kudrynskyi, Z. R. [Chernivtsi Department, Frantsevich Institute of Material Sciences Problems, The National Academy of Sciences of Ukraine, 5, Iryna Vilde St., 58001 Chernivtsi (Ukraine); Romero, A. H. [Physics Department, West Virginia University, Morgantown, West Virginia 26506-6315 (United States); Cantarero, A. [Materials Science Institute, University of Valencia, P.O. Box 2205, 46071 Valencia (Spain); Hilton, D. J. [Department of Physics, University of Alabama at Birmingham, Birmingham, Alabama 35294 (United States)

    2015-06-07

    Nonlinear two-dimensional Fourier transform (2DFT) and linear absorption spectroscopy are used to study the electronic structure and optical properties of excitons in the layered semiconductor GaSe. At the 1s exciton resonance, two peaks are identified in the absorption spectra, which are assigned to splitting of the exciton ground state into the triplet and singlet states. 2DFT spectra acquired for co-linear polarization of the excitation pulses feature an additional peak originating from coherent energy transfer between the singlet and triplet. At cross-linear polarization of the excitation pulses, the 2DFT spectra expose a new peak likely originating from bound biexcitons. The polarization dependent 2DFT spectra are well reproduced by simulations using the optical Bloch equations for a four level system, where many-body effects are included phenomenologically. Although biexciton effects are thought to be strong in this material, only moderate contributions from bound biexciton creation can be observed. The biexciton binding energy of ∼2 meV was estimated from the separation of the peaks in the 2DFT spectra. Temperature dependent absorption and 2DFT measurements, combined with “ab initio” theoretical calculations of the phonon spectra, indicate strong interaction with the A{sub 1}{sup ′} phonon mode. Excitation density dependent 2DFT measurements reveal excitation induced dephasing and provide a lower limit for the homogeneous linewidth of the excitons in the present GaSe crystal.

  3. Polarized excitons and optical activity in single-wall carbon nanotubes

    Science.gov (United States)

    Chang, Yao-Wen; Jin, Bih-Yaw

    2018-05-01

    The polarized excitons and optical activity of single-wall carbon nanotubes (SWNTs) are studied theoretically by π -electron Hamiltonian and helical-rotational symmetry. By taking advantage of the symmetrization, the single-particle energy and properties of a SWNT are characterized with the corresponding helical band structure. The dipole-moment matrix elements, magnetic-moment matrix elements, and the selection rules can also be derived. Based on different selection rules, the optical transitions can be assigned as the parallel-polarized, left-handed circularly-polarized, and right-handed circularly-polarized transitions, where the combination of the last two gives the cross-polarized transition. The absorption and circular dichroism (CD) spectra are simulated by exciton calculation. The calculated results are well comparable with the reported measurements. Built on the foundation, magnetic-field effects on the polarized excitons and optical activity of SWNTs are studied. Dark-bright exciton splitting and interband Faraday effect in the CD spectrum of SWNTs under an axial magnetic field are predicted. The Faraday rotation dispersion can be analyzed according to the selection rules of circular polarizations and the helical band structure.

  4. Relaxation of nonthermal hh and lh excitons in ZnSe quantum wells

    DEFF Research Database (Denmark)

    Kalt, H.; Hoffmann, J.; Umlauff, M.

    1998-01-01

    The strong exciton-LO phonon coupling in ZnSe QWs gives a direct access to the relaxation dynamics of nonthermal, free heavy-hole and light-hole excitons. Narrow hot-exciton distributions can be generated by LO-phonon assisted exciton formation. The thermalization of these excitons is monitored b...

  5. Direct visualization of exciton reequilibration in the LH1 and LH2 complexes of Rhodobacter sphaeroides by multipulse spectroscopy.

    Science.gov (United States)

    Cohen Stuart, Thomas A; Vengris, Mikas; Novoderezhkin, Vladimir I; Cogdell, Richard J; Hunter, C Neil; van Grondelle, Rienk

    2011-05-04

    The dynamics of the excited states of the light-harvesting complexes LH1 and LH2 of Rhodobacter sphaeroides are governed, mainly, by the excitonic nature of these ring-systems. In a pump-dump-probe experiment, the first pulse promotes LH1 or LH2 to its excited state and the second pulse dumps a portion of the excited state. By selective dumping, we can disentangle the dynamics normally hidden in the excited-state manifold. We find that by using this multiple-excitation technique we can visualize a 400-fs reequilibration reflecting relaxation between the two lowest exciton states that cannot be directly explored by conventional pump-probe. An oscillatory feature is observed within the exciton reequilibration, which is attributed to a coherent motion of a vibrational wavepacket with a period of ∼150 fs. Our disordered exciton model allows a quantitative interpretation of the observed reequilibration processes occurring in these antennas. Copyright © 2011 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  6. Investigating the structural origin of trpzip2 temperature dependent unfolding fluorescence line shape based on a Markov state model simulation.

    Science.gov (United States)

    Song, Jian; Gao, Fang; Cui, Raymond Z; Shuang, Feng; Liang, Wanzhen; Huang, Xuhui; Zhuang, Wei

    2012-10-25

    Vibrationally resolved fluorescence spectra of the β-hairpin trpzip2 peptide at two temperatures as well as during a T-jump unfolding process are simulated on the basis of a combination of Markov state models and quantum chemistry schemes. The broad asymmetric spectral line shape feature is reproduced by considering the exciton-phonon couplings. The temperature dependent red shift observed in the experiment has been attributed to the state population changes of specific chromophores. Through further theoretical study, it is found that both the environment's electric field and the chromophores' geometry distortions are responsible for tryptophan fluorescence shift.

  7. Excitonic and photonic processes in materials

    CERN Document Server

    Williams, Richard

    2015-01-01

    This book is expected to present state-of-the-art understanding of a selection of excitonic and photonic processes in useful materials from semiconductors to insulators to metal/insulator nanocomposites, both inorganic and organic.  Among the featured applications are components of solar cells, detectors, light-emitting devices, scintillators, and materials with novel optical properties.  Excitonic properties are particularly important in organic photovoltaics and light emitting devices, as also in questions of the ultimate resolution and efficiency of new-generation scintillators for medical diagnostics,  border security, and nuclear nonproliferation.  Novel photonic and optoelectronic applications benefit from new material combinations and structures to be discussed.

  8. Energy relaxation and transfer in excitonic trimer

    International Nuclear Information System (INIS)

    Herman, Pavel; Barvik, Ivan; Urbanec, Martin

    2004-01-01

    Two models describing exciton relaxation and transfer (the Redfield model in the secular approximation and Capek's model) are compared for a simple example - a symmetric trimer coupled to a phonon bath. Energy transfer within the trimer occurs via resonance interactions and coupling between the trimer and the bath occurs via modulation of the monomer energies by phonons. Two initial conditions are adopted: (1) one of higher eigenstates of the trimer is initially occupied and (2) one local site of the trimer is initially occupied. The diagonal exciton density matrix elements in the representation of eigenstates are found to be the same for both models, but this is not so for the off-diagonal density matrix elements. Only if the off-diagonal density matrix elements vanish initially (initial condition (1)), they then vanish at arbitrary times in both models. If the initial excitation is local, the off-diagonal matrix elements essentially differ

  9. Excitonic transitions in homoepitaxial GaN

    Energy Technology Data Exchange (ETDEWEB)

    Martinez-Criado, G.; Cros, A.; Cantarero, A. [Materials Science Inst. and Dept. of Applied Physics, Univ. of Valencia (Spain); Miskys, C.R.; Ambacher, O.; Stutzmann, M. [Technische Univ. Muenchen, Garching (Germany). Walter-Schottky-Inst. fuer Physikalische Grundlagen der Halbleiterelektronik

    2001-11-08

    The photoluminescence spectrum of a high quality homoepitaxial GaN film has been measured as a function of temperature. As temperature increases the recombination of free excitons dominates the spectra. Their energy shift has successfully fitted in that temperature range by means of the Bose-Einstein expression instead of Varshni's relationship. Values for the parameters of both semi-empirical relations describing the energy shift are reported and compared with the literature. (orig.)

  10. Comments on exciton-phonon coupling. II

    International Nuclear Information System (INIS)

    Allen, J.W.; Silbey, R.

    1979-01-01

    Two variational calculations of the energy and correlation functions for a simple exciton-phonon coupled system are presented and contrasted to the adiabatic solution and the exact solution. The simpler variational solution leads to two minima and abrupt changes in the properties of the system; an asymmetric variational wavefunction, motivated by the form of perturbation theory for this problem, leads to smooth behavior in agreement with the exact result. (Auth.)

  11. Exciton fission in monolayer transition metal dichalcogenide semiconductors.

    Science.gov (United States)

    Steinhoff, A; Florian, M; Rösner, M; Schönhoff, G; Wehling, T O; Jahnke, F

    2017-10-27

    When electron-hole pairs are excited in a semiconductor, it is a priori not clear if they form a plasma of unbound fermionic particles or a gas of composite bosons called excitons. Usually, the exciton phase is associated with low temperatures. In atomically thin transition metal dichalcogenide semiconductors, excitons are particularly important even at room temperature due to strong Coulomb interaction and a large exciton density of states. Using state-of-the-art many-body theory, we show that the thermodynamic fission-fusion balance of excitons and electron-hole plasma can be efficiently tuned via the dielectric environment as well as charge carrier doping. We propose the observation of these effects by studying exciton satellites in photoemission and tunneling spectroscopy, which present direct solid-state counterparts of high-energy collider experiments on the induced fission of composite particles.

  12. Chiral topological excitons in a Chern band insulator

    Science.gov (United States)

    Chen, Ke; Shindou, Ryuichi

    2017-10-01

    A family of semiconductors called Chern band insulators are shown to host exciton bands with nonzero topological Chern integers and chiral exciton edge modes. Using a prototypical two-band Chern insulator model, we calculate a cross-correlation function to obtain the exciton bands and their Chern integers. The lowest exciton band acquires Chern integers such as ±1 and ±2 in the electronic Chern insulator phase. The nontrivial topology can be experimentally observed both by a nonlocal optoelectronic response of exciton edge modes and by a phase shift in the cross-correlation response due to the bulk mode. Our result suggests that magnetically doped HgTe, InAs/GaSb quantum wells, and (Bi,Sb)2Te3 thin films are promising candidates for a platform of topological excitonics.

  13. Exciton Mapping at Subwavelength Scales in Two-Dimensional Materials

    KAUST Repository

    Tizei, Luiz H. G.

    2015-03-01

    Spatially resolved electron-energy-loss spectroscopy (EELS) is performed at diffuse interfaces between MoS2 and MoSe2 single layers. With a monochromated electron source (20 meV) we successfully probe excitons near the interface by obtaining the low loss spectra at the nanometer scale. The exciton maps clearly show variations even with a 10 nm separation between measurements; consequently, the optical band gap can be measured with nanometer-scale resolution, which is 50 times smaller than the wavelength of the emitted photons. By performing core-loss EELS at the same regions, we observe that variations in the excitonic signature follow the chemical composition. The exciton peaks are observed to be broader at interfaces and heterogeneous regions, possibly due to interface roughness and alloying effects. Moreover, we do not observe shifts of the exciton peak across the interface, possibly because the interface width is not much larger than the exciton Bohr radius.

  14. Fluorescence Spectroscopy, Exciton Dynamics and Photochemistry of Single Allophycocyanin Trimers

    International Nuclear Information System (INIS)

    Ying, Liming; Xie, Xiaoliang

    1998-01-01

    We report a study of the spectroscopy and exciton dynamics of the allophycocyanin trimer (APC), a light harvesting protein complex from cyanobacteria, by room-temperature single-molecule measurements of fluorescence spectra, lifetimes, intensity trajectories and polarization modulation. Emission spectra of individual APC trimers are found to be homogeneous on the time scale of seconds. In contrast, their emission lifetimes are found to be widely distributed, because of generation of exciton traps during the course of measurements. The intensity trajectories and polarization modulation experiments indicate reversible ixciton trap formation within the three quasi-independent pairs of strong interacting a84 and B84 chromophores in APC, as well a photobleaching of individual chromophores. Comparison experiments under continuous wave and pulsed excitation reveal a two-photon mechanism for generating exciton traps and/or photobleaching, which involves exciton-exciton annihilation. These single-molecule experiments provide new insights into exciton dynamics and photochemistry of light-harvesting complexes

  15. Excitons in atomically thin 2D semiconductors and their applications

    Science.gov (United States)

    Xiao, Jun; Zhao, Mervin; Wang, Yuan; Zhang, Xiang

    2017-06-01

    The research on emerging layered two-dimensional (2D) semiconductors, such as molybdenum disulfide (MoS2), reveals unique optical properties generating significant interest. Experimentally, these materials were observed to host extremely strong light-matter interactions as a result of the enhanced excitonic effect in two dimensions. Thus, understanding and manipulating the excitons are crucial to unlocking the potential of 2D materials for future photonic and optoelectronic devices. In this review, we unravel the physical origin of the strong excitonic effect and unique optical selection rules in 2D semiconductors. In addition, control of these excitons by optical, electrical, as well as mechanical means is examined. Finally, the resultant devices such as excitonic light emitting diodes, lasers, optical modulators, and coupling in an optical cavity are overviewed, demonstrating how excitons can shape future 2D optoelectronics.

  16. New method for control over exciton states in quantum wells

    International Nuclear Information System (INIS)

    Maslov, A Yu; Proshina, O V

    2010-01-01

    The theoretical study of the exciton states in the quantum well is performed with regard to the distinctions of the dielectric properties of quantum well and barrier materials. The strong exciton-phonon interaction is shown to be possible in materials with high ionicity. This leads to the essential modification of the exciton states. The relationship between the exciton binding energy, along with oscillator strength and the barrier material dielectric properties is found. This suggests the feasibility of the exciton spectrum parameter control by the choice of the barrier material. It is shown that such exciton spectrum engineering also is possible in the quantum wells based on the materials with low ionicity. The reason is the dielectric confinement effect in the quantum wells.

  17. Excitons in intact cells of photosynthetic bacteria.

    Science.gov (United States)

    Freiberg, Arvi; Pajusalu, Mihkel; Rätsep, Margus

    2013-09-26

    Live cells and regular crystals seem fundamentally incompatible. Still, effects characteristic to ideal crystals, such as coherent sharing of excitation, have been recently used in many studies to explain the behavior of several photosynthetic complexes, especially the inner workings of the light-harvesting apparatus of the oldest known photosynthetic organisms, the purple bacteria. To this date, there has been no concrete evidence that the same effects are instrumental in real living cells, leaving a possibility that this is an artifact of unnatural study conditions, not a real effect relevant to the biological operation of bacteria. Hereby, we demonstrate survival of collective coherent excitations (excitons) in intact cells of photosynthetic purple bacteria. This is done by using excitation anisotropy spectroscopy for tracking the temperature-dependent evolution of exciton bands in light-harvesting systems of increasing structural complexity. The temperature was gradually raised from 4.5 K to ambient temperature, and the complexity of the systems ranged from detergent-isolated complexes to complete bacterial cells. The results provide conclusive evidence that excitons are indeed one of the key elements contributing to the energetic and dynamic properties of photosynthetic organisms.

  18. Urban vibrations

    DEFF Research Database (Denmark)

    Morrison, Ann; Knudsen, L.; Andersen, Hans Jørgen

    2012-01-01

    In   this   paper   we   describe   a   field   study   conducted   with   a   wearable   vibration   belt   where   we   test   to   determine   the   vibration   intensity   sensitivity   ranges   on   a   large   diverse   group   of   participants   with   evenly   distributed  ages  and...

  19. Organic-Inorganic Composites of Semiconductor Nanocrystals for Efficient Excitonics.

    Science.gov (United States)

    Guzelturk, Burak; Demir, Hilmi Volkan

    2015-06-18

    Nanocomposites of colloidal semiconductor nanocrystals integrated into conjugated polymers are the key to soft-material hybrid optoelectronics, combining advantages of both plastics and particles. Synergic combination of the favorable properties in the hybrids of colloidal nanocrystals and conjugated polymers offers enhanced performance and new functionalities in light-generation and light-harvesting applications, where controlling and mastering the excitonic interactions at the nanoscale are essential. In this Perspective, we highlight and critically consider the excitonic interactions in the organic-inorganic nanocomposites to achieve highly efficient exciton transfer through rational design of the nanocomposites. The use of strong excitonic interactions in optoelectronic devices can trigger efficiency breakthroughs in hybrid optoelectronics.

  20. Excitonic bistabilities, instabilities and chaos in laser-pumped semiconductor

    International Nuclear Information System (INIS)

    Nguyen Ba An; Nguyen Trung Dan; Hoang Xuan Nguyen

    1992-07-01

    The Hurwitz criteria are used for a stability analysis of the steady state excitonic optical bistability curves in a semiconductor pumped by an external laser resonant with the exciton level. Besides the middle branch of the bistability curves which is unstable in the sense of the linear stability theory, we have found other domains of instability in the upper and lower branches of the steady state curves. Numerical results show that a possible route to chaos in the photon-exciton system is period-doubling self-oscillation process. The influence of the presence of free carriers that coexist with the excitons is also discussed. (author). 16 refs, 6 figs

  1. Measurement of Exciton Binding Energy of Monolayer WS2

    Science.gov (United States)

    Chen, Xi; Zhu, Bairen; Cui, Xiaodong

    Excitonic effects are prominent in monolayer crystal of transition metal dichalcogenides (TMDCs) because of spatial confinement and reduced Coulomb screening. Here we use linear differential transmission spectroscopy and two-photon photoluminescence excitation spectroscopy (TP-PLE) to measure the exciton binding energy of monolayer WS2. Peaks for excitonic absorptions of the direct gap located at K valley of the Brillouin zone and transitions from multiple points near Γ point of the Brillouin zone, as well as trion side band are shown in the linear absorption spectra of WS2. But there is no gap between distinct excitons and the continuum of the interband transitions. Strong electron-phonon scattering, overlap of excitons around Γ point and the transfer of the oscillator strength from interband continuum to exciton states make it difficult to resolve the electronic interband transition edge even down to 10K. The gap between excited states of the band-edge exciton and the single-particle band is probed by TP-PLE measurements. And the energy difference between 1s exciton and the single-particle gap gives the exciton binding energy of monolayer WS2 to be about 0.71eV. The work is supported by Area of excellency (AoE/P-04/08), CRF of Hong Kong Research Grant Council (HKU9/CRF/13G) and SRT on New Materials of The University of Hong Kong.

  2. Exciton management in organic photovoltaic multidonor energy cascades.

    Science.gov (United States)

    Griffith, Olga L; Forrest, Stephen R

    2014-05-14

    Multilayer donor regions in organic photovoltaics show improved power conversion efficiency when arranged in decreasing exciton energy order from the anode to the acceptor interface. These so-called "energy cascades" drive exciton transfer from the anode to the dissociating interface while reducing exciton quenching and allowing improved overlap with the solar spectrum. Here we investigate the relative importance of exciton transfer and blocking in a donor cascade employing diphenyltetracene (D1), rubrene (D2), and tetraphenyldibenzoperiflanthene (D3) whose optical gaps monotonically decrease from D1 to D3. In this structure, D1 blocks excitons from quenching at the anode, D2 accepts transfer of excitons from D1 and blocks excitons at the interface between D2 and D3, and D3 contributes the most to the photocurrent due to its strong absorption at visible wavelengths, while also determining the open circuit voltage. We observe singlet exciton Förster transfer from D1 to D2 to D3 consistent with cascade operation. The power conversion efficiency of the optimized cascade OPV with a C60 acceptor layer is 7.1 ± 0.4%, which is significantly higher than bilayer devices made with only the individual donors. We develop a quantitative model to identify the dominant exciton processes that govern the photocurrent generation in multilayer organic structures.

  3. Exciton molecule in semiconductors by two-photon absorption

    International Nuclear Information System (INIS)

    Arya, K.; Hassan, A.R.

    1976-07-01

    Direct creation of bi-exciton states by two-photon absorption in direct gap semiconductors is investigated theoretically. A numerical application to the case of CuCl shows that the two-photon absorption coefficient for bi-excitonic transitions is larger than that for two-photon interband transitions by three orders of magnitude. It becomes comparable to that for one-photon excitonic transitions for available laser intensities. The main contribution to this enhancement of the absorption coefficient for the transitions to the bi-exciton states is found to be from the resonance effect

  4. Molecular weight dependence of exciton diffusion in poly(3-hexylthiophene)

    DEFF Research Database (Denmark)

    Masri, Zarifi; Ruseckas, Arvydas; Emelianova, Evguenia V.

    2013-01-01

    A joint experimental and theoretical study of singlet exciton diffusion in spin-coated poly(3-hexylthiophene) (P3HT) films and its dependence on molecular weight is presented. The results show that exciton diffusion is fast along the co-facial π–π aggregates of polymer chromophores and about 100...... times slower in the lateral direction between aggregates. Exciton hopping between aggregates is found to show a subtle dependence on interchain coupling, aggregate size, and Boltzmann statistics. Additionally, a clear correlation is observed between the effective exciton diffusion coefficient...

  5. Probing exciton density of states through phonon-assisted emission in GaN epilayers: A and B exciton contributions

    Science.gov (United States)

    Cavigli, Lucia; Gabrieli, Riccardo; Gurioli, Massimo; Bogani, Franco; Feltin, Eric; Carlin, Jean-François; Butté, Raphaël; Grandjean, Nicolas; Vinattieri, Anna

    2010-09-01

    A detailed experimental investigation of the phonon-assisted emission in a high-quality c -plane GaN epilayer is presented up to 200 K. By performing photoluminescence and reflectivity measurements, we find important etaloning effects in the phonon-replica spectra, which have to be corrected before addressing the lineshape analysis. Direct experimental evidence for free exciton thermalization is found for the whole temperature range investigated. A close comparison with existing models for phonon replicas originating from a thermalized free exciton distribution shows that the simplified and commonly adopted description of the exciton-phonon interaction with a single excitonic band leads to a large discrepancy with experimental data. Only the consideration of the complex nature of the excitonic band in GaN, including A and B exciton contributions, allows accounting for the temperature dependence of the peak energy, intensity, and lineshape of the phonon replicas.

  6. Tensor network methods for the simulation of open quantum dynamics in multichromophore systems: Application to singlet fission in novel pentacene dimers

    Science.gov (United States)

    Chin, Alex

    Singlet fission (SF) is an ultrafast process in which a singlet exciton spontaneously converts into a pair of entangled triplet excitons on neighbouring organic molecules. As a mechanism of multiple exciton generation, it has been suggested as a way to increase the efficiency of organic photovoltaic devices, and its underlying photophysics across a wide range of molecules and materials has attracted significant theoretical attention. Recently, a number of studies using ultrafast nonlinear optics have underscored the importance of intramolecular vibrational dynamics in efficient SF systems, prompting a need for methods capable of simulating open quantum dynamics in the presence of highly structured and strongly coupled environments. Here, a combination of ab initio electronic structure techniques and a new tensor-network methodology for simulating open vibronic dynamics is presented and applied to a recently synthesised dimer of pentacene (DP-Mes). We show that ultrafast (300 fs) SF in this system is driven entirely by symmetry breaking vibrations, and our many-body approach enables the real-time identification and tracking of the ''functional' vibrational dynamics and the role of the ''bath''-like parts of the environment. Deeper analysis of the emerging wave functions points to interesting links between the time at which parts of the environment become relevant to the SF process and the optimal topology of the tensor networks, highlighting the additional insight provided by moving the problem into the natural language of correlated quantum states and how this could lead to simulations of much larger multichromophore systems Supported by The Winton Programme for the Physics of Sustainability.

  7. Detection, simulation, assessing environmental influences. Climate/shock/irradiation/vibrations/electromagnetism/air contamination/biological influences. Papers

    International Nuclear Information System (INIS)

    1992-01-01

    Investigations using environmental simulation are designed to reveal cause-and-effect mechanisms in ageing and weathering processes. Issues of artificial ageing and timelapsing play an important role. The 29 contributions to the 21st Annual Conference deal in particular with the topics: strategies in environmental simulation, irradiation and exposure testing of polymers, atmospheric influences and air ingredients, and mechanical environmental influences. (orig./DG) [de

  8. Simulations and experiments on vibration damping for zoom-holography and nano-scanning at the GINIX

    Science.gov (United States)

    Osterhoff, Markus; Luley, Peter; Sprung, Michael; Salditt, Tim

    2017-09-01

    The Göttingen Instrument for Nano-Imaging with X-ray (GINIX) is a holography endstation located at the P10 coherence beamline at PETRA III, designed and operated by the University of Göttingen in close collaboration with DESY Photon science Hamburg [1-2]. GINIX is designed as a waveguide based holography experiment with a Kirkpatrick-Baez nanofocus. Its versatility has stimulated a great manifold of imaging modalities. Today, users choose the GINIX setup not only for its few nm coherent waveguide beams (e.g. for ptychography or holography), but also to carry out scanning SAXS measurements to probe local anisotropies with sub-micron real-space and even higher reciprocal space resolution. In addition, it is possible to combine different detectors for e.g. simultaneous SAXS/WAXS and fluorescence measurements [3]. We summarise our ongoing efforts to reduce vibrations in the setup, and present latest experimental results obtained with GINIX, focusing on the unique capabilities offered by its versatile and flexible design. The overview includes results from different imaging schemes such as waveguide based zoom-tomography and user examples in WAXS geometry. We show how to correlate complementary techniques like holography and scanning SAXS and present first results obtained using a new fast sample scanner for Multilayer Zone Plate imaging..

  9. Modulational instabilities in acetanilide taking into account both the N H and the C=O vibrational self-trappings

    Science.gov (United States)

    Simo, Elie

    2007-02-01

    A model of crystalline acetanilide, ACN accounting for the C=O and N-H vibrational self-trappings is presented. We develop a fully discrete version of ACN. We show that ACN can be described by a set of two coupled discrete nonlinear Schrödinger (DNLS) equations. Modulational instabilities (MI) are studied both theoretically and numerically. Dispersion laws for the wavenumbers and frequencies of the linear modulation waves are determined. We also derived the criterion for the existence of MI. Numerical simulations are carried out for a variety of selected wave amplitudes in the unstable zone. It is shown that instabilities grow as the wavenumbers and amplitudes of the modulated waves increase. MI grow faster in the N-H mode than in the C=O mode. Temporal evolution of the density probabilities of the vibrational excitons are obtained by the numerical integration of the coupled DNLS equations governing the ACN molecule. These investigations confirm the generation of localized modes by the phenomenon of MI and the predominance of the N-H vibrational mode in the MI process of the ACN.

  10. Measurement of the membrane dipole electric field in DMPC vesicles using vibrational shifts of p-cyanophenylalanine and molecular dynamics simulations.

    Science.gov (United States)

    Shrestha, Rebika; Cardenas, Alfredo E; Elber, Ron; Webb, Lauren J

    2015-02-19

    The magnitude of the membrane dipole field was measured using vibrational Stark effect (VSE) shifts of nitrile oscillators placed on the unnatural amino acid p-cyanophenylalanine (p-CN-Phe) added to a peptide sequence at four unique positions. These peptides, which were based on a repeating alanine-leucine motif, intercalated into small unilamellar DMPC vesicles which formed an α-helix as confirmed by circular dichroic (CD) spectroscopy. Molecular dynamics simulations of the membrane-intercalated helix containing two of the nitrile probes, one near the headgroup region of the lipid (αLAX(25)) and one buried in the interior of the bilayer (αLAX(16)), were used to examine the structure of the nitrile with respect to the membrane normal, the assumed direction of the dipole field, by quantifying both a small tilt of the helix in the bilayer and conformational rotation of the p-CN-Phe side chain at steady state. Vibrational absorption energies of the nitrile oscillator at each position showed a systematic blue shift as the nitrile was stepped toward the membrane interior; for several different concentrations of peptide, the absorption energy of the nitrile located in the middle of the bilayer was ∼3 cm(-1) greater than that of the nitrile closest to the surface of the membrane. Taken together, the measured VSE shifts and nitrile orientations within the membrane resulted in an absolute magnitude of 8-11 MV/cm for the dipole field, at the high end of the range of possible values that have been accumulated from a variety of indirect measurements. Implications for this are discussed.

  11. Water Orientation at Ceramide/Water Interfaces Studied by Heterodyne-Detected Vibrational Sum Frequency Generation Spectroscopy and Molecular Dynamics Simulation

    KAUST Repository

    Adhikari, Aniruddha

    2016-10-10

    Lipid/water interaction is essential for many biological processes. The water structure at the nonionic lipid interface remains little known, and there is no scope of a priori prediction of water orientation at nonionic interfaces, either. Here, we report our study combining advanced nonlinear spectroscopy and molecular dynamics simulation on the water orientation at the ceramide/water interface. We measured χ spectrum in the OH stretch region of ceramide/isotopically diluted water interface using heterodyne-detected vibrational sum-frequency generation spectroscopy and found that the interfacial water prefers an overall hydrogen-up orientation. Molecular dynamics simulation indicates that this preferred hydrogen-up orientation of water is determined by a delicate balance between hydrogen-up and hydrogen-down orientation induced by lipid-water and intralipid hydrogen bonds. This mechanism also suggests that water orientation at neutral lipid interfaces depends highly on the chemical structure of the lipid headgroup, in contrast to the charged lipid interfaces where the net water orientation is determined solely by the charge of the lipid headgroup.

  12. Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. II. Infrared spectrum and vibrational dynamics

    DEFF Research Database (Denmark)

    Vendrell, Oriol; Gatti, Fabien; Meyer, Hans-Dieter

    2007-01-01

    The infrared absorption spectrum of the protonated water dimer (H5O2+) is simulated in full dimensionality (15 dimensional) in the spectral range of 0-4000 cm(-1). The calculations are performed using the multiconfiguration time-dependent Hartree (MCTDH) method for propagation of wavepackets. All...

  13. Directing energy transport in organic photovoltaic cells using interfacial exciton gates.

    Science.gov (United States)

    Menke, S Matthew; Mullenbach, Tyler K; Holmes, Russell J

    2015-04-28

    Exciton transport in organic semiconductors is a critical, mediating process in many optoelectronic devices. Often, the diffusive and subdiffusive nature of excitons in these systems can limit device performance, motivating the development of strategies to direct exciton transport. In this work, directed exciton transport is achieved with the incorporation of exciton permeable interfaces. These interfaces introduce a symmetry-breaking imbalance in exciton energy transfer, leading to directed motion. Despite their obvious utility for enhanced exciton harvesting in organic photovoltaic cells (OPVs), the emergent properties of these interfaces are as yet uncharacterized. Here, directed exciton transport is conclusively demonstrated in both dilute donor and energy-cascade OPVs where judicious optimization of the interface allows exciton transport to the donor-acceptor heterojunction to occur considerably faster than when relying on simple diffusion. Generalized systems incorporating multiple exciton permeable interfaces are also explored, demonstrating the ability to further harness this phenomenon and expeditiously direct exciton motion, overcoming the diffusive limit.

  14. Coherent excitonic nonlinearity versus inhomogeneous broadening in single quantum wells

    DEFF Research Database (Denmark)

    Langbein, Wolfgang Werner; Borri, Paola; Hvam, Jørn Märcher

    1998-01-01

    The coherent response of excitons in semiconductor nanostructures, as measured in four wave mixing (FWM) experiments, depends strongly on the inhomogeneous broadening of the exciton transition. We investigate GaAs-AlGaAs single quantum wells (SQW) of 4 nm to 25 nm well width. Two main mechanisms...

  15. Energy dissipation of free exciton polaritons in semiconducting films

    International Nuclear Information System (INIS)

    De Crescenzi, M.; Harbeke, G.; Tosatti, E.

    1978-08-01

    The effective (thickness-dependent) light absorption coefficient K(ω,d) is discussed for thin semiconducting films in the frequency range of free, spatially dispersive exciton polaritons. We find that (i) it oscillates strongly for small film thicknesses; (ii) it exhibits a slanted peak lineshape; (iii) its integrated strength also depends upon the exciton damping and extrapolates to zero for vanishing damping

  16. Exciton ionization in multilayer transition-metal dichalcogenides

    DEFF Research Database (Denmark)

    Pedersen, Thomas Garm; Latini, Simone; Thygesen, Kristian Sommer

    2016-01-01

    Photodetectors and solar cells based on materials with strongly bound excitons rely crucially on field-assisted exciton ionization. We study the ionization process in multilayer transition-metal dichalcogenides (TMDs) within the Mott-Wannier model incorporating fully the pronounced anisotropy...

  17. Bose Condensation of Interwell Excitons in Double Quantum Wells

    DEFF Research Database (Denmark)

    Larionov, A. V.; Timofeev, V. B.; Ni, P. A.

    2002-01-01

    The luminescence of interwell excitons in double quantum wells GaAs/AlGaAs (n–i–n heterostructures) with large-scale fluctuations of random potential in the heteroboundary planes was studied. The properties of excitons whose photoexcited electron and hole are spatially separated in the neighboring...

  18. Exciton dephasing in ZnSe quantum wires

    DEFF Research Database (Denmark)

    Wagner, Hans Peter; Langbein, Wolfgang Werner; Hvam, Jørn Märcher

    1998-01-01

    The homogeneous linewidths of excitons in wet-etched ZnSe quantum wires of lateral sizes down to 23 nm are studied by transient four-wave mixing. The low-density dephasing time is found to increase with decreasing wire width. This is attributed mainly to a reduction of electron-exciton scattering...

  19. Magnetic excitons in singlet-ground-state ferromagnets

    DEFF Research Database (Denmark)

    Birgeneau, R.J.; Als-Nielsen, Jens Aage; Bucher, E.

    1971-01-01

    The authors report measurements of the dispersion of singlet-triplet magnetic excitons as a function of temperature in the singlet-ground-state ferromagnets fcc Pr and Pr3Tl. Well-defined excitons are observed in both the ferromagnetic and paramagnetic regions, but with energies which are nearly...

  20. Influence of structural defects on excitonic photoluminescence of pentacene

    International Nuclear Information System (INIS)

    Piryatins'kij, Yu.P.; Kurik, M.V.

    2011-01-01

    The exciton reflection, absorption, and photoluminescence spectra for single crystals and polycrystalline films have been studied in the temperature range of 4.2-296 K. A significant influence of structural defects arising during phase transitions on the exciton spectra of pentacene has been detected. The mechanisms of photoluminescence in single crystals and crystalline films of pentacene have been considered.

  1. Synthesis and Exciton Dynamics of Triplet Sensitized Conjugated Polymers

    KAUST Repository

    Andernach, Rolf; Utzat, Hendrik; Dimitrov, Stoichko; McCulloch, Iain; Heeney, Martin; Durrant, James; Bronstein, Hugo

    2015-01-01

    We report the synthesis of a novel polythiophene-based host-guest copolymer incorporating a Pt-porphyrin complex (TTP-Pt) into the backbone for efficient singlet to triplet polymer exciton sensitization. We elucidated the exciton dynamics in thin

  2. Bistable Topological Insulator with Exciton-Polaritons

    Science.gov (United States)

    Kartashov, Yaroslav V.; Skryabin, Dmitry V.

    2017-12-01

    The functionality of many nonlinear and quantum optical devices relies on the effect of optical bistability. Using microcavity exciton-polaritons in a honeycomb arrangement of microcavity pillars, we report the resonance response and bistability of topological edge states. A balance between the pump, loss, and nonlinearity ensures a broad range of dynamical stability and controls the distribution of power between counterpropagating states on the opposite edges of the honeycomb lattice stripe. Tuning energy and polarization of the pump photons, while keeping their momentum constant, we demonstrate control of the propagation direction of the dominant edge state. Our results facilitate the development of practical applications of topological photonics.

  3. Entangled exciton states in quantum dot molecules

    Science.gov (United States)

    Bayer, Manfred

    2002-03-01

    Currently there is strong interest in quantum information processing(See, for example, The Physics of Quantum Information, eds. D. Bouwmeester, A. Ekert and A. Zeilinger (Springer, Berlin, 2000).) in a solid state environment. Many approaches mimic atomic physics concepts in which semiconductor quantum dots are implemented as artificial atoms. An essential building block of a quantum processor is a gate which entangles the states of two quantum bits. Recently a pair of vertically aligned quantum dots has been suggested as optically driven quantum gate(P. Hawrylak, S. Fafard, and Z. R. Wasilewski, Cond. Matter News 7, 16 (1999).)(M. Bayer, P. Hawrylak, K. Hinzer, S. Fafard, M. Korkusinski, Z.R. Wasilewski, O. Stern, and A. Forchel, Science 291, 451 (2001).): The quantum bits are individual carriers either on dot zero or dot one. The different dot indices play the same role as a "spin", therefore we call them "isospin". Quantum mechanical tunneling between the dots rotates the isospin and leads to superposition of these states. The quantum gate is built when two different particles, an electron and a hole, are created optically. The two particles form entangled isospin states. Here we present spectrocsopic studies of single self-assembled InAs/GaAs quantum dot molecules that support the feasibility of this proposal. The evolution of the excitonic recombination spectrum with varying separation between the dots allows us to demonstrate coherent tunneling of carriers across the separating barrier and the formation of entangled exciton states: Due to the coupling between the dots the exciton states show a splitting that increases with decreasing barrier width. For barrier widths below 5 nm it exceeds the thermal energy at room temperature. For a given barrier width, we find only small variations of the tunneling induced splitting demonstrating a good homogeneity within a molecule ensemble. The entanglement may be controlled by application of electromagnetic field. For

  4. Quasiparticle energies, excitons, and optical spectra of few-layer black phosphorus

    International Nuclear Information System (INIS)

    Tran, Vy; Fei, Ruixiang; Yang, Li

    2015-01-01

    We report first-principles GW–Bethe–Salpeter-equation (BSE) studies of excited-state properties of few-layer black phosphorus (BP) (phosphorene). With improved GW computational methods, we obtained converged quasiparticle band gaps and optical absorption spectra by the single-shot (G 0 W 0 ) procedure. Moreover, we reveal fine structures of anisotropic excitons, including the series of one-dimensional like wave functions, spin singlet–triplet splitting, and electron–hole binding energy spectra by solving BSE. An effective-mass model is employed to describe these electron–hole pairs, shedding light on estimating the exciton binding energy of anisotropic two-dimensional semiconductors without expensive ab initio simulations. Finally, the anisotropic optical response of BP is explained by using optical selection rules based on the projected single-particle density of states at band edges. (paper)

  5. Lineshape theory of pigment-protein complexes: How the finite relaxation time of nuclei influences the exciton relaxation-induced lifetime broadening

    Energy Technology Data Exchange (ETDEWEB)

    Dinh, Thanh-Chung; Renger, Thomas, E-mail: thomas.renger@jku.at [Institut für Theoretische Physik, Johannes Kepler University Linz, Altenberger Str. 69, 4040 Linz (Austria)

    2016-07-21

    In pigment-protein complexes, often the excited states are partially delocalized and the exciton-vibrational coupling in the basis of delocalized states contains large diagonal and small off-diagonal elements. This inequality may be used to introduce potential energy surfaces (PESs) of exciton states and to treat the inter-PES coupling in Markov and secular approximations. The resulting lineshape function consists of a Lorentzian peak that is broadened by the finite lifetime of the exciton states caused by the inter-PES coupling and a vibrational sideband that results from the mutual displacement of the excitonic PESs with respect to that of the ground state. So far analytical expressions have been derived that relate the exciton relaxation-induced lifetime broadening to the Redfield [T. Renger and R. A. Marcus, J. Chem. Phys. 116, 9997 (2002)] or modified Redfield [M. Schröder, U. Kleinekathöfer, and M. Schreiber, J. Chem. Phys. 124, 084903 (2006)] rate constants of exciton relaxation, assuming that intra-PES nuclear relaxation is fast compared to inter-PES transfer. Here, we go beyond this approximation and provide an analytical expression, termed Non-equilibrium Modified Redfield (NeMoR) theory, for the lifetime broadening that takes into account the finite nuclear relaxation time. In an application of the theory to molecular dimers, we find that, for a widely used experimental spectral density of the exciton-vibrational coupling of pigment-protein complexes, the NeMoR spectrum at low-temperatures (T < 150 K) is better approximated by Redfield than by modified Redfield theory. At room temperature, the lifetime broadening obtained with Redfield theory underestimates the NeMoR broadening, whereas modified Redfield theory overestimates it by a similar amount. A fortuitous error compensation in Redfield theory is found to explain the good performance of this theory at low temperatures. Since steady state spectra of PPCs are often measured at low temperatures

  6. Magneto-exciton dephasing in a single quantum dot

    Science.gov (United States)

    Rodriguez, F. J.; Reyes, A.; Olaya-Castro, A.; Quiroga, L.

    2001-03-01

    Ultrafast spectroscopy experiments on single quantum dot (SQD) in magnetic fields provide a variety of unexpected results, one of them being the recently reported entanglement of exciton states. In order to explore the entanglement robustness, dephasing mechanisms must be considered. By calculating the non-linear time resolved optical spectrum of a SQD, we present a theoretical study on the exciton-exciton scattering contribution to the magneto-exciton dephasing time. Our results show that the time evolution of \\chi^(3) presents, under non-steady-state condition, a beating between the bound biexciton and the first unbound biexciton state in the strong confinement regime. The contribution coming from both left and right polarized emitted photons allows us to predict the creation of exciton entanglement, in agreement with recent experimental results. Previous theoretical works have only addressed the stationary optical response. By contrast, our results based on a full time dependent calculation show new features specially for the fast dephasing case.

  7. How to Draw Energy Level Diagrams in Excitonic Solar Cells.

    Science.gov (United States)

    Zhu, X-Y

    2014-07-03

    Emerging photovoltaic devices based on molecular and nanomaterials are mostly excitonic in nature. The initial absorption of a photon in these materials creates an exciton that can subsequently dissociate in each material or at their interfaces to give charge carriers. Any attempt at mechanistic understanding of excitonic solar cells must start with drawing energy level diagrams. This seemingly elementary exercise, which is described in textbooks for inorganic solar cells, has turned out to be a difficult subject in the literature. The problem stems from conceptual confusion of single-particle energy with quasi-particle energy and the misleading practice of mixing the two on the same energy level diagram. Here, I discuss how to draw physically accurate energy diagrams in excitonic solar cells using only single-particle energies (ionization potentials and electron affinities) of both ground and optically excited states. I will briefly discuss current understanding on the electronic energy landscape responsible for efficient charge separation in excitonic solar cells.

  8. Excitons in single-walled carbon nanotubes: environmental effect

    International Nuclear Information System (INIS)

    Smyrnov, O.A.

    2010-01-01

    The properties of excitons in semiconducting single-walled carbon nanotubes (SWCNTs) isolated in vacuum or a medium and their contributions to the optical spectra of nanotubes are studied within the elementary potential model, in which an exciton is represented as a bound state of two oppositely charged quasiparticles confined to the nanotube surface. The emphasis is given on the influence of the dielectric environment surrounding a nanotube on the exciton spectra. For nanotubes in the environment with a permittivity less than ∼ 1:8; the ground-state exciton binding energies exceed the respective energy gaps, whereas the obtained binding energies of excitons in nanotubes in a medium with permittivity greater than ∼ 4 are in good accordance with the corresponding experimental data and consistent with the known scaling relation for the environmental effect. The stabilization of a single-electron spectrum in SWCNTs in media with rather low permittivities is discussed.

  9. Vibrating minds

    CERN Multimedia

    2009-01-01

    Ed Witten is one of the leading scientists in the field of string theory, the theory that describes elementary particles as vibrating strings. This week he leaves CERN after having spent a few months here on sabbatical. His wish is that the LHC will unveil supersymmetry.

  10. Vibrational spectroscopy

    Science.gov (United States)

    Umesh P. Agarwal; Rajai Atalla

    2010-01-01

    Vibrational spectroscopy is an important tool in modern chemistry. In the past two decades, thanks to significant improvements in instrumentation and the development of new interpretive tools, it has become increasingly important for studies of lignin. This chapter presents the three important instrumental methods-Raman spectroscopy, infrared (IR) spectroscopy, and...

  11. PbSe Nanocrystal Excitonic Solar Cells

    KAUST Repository

    Choi, Joshua J.

    2009-11-11

    We report the design, fabrication, and characterization of colloidal PbSe nanocrystal (NC)-based photovoltaic test structures that exhibit an excitonic solar cell mechanism. Charge extraction from the NC active layer is driven by a photoinduced chemical potential energy gradient at the nanostructured heterojunction. By minimizing perturbation to PbSe NC energy levels and thereby gaining insight into the "intrinsic" photovoltaic properties and charge transfer mechanism of PbSe NC, we show a direct correlation between interfacial energy level offsets and photovoltaic device performance. Size dependent PbSe NC energy levels were determined by cyclic voltammetry and optical spectroscopy and correlated to photovoltaic measurements. Photovoltaic test structures were fabricated from PbSe NC films sandwiched between layers of ZnO nanoparticles and PEDOT:PSS as electron and hole transporting elements, respectively. The device current-voltage characteristics suggest a charge separation mechanism that Is distinct from previously reported Schottky devices and consistent with signatures of excitonic solar cells. Remarkably, despite the limitation of planar junction structure, and without film thickness optimization, the best performing device shows a 1-sun power conversion efficiency of 3.4%, ranking among the highest performing NC-based solar cells reported to date. © 2009 American Chemical Society.

  12. Exciton coherence in semiconductor quantum dots

    International Nuclear Information System (INIS)

    Ishi-Hayase, Junko; Akahane, Kouichi; Yamamoto, Naokatsu; Sasaki, Masahide; Kujiraoka, Mamiko; Ema, Kazuhiro

    2009-01-01

    The coherent dynamics of excitons in InAs quantum dots (QDs) was investigated in the telecommunication wavelength range using a transient four-wave mixing technique. The sample was fabricated on an InP(311)B substrate using strain compensation to control the emission wavelength. This technique also enabled us to fabricate a 150-layer stacked QD structure for obtaining a high S/N in the four-wave mixing measurements, although no high-sensitive heterodyne detection was carried out. The dephasing time and transition dipole moment were precisely estimated from the polarization dependence of signals, taking into account their anisotropic properties. The population lifetimes of the excitons were also measured by using a polarization-dependent pumpprobe technique. A quantitative comparison of these anisotropies demonstrates that in our QDs, non-radiative population relaxation, polarization relaxation and pure dephasing are considerably smaller than the radiative relaxation. A comparison of the results of the four-wave mixing and pump-probe measurements revealed that the pure dephasing could be directly estimated with an accuracy of greater than 0.1 meV by comparing the results of four-wave mixing and pump-probe measurements. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  13. Energy and Information Transfer Via Coherent Exciton Wave Packets

    Science.gov (United States)

    Zang, Xiaoning

    Electronic excitons are bound electron-hole states that are generated when light interacts with matter. Such excitations typically entangle with phonons and rapidly decohere; the resulting electronic state dynamics become diffusive as a result. However, if the exciton-phonon coupling can be reduced, it may be possible to construct excitonic wave packets that offer a means of efficiently transmitting information and energy. This thesis is a combined theory/computation investigation to design condensed matter systems which support the requisite coherent transport. Under the idealizing assumption that exciton-phonon entanglement could be completely suppressed, the majority of this thesis focuses on the creation and manipulation of exciton wave packets in quasi-one-dimensional systems. While each site could be a silicon quantum dot, the actual implementation focused on organic molecular assemblies for the sake of computational simplicity, ease of experimental implementation, potential for coherent transport, and promise because of reduced structural uncertainty. A laser design was derived to create exciton wave packets with tunable shape and speed. Quantum interference was then exploited to manipulate these packets to block, pass, and even dissociate excitons based on their energies. These developments allow exciton packets to be considered within the arena of quantum information science. The concept of controllable excitonic wave packets was subsequently extended to consider molecular designs that allow photons with orbital angular momentum to be absorbed to create excitons with a quasi-angular momentum of their own. It was shown that a well-defined measure of topological charge is conserved in such light-matter interactions. Significantly, it was also discovered that such molecules allow photon angular momenta to be combined and later emitted. This amounts to a new way of up/down converting photonic angular momentum without relying on nonlinear optical materials. The

  14. A study of the free vibration of suspension rod based on four-stage arm mechanism by using computer simulation

    Directory of Open Access Journals (Sweden)

    Melnychuk S.V.

    2016-08-01

    Full Text Available We analyze the current state of the prospects and problems of using computer technology to determine the operating parameters of movement of the vehicle. Scientific works related to the study of the properties of the vehicle smooth ride are studied. The following example shows that the modern researches of smooth ride do not pay enough attention to issues associated with the processes that occur in the suspension rod of a vehicle. Scientific works related to the choice of the optimal and simple CAD system for conducting computer simulation tests are overviewed. We developed an animating model of experimental car in SOLIDWORKS environment with the staff suspension rod and the suspension rod based on four-stage arm mechanism, which allows a wide range of tests of components of the vehicle. Methodology and hardware-software complex for testing a car are developed. A test of a vehicle of category N1 is conducted. A computer simulation of the motion of the smooth ride of the car with suspension rod based on four-stage arm mechanism is conducted. The comparative analysis of suspension rod performance based on four-stage arm mechanism is conducted.

  15. Theoretical and computational studies of excitons in conjugated polymers

    Science.gov (United States)

    Barford, William; Bursill, Robert J.; Smith, Richard W.

    2002-09-01

    We present a theoretical and computational analysis of excitons in conjugated polymers. We use a tight-binding model of π-conjugated electrons, with 1/r interactions for large r. In both the weak-coupling limit (defined by W>>U) and the strong-coupling limit (defined by Wparticle models. We compare these to density matrix renormalization group (DMRG) calculations, and find good agreement in the extreme limits. We use these analytical results to interpret the DMRG calculations in the intermediate-coupling regime (defined by W~U), most applicable to conjugated polymers. We make the following conclusions. (1) In the weak-coupling limit the bound states are Mott-Wannier excitons, i.e., conduction-band electrons bound to valence-band holes. Singlet and triplet excitons whose relative wave functions are odd under a reflection of the relative coordinate are degenerate. Thus, the 2 1A+g and 1 3A-g states are degenerate in this limit. (2) In the strong-coupling limit the bound states are Mott-Hubbard excitons, i.e., particles in the upper Hubbard band bound to holes in the lower Hubbard band. These bound states occur in doublets of even and odd parity excitons. Triplet excitons are magnons bound to the singlet excitons, and hence are degenerate with their singlet counterparts. (3) In the intermediate-coupling regime Mott-Wannier excitons are the more appropriate description for large dimerization, while for the undimerized chain Mott-Hubbard excitons are the correct description. For dimerizations relevant to polyacetylene and polydiacetylene both Mott-Hubbard and Mott-Wannier excitons are present. (4) For all coupling strengths an infinite number of bound states exist for 1/r interactions for an infinite polymer. As a result of the discreteness of the lattice and the restrictions on the exciton wave functions in one dimension, the progression of states does not follow the Rydberg series. In practice, excitons whose particle-hole separation exceeds the length of the polymer

  16. Excitonic effects and related properties in semiconductor nanostructures: roles of size and dimensionality

    Science.gov (United States)

    Wu, Shudong; Cheng, Liwen; Wang, Qiang

    2017-08-01

    The size- and dimensionality-dependence of excitonic effects and related properties in semiconductor nanostructures are theoretically studied in detail within the effective-mass approximation. When nanostructure sizes become smaller than the bulk exciton Bohr radius, excitonic effects are significantly enhanced with reducing size or dimensionality. This is as a result of quantum confinement in more directions leading to larger exciton binding energies and normalized exciton oscillator strengths. These excitonic effects originate from electron-hole Coulombic interactions, which strongly enhance the oscillator strength between the electron and hole. It is also established that the universal scaling of exciton binding energy versus the inverse of the exciton Bohr radius follows a linear scaling law. Herein, we propose a stretched exponential law for the size scaling of optical gap, which is in good agreement with the calculated data. Due to differences in the confinement dimensionality, the radiative lifetime of low-dimensional excitons becomes shorter than that of bulk excitons. The size dependence of the exciton radiative lifetimes is in good agreement with available experimental data. This strongly enhanced electron-hole exchange interaction is expected in low-dimensional structures due to enriched excitonic effects. The main difference in nanostructures compared to the bulk can be interpreted in terms of the enhanced excitonic effects induced by exciton localization. The enhanced excitonic effects are expected to be of importance in developing stable and high-efficiency nanoscale excitonic optoelectronic devices.

  17. Synthesis and Exciton Dynamics of Triplet Sensitized Conjugated Polymers

    KAUST Repository

    Andernach, Rolf

    2015-07-22

    We report the synthesis of a novel polythiophene-based host-guest copolymer incorporating a Pt-porphyrin complex (TTP-Pt) into the backbone for efficient singlet to triplet polymer exciton sensitization. We elucidated the exciton dynamics in thin films of the material by means of Transient Absorption Spectrosopcy (TAS) on multiple timescales and investigated the mechanism of triplet exciton formation. During sensitization, single exciton diffusion is followed by exciton transfer from the polymer backbone to the complex where it undergoes intersystem crossing to the triplet state of the complex. We directly monitored the triplet exciton back transfer from the Pt-porphyrin to the polymer and find that 60% of the complex triplet excitons are transferred with a time constant of 1087 ps. We propose an equilibrium between polymer and porphyrin triplet states as a result of the low triplet diffusion length in the polymer backbone and hence an increased local triplet population resulting in increased triplet-triplet annihilation. This novel system has significant implications for the design of novel materials for triplet sensitized solar cells and up-conversion layers.

  18. Interlayer excitons in a bulk van der Waals semiconductor.

    Science.gov (United States)

    Arora, Ashish; Drüppel, Matthias; Schmidt, Robert; Deilmann, Thorsten; Schneider, Robert; Molas, Maciej R; Marauhn, Philipp; Michaelis de Vasconcellos, Steffen; Potemski, Marek; Rohlfing, Michael; Bratschitsch, Rudolf

    2017-09-21

    Bound electron-hole pairs called excitons govern the electronic and optical response of many organic and inorganic semiconductors. Excitons with spatially displaced wave functions of electrons and holes (interlayer excitons) are important for Bose-Einstein condensation, superfluidity, dissipationless current flow, and the light-induced exciton spin Hall effect. Here we report on the discovery of interlayer excitons in a bulk van der Waals semiconductor. They form due to strong localization and spin-valley coupling of charge carriers. By combining high-field magneto-reflectance experiments and ab initio calculations for 2H-MoTe 2 , we explain their salient features: the positive sign of the g-factor and the large diamagnetic shift. Our investigations solve the long-standing puzzle of positive g-factors in transition metal dichalcogenides, and pave the way for studying collective phenomena in these materials at elevated temperatures.Excitons, quasi-particles of bound electron-hole pairs, are at the core of the optoelectronic properties of layered transition metal dichalcogenides. Here, the authors unveil the presence of interlayer excitons in bulk van der Waals semiconductors, arising from strong localization and spin-valley coupling of charge carriers.

  19. Excitons in InP/InAs inhomogeneous quantum dots

    International Nuclear Information System (INIS)

    Assaid, E; Feddi, E; Khamkhami, J El; Dujardin, F

    2003-01-01

    Wannier excitons confined in an InP/InAs inhomogeneous quantum dot (IQD) have been studied theoretically in the framework of the effective mass approximation. A finite-depth potential well has been used to describe the effect of the quantum confinement in the InAs layer. The exciton binding energy has been determined using the Ritz variational method. The spatial correlation between the electron and the hole has been taken into account in the expression for the wavefunction. It has been shown that for a fixed size b of the IQD, the exciton binding energy depends strongly on the core radius a. Moreover, it became apparent that there are two critical values of the core radius, a crit and a 2D , for which important changes of the exciton binding occur. The former critical value, a crit , corresponds to a minimum of the exciton binding energy and may be used to distinguish between tridimensional confinement and bidimensional confinement. The latter critical value, a 2D , corresponds to a maximum of the exciton binding energy and to the most pronounced bidimensional character of the exciton

  20. Exciton binding energy in a pyramidal quantum dot

    Science.gov (United States)

    Anitha, A.; Arulmozhi, M.

    2018-05-01

    The effects of spatially dependent effective mass, non-parabolicity of the conduction band and dielectric screening function on exciton binding energy in a pyramid-shaped quantum dot of GaAs have been investigated by variational method as a function of base width of the pyramid. We have assumed that the pyramid has a square base with area a× a and height of the pyramid H=a/2. The trial wave function of the exciton has been chosen according to the even mirror boundary condition, i.e. the wave function of the exciton at the boundary could be non-zero. The results show that (i) the non-parabolicity of the conduction band affects the light hole (lh) and heavy hole (hh) excitons to be more bound than that with parabolicity of the conduction band, (ii) the dielectric screening function (DSF) affects the lh and hh excitons to be more bound than that without the DSF and (iii) the spatially dependent effective mass (SDEM) affects the lh and hh excitons to be less bound than that without the SDEM. The combined effects of DSF and SDEM on exciton binding energy have also been calculated. The results are compared with those available in the literature.

  1. Bright triplet excitons in caesium lead halide perovskites

    Science.gov (United States)

    Becker, Michael A.; Vaxenburg, Roman; Nedelcu, Georgian; Sercel, Peter C.; Shabaev, Andrew; Mehl, Michael J.; Michopoulos, John G.; Lambrakos, Samuel G.; Bernstein, Noam; Lyons, John L.; Stöferle, Thilo; Mahrt, Rainer F.; Kovalenko, Maksym V.; Norris, David J.; Rainò, Gabriele; Efros, Alexander L.

    2018-01-01

    Nanostructured semiconductors emit light from electronic states known as excitons. For organic materials, Hund’s rules state that the lowest-energy exciton is a poorly emitting triplet state. For inorganic semiconductors, similar rules predict an analogue of this triplet state known as the ‘dark exciton’. Because dark excitons release photons slowly, hindering emission from inorganic nanostructures, materials that disobey these rules have been sought. However, despite considerable experimental and theoretical efforts, no inorganic semiconductors have been identified in which the lowest exciton is bright. Here we show that the lowest exciton in caesium lead halide perovskites (CsPbX3, with X = Cl, Br or I) involves a highly emissive triplet state. We first use an effective-mass model and group theory to demonstrate the possibility of such a state existing, which can occur when the strong spin-orbit coupling in the conduction band of a perovskite is combined with the Rashba effect. We then apply our model to CsPbX3 nanocrystals, and measure size- and composition-dependent fluorescence at the single-nanocrystal level. The bright triplet character of the lowest exciton explains the anomalous photon-emission rates of these materials, which emit about 20 and 1,000 times faster than any other semiconductor nanocrystal at room and cryogenic temperatures, respectively. The existence of this bright triplet exciton is further confirmed by analysis of the fine structure in low-temperature fluorescence spectra. For semiconductor nanocrystals, which are already used in lighting, lasers and displays, these excitons could lead to materials with brighter emission. More generally, our results provide criteria for identifying other semiconductors that exhibit bright excitons, with potential implications for optoelectronic devices.

  2. Reconstructing Space- and Energy-Dependent Exciton Generation in Solution-Processed Inverted Organic Solar Cells.

    Science.gov (United States)

    Wang, Yuheng; Zhang, Yajie; Lu, Guanghao; Feng, Xiaoshan; Xiao, Tong; Xie, Jing; Liu, Xiaoyan; Ji, Jiahui; Wei, Zhixiang; Bu, Laju

    2018-04-25

    Photon absorption-induced exciton generation plays an important role in determining the photovoltaic properties of donor/acceptor organic solar cells with an inverted architecture. However, the reconstruction of light harvesting and thus exciton generation at different locations within organic inverted device are still not well resolved. Here, we investigate the film depth-dependent light absorption spectra in a small molecule donor/acceptor film. Including depth-dependent spectra into an optical transfer matrix method allows us to reconstruct both film depth- and energy-dependent exciton generation profiles, using which short-circuit current and external quantum efficiency of the inverted device are simulated and compared with the experimental measurements. The film depth-dependent spectroscopy, from which we are able to simultaneously reconstruct light harvesting profile, depth-dependent composition distribution, and vertical energy level variations, provides insights into photovoltaic process. In combination with appropriate material processing methods and device architecture, the method proposed in this work will help optimizing film depth-dependent optical/electronic properties for high-performance solar cells.

  3. Exciton-dopant and exciton-charge interactions in electronically doped OLEDs

    International Nuclear Information System (INIS)

    Williams, Christopher; Lee, Sergey; Ferraris, John; Zakhidov, A. Anvar

    2004-01-01

    The electronic dopants, like tetrafluorocyanoquinodimethane (F 4 -TCNQ) molecules, used for p-doping of hole transport layers in organic light-emitting diodes (OLEDs) are found to quench the electroluminescence (EL) if they diffuse into the emissive layer. We observed EL quenching in OLED with F 4 -TCNQ doped N,N'-diphenyl-N'N'-bis(1-naphthyl)-1,1'-biphenyl-4,4'-diamine hole transport layer at large dopant concentrations, >5%. To separate the effects of exciton-dopant quenching, from exciton-polaron quenching we have intentionally doped the emissive layer of (8-tris-hydroxyquinoline) with three acceptors (A) of different electron affinities: F 4 -TCNQ, TCNQ, and C 60 , and found that C 60 is the strongest EL-quencher, while F 4 -TCNQ is the weakest, contrary to intuitive expectations. The new effects of charge transfer and usually considered energy transfer from exciton to neutral (A) and charged acceptors (A - ) are compared as channels for non-radiative Ex-A decay. At high current loads the EL quenching is observed, which is due to decay of Ex on free charge carriers, hole polarons P + . We consider contributions to Ex-P + interaction by short-range charge transfer and describe the structure of microscopic charge transfer (CT)-processes responsible for it. The formation of metastable states of 'charged excitons' (predicted and studied by Agranovich et al. Chem. Phys. 272 (2001) 159) by electron transfer from a P to an Ex is pointed out, and ways to suppress non-radiative Ex-P decay are suggested

  4. Ordered Dissipative Structures in Exciton Systems in Semiconductor Quantum Wells

    Directory of Open Access Journals (Sweden)

    Andrey A. Chernyuk

    2006-02-01

    Full Text Available A phenomenological theory of exciton condensation in conditions of inhomogeneous excitation is proposed. The theory is applied to the study of the development of an exciton luminescence ring and the ring fragmentation at macroscopical distances from the central excitation spot in coupled quantum wells. The transition between the fragmented and the continuous ring is considered. With assumption of a defect in the structure, a possibility of a localized island of the condensed phase in a fixed position is shown. Exciton density distribution is also analyzed in the case of two spatially separated spots of the laser excitation.

  5. Ultrafast electric phase control of a single exciton qubit

    Science.gov (United States)

    Widhalm, Alex; Mukherjee, Amlan; Krehs, Sebastian; Sharma, Nandlal; Kölling, Peter; Thiede, Andreas; Reuter, Dirk; Förstner, Jens; Zrenner, Artur

    2018-03-01

    We report on the coherent phase manipulation of quantum dot excitons by electric means. For our experiments, we use a low capacitance single quantum dot photodiode which is electrically controlled by a custom designed SiGe:C BiCMOS chip. The phase manipulation is performed and quantified in a Ramsey experiment, where ultrafast transient detuning of the exciton energy is performed synchronous to double pulse π/2 ps laser excitation. We are able to demonstrate electrically controlled phase manipulations with magnitudes up to 3π within 100 ps which is below the dephasing time of the quantum dot exciton.

  6. Photogenerated Exciton Dissociation in Highly Coupled Lead Salt Nanocrystal Assemblies

    KAUST Repository

    Choi, Joshua J.; Luria, Justin; Hyun, Byung-Ryool; Bartnik, Adam C.; Sun, Liangfeng; Lim, Yee-Fun; Marohn, John A.; Wise, Frank W.; Hanrath, Tobias

    2010-01-01

    Internanocrystal coupling induced excitons dissociation in lead salt nanocrystal assemblies is investigated. By combining transient photoluminescence spectroscopy, grazing incidence small-angle X-ray scattering, and time-resolved electric force microscopy, we show that excitons can dissociate, without the aid of an external bias or chemical potential gradient, via tunneling through a potential barrier when the coupling energy is comparable to the exciton binding energy. Our results have important implications for the design of nanocrystal-based optoelectronic devices. © 2010 American Chemical Society.

  7. Excitonic AND Logic Gates on DNA Brick Nanobreadboards

    Science.gov (United States)

    2015-01-01

    A promising application of DNA self-assembly is the fabrication of chromophore-based excitonic devices. DNA brick assembly is a compelling method for creating programmable nanobreadboards on which chromophores may be rapidly and easily repositioned to prototype new excitonic devices, optimize device operation, and induce reversible switching. Using DNA nanobreadboards, we have demonstrated each of these functions through the construction and operation of two different excitonic AND logic gates. The modularity and high chromophore density achievable via this brick-based approach provide a viable path toward developing information processing and storage systems. PMID:25839049

  8. Observation of surface excitons in rare gas solids

    International Nuclear Information System (INIS)

    Saile, V.; Skibowski, M.; Steinmann, W.; Guertler, P.; Koch, E.E.; Kozevnikov, A.

    1976-04-01

    Evidence is obtained for the excitation of surface excitons in solid Ar, Kr and Xe in optical transmission and reflection experiments using synchrotron radiation. They are located at photon energies ranging from 0.6 eV for Ar to 0.1 eV for Xe below the corresponding bulk excitons excited from the valence bands. Their halfwidths (20-50 MeV) is less than half the values found for the bulk excitons. Some are split by an amount considerably smaller than the spin orbit splitting of the valence bands. (orig.) [de

  9. Photogenerated Exciton Dissociation in Highly Coupled Lead Salt Nanocrystal Assemblies

    KAUST Repository

    Choi, Joshua J.

    2010-05-12

    Internanocrystal coupling induced excitons dissociation in lead salt nanocrystal assemblies is investigated. By combining transient photoluminescence spectroscopy, grazing incidence small-angle X-ray scattering, and time-resolved electric force microscopy, we show that excitons can dissociate, without the aid of an external bias or chemical potential gradient, via tunneling through a potential barrier when the coupling energy is comparable to the exciton binding energy. Our results have important implications for the design of nanocrystal-based optoelectronic devices. © 2010 American Chemical Society.

  10. Multi-Excitonic Quantum Dot Molecules

    Science.gov (United States)

    Scheibner, M.; Stinaff, E. A.; Doty, M. F.; Ware, M. E.; Bracker, A. S.; Gammon, D.; Ponomarev, I. V.; Reinecke, T. L.; Korenev, V. L.

    2006-03-01

    With the ability to create coupled pairs of quantum dots, the next step towards the realization of semiconductor based quantum information processing devices can be taken. However, so far little knowledge has been gained on these artificial molecules. Our photoluminescence experiments on single InAs/GaAs quantum dot molecules provide the systematics of coupled quantum dots by delineating the spectroscopic features of several key charge configurations in such quantum systems, including X, X^+,X^2+, XX, XX^+ (with X being the neutral exciton). We extract general rules which determine the formation of molecular states of coupled quantum dots. These include the fact that quantum dot molecules provide the possibility to realize various spin configurations and to switch the electron hole exchange interaction on and off by shifting charges inside the molecule. This knowledge will be valuable in developing implementations for quantum information processing.

  11. Exciton transfer under dichotomic noise: GME treatment

    International Nuclear Information System (INIS)

    Barvik, I.; Warns, C.; Reineker, P.

    1995-08-01

    The exciton energy transfer between molecules in a dimer is investigated using a model, in which the influence of the phonons is described by a dichotomic stochastic process with colored noise giving rise to modulations of the molecular excitation energies. The solution of equations of motion for the density matrix of the system (obtained algebraically on a computer) is used to determine (also algebraically) the form of the memory functions which enter the Generalized Master Equation. The behaviour of the roots and their weights in the memory function is discussed thoroughly. Connection of the so called coherence time to stochastic parameters is treated analytically. Different limiting cases are investigated. (author). 14 refs, 9 figs

  12. On the neutron noise diagnostics of pressurized water reactor control rod vibrations II. Stochastic vibrations

    International Nuclear Information System (INIS)

    Pazsit, I.; Glockler, O.

    1984-01-01

    In an earlier publication, using the theory of neutron fluctuations induced by a vibrating control rod, a complete formal solution of rod vibration diagnostics based on neutron noise measurements was given in terms of Fourier-transformed neutron detector time signals. The suggested procedure was checked in numerical simulation tests where only periodic vibrations could be considered. The procedure and its numerical testing are elaborated for stochastic two-dimensional vibrations. A simple stochastic theory of two-dimensional flow-induced vibrations is given; then the diagnostic method is formulated in the stochastic case, that is, in terms of neutron detector auto- and crosspower spectra. A previously suggested approximate rod localization technique is also formulated in the stochastic case. Applicability of the methods is then investigated in numerical simulation tests, using the proposed model of stochastic two-dimensional vibrations when generating neutron detector spectra that simulate measured data

  13. Conformation-related exciton localization and charge-pair formation in polythiophenes: ensemble and single-molecule study.

    Science.gov (United States)

    Sugimoto, Toshikazu; Habuchi, Satoshi; Ogino, Kenji; Vacha, Martin

    2009-09-10

    We study conformation-dependent photophysical properties of polythiophene (PT) by molecular dynamics simulations and by ensemble and single-molecule optical experiments. We use a graft copolymer consisting of a polythiophene backbone and long polystyrene branches and compare its properties with those obtained on the same polythiophene derivative without the side chains. Coarse-grain molecular dynamics simulations show that in a poor solvent, the PT without the side chains (PT-R) forms a globulelike conformation in which distances between any two conjugated segments on the chain are within the Forster radius for efficient energy transfer. In the PT with the polystyrene branches (PT-PS), the polymer main PT chain retains an extended coillike conformation, even in a poor solvent, and the calculated distances between conjugated segments favor energy transfer only between a few neighboring chromophores. The theoretical predictions are confirmed by measurements of fluorescence anisotropy and fluorescence blinking of the polymers' single chains. High anisotropy ratios and two-state blinking in PT-R are due to localization of the exciton on a single conjugated segment. These signatures of exciton localization are absent in single chains of PT-PS. Electric-field-induced quenching measured as a function of concentration of PT dispersed in an inert matrix showed that in well-isolated chains of PT-PS, the exciton dissociation is an intrachain process and that aggregation of the PT-R chains causes an increase in quenching due to the onset of interchain interactions. Measurements of the field-induced quenching on single chains indicate that in PT-R, the exciton dissociation is a slower process that takes place only after the exciton is localized on one conjugated segment.

  14. Signatures of correlated excitonic dynamics in two-dimensional spectroscopy of the Fenna-Matthew-Olson photosynthetic complex

    International Nuclear Information System (INIS)

    Caram, Justin R.; Lewis, Nicholas H. C.; Fidler, Andrew F.; Engel, Gregory S.

    2012-01-01

    Long-lived excitonic coherence in photosynthetic proteins has become an exciting area of research because it may provide design principles for enhancing the efficiency of energy transfer in a broad range of materials. In this publication, we provide new evidence that long-lived excitonic coherence in the Fenna-Mathew-Olson pigment-protein (FMO) complex is consistent with the assumption of cross correlation in the site basis, indicating that each site shares bath fluctuations. We analyze the structure and character of the beating crosspeak between the two lowest energy excitons in two-dimensional (2D) electronic spectra of the FMO Complex. To isolate this dynamic signature, we use the two-dimensional linear prediction Z-transform as a platform for filtering coherent beating signatures within 2D spectra. By separating signals into components in frequency and decay rate representations, we are able to improve resolution and isolate specific coherences. This strategy permits analysis of the shape, position, character, and phase of these features. Simulations of the crosspeak between excitons 1 and 2 in FMO under different regimes of cross correlation verify that statistically independent site fluctuations do not account for the elongation and persistence of the dynamic crosspeak. To reproduce the experimental results, we invoke near complete correlation in the fluctuations experienced by the sites associated with excitons 1 and 2. This model contradicts ab initio quantum mechanic/molecular mechanics simulations that observe no correlation between the energies of individual sites. This contradiction suggests that a new physical model for long-lived coherence may be necessary. The data presented here details experimental results that must be reproduced for a physical model of quantum coherence in photosynthetic energy transfer.

  15. Modulational instabilities in acetanilide taking into account both the N-H and the C=O vibrational self-trappings

    International Nuclear Information System (INIS)

    Simo, Elie

    2007-01-01

    A model of crystalline acetanilide, ACN accounting for the C=O and N-H vibrational self-trappings is presented. We develop a fully discrete version of ACN. We show that ACN can be described by a set of two coupled discrete nonlinear Schroedinger (DNLS) equations. Modulational instabilities (MI) are studied both theoretically and numerically. Dispersion laws for the wavenumbers and frequencies of the linear modulation waves are determined. We also derived the criterion for the existence of MI. Numerical simulations are carried out for a variety of selected wave amplitudes in the unstable zone. It is shown that instabilities grow as the wavenumbers and amplitudes of the modulated waves increase. MI grow faster in the N-H mode than in the C=O mode. Temporal evolution of the density probabilities of the vibrational excitons are obtained by the numerical integration of the coupled DNLS equations governing the ACN molecule. These investigations confirm the generation of localized modes by the phenomenon of MI and the predominance of the N-H vibrational mode in the MI process of the ACN

  16. Modulational instabilities in acetanilide taking into account both the N-H and the C=O vibrational self-trappings

    International Nuclear Information System (INIS)

    Simo, E.

    2005-10-01

    A model of crystalline acetanilide, ACN accounting for the C=O and N-H vibrational self-trappings is presented. We develop a fully discrete version of ACN. We show that acetanilide can be described by a set of two coupled discrete nonlinear Schroedinger (DNLS) equations. Modulational instabilities (MI) are studied both theoretically and numerically. Dispersion laws for the wave numbers and frequencies of the linear modulation waves are determined. We also derived the criterion for the existence of MI. Numerical simulations are carried out for a variety of selected wave amplitudes in the unstable zone. It is shown that instabilities grow as the wave numbers and amplitudes of the modulated waves increase. MI grow faster in the N-H mode than in the C=O mode. Temporal evolution of the density probabilities of the vibrational excitons are obtained by the numerical integration of the coupled DNLS equations governing the ACN molecule. These investigations confirm the generation of localized modes by the phenomenon of MI and the predominance of the N-H vibrational mode in the MI process of the acetanilide. (author)

  17. Modulational instabilities in acetanilide taking into account both the N-H and the C=O vibrational self-trappings

    Energy Technology Data Exchange (ETDEWEB)

    Simo, Elie [Departement de Physique, Faculte des Sciences, Universite de Yaoune I, B.P. 812 Yaounde (Cameroon)

    2007-02-15

    A model of crystalline acetanilide, ACN accounting for the C=O and N-H vibrational self-trappings is presented. We develop a fully discrete version of ACN. We show that ACN can be described by a set of two coupled discrete nonlinear Schroedinger (DNLS) equations. Modulational instabilities (MI) are studied both theoretically and numerically. Dispersion laws for the wavenumbers and frequencies of the linear modulation waves are determined. We also derived the criterion for the existence of MI. Numerical simulations are carried out for a variety of selected wave amplitudes in the unstable zone. It is shown that instabilities grow as the wavenumbers and amplitudes of the modulated waves increase. MI grow faster in the N-H mode than in the C=O mode. Temporal evolution of the density probabilities of the vibrational excitons are obtained by the numerical integration of the coupled DNLS equations governing the ACN molecule. These investigations confirm the generation of localized modes by the phenomenon of MI and the predominance of the N-H vibrational mode in the MI process of the ACN.

  18. SIMULATION OF FORWARD AND BACKWARD WAVES EVOLUTION OF FEW-CYCLE PULSES PROPAGATING IN AN OPTICAL WAVEGUIDE WITH DISPERSION AND CUBIC NONLINEARITY OF ELECTRONIC AND ELECTRONIC-VIBRATION NATURE

    Directory of Open Access Journals (Sweden)

    L. S. Konev

    2015-09-01

    Full Text Available Numerical method for calculation of forward and backward waves of intense few-cycle laser pulses propagating in an optical waveguide with dispersion and cubic nonlinearity of electronic and electronic-vibration nature is described. Simulations made with the implemented algorithm show that accounting for Raman nonlinearity does not lead to qualitative changes in behavior of the backward wave. Speaking about quantitative changes, the increase of efficiency of energy transfer from the forward wave to the backward wave is observed. Presented method can be also used to simulate interaction of counterpropagating pulses.

  19. Optical Selection Rule of Excitons in Gapped Chiral Fermion Systems

    Science.gov (United States)

    Zhang, Xiaoou; Shan, Wen-Yu; Xiao, Di

    2018-02-01

    We show that the exciton optical selection rule in gapped chiral fermion systems is governed by their winding number w , a topological quantity of the Bloch bands. Specifically, in a CN-invariant chiral fermion system, the angular momentum of bright exciton states is given by w ±1 +n N with n being an integer. We demonstrate our theory by proposing two chiral fermion systems capable of hosting dark s -like excitons: gapped surface states of a topological crystalline insulator with C4 rotational symmetry and biased 3 R -stacked MoS2 bilayers. In the latter case, we show that gating can be used to tune the s -like excitons from bright to dark by changing the winding number. Our theory thus provides a pathway to electrical control of optical transitions in two-dimensional material.

  20. Hopping approach towards exciton dissociation in conjugated polymers

    International Nuclear Information System (INIS)

    Emelianova, E. V.; Auweraer, M. van der; Baessler, H.

    2008-01-01

    By employing random walk an analytic theory for the dissociation of singlet excitons in a random organic solid, for instance, a conjugated polymer, has been developed. At variance of conventional three-dimensional Onsager theory, it is assumed that an exciton with finite lifetime can first transfer endothermically an electron to an adjacent site, thereby generating a charge transfer state whose energy is above the energy of that of the initial exciton. In a second step the latter can fully dissociate in accordance with Onsager's concept Brownian motion. The results indicate that, depending of the energy required for the first jump, the first jump contributes significantly to the field dependence of the dissociation yield. Disorder weakens the temperature dependence of the yield dramatically and precludes extracting information on the exciton binding energy from it

  1. Excitons in van der Waals Heterostructures: A theoretical study

    DEFF Research Database (Denmark)

    Latini, Simone

    )electronics devices, e.g. light emitting diodes, solar cells, ultra-fast photodetectors, transistors etc., have been successfully fabricated. It is well established that for isolated 2D semiconductors and vdWHs the optical response is governed by excitonic effects. While it is understood that the reduced amount...... of electronic screening in freestanding 2D materials is the main origin of extraordinarily strongly bound excitons, a theoretical understanding of excitonic effects and of how the electronic screening is affected for the more complex case of multi-layer structures is still lacking due to the computational...... in a generalized hydrogenic model to compute exciton binding energies in isolated, supported, or encapsulated 2D semiconductors. The non-locality of the dielectric screening is inherently included in our method and we can successfully describe the non-hydrogenic Rydberg series of low-dimensional systems...

  2. Excitonic condensation in systems of strongly correlated electrons

    Czech Academy of Sciences Publication Activity Database

    Kuneš, Jan

    2015-01-01

    Roč. 27, č. 33 (2015), s. 333201 ISSN 0953-8984 Institutional support: RVO:68378271 Keywords : electronic correlations * exciton * Bose-Einstein condensation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.209, year: 2015

  3. The effect of excitons on CdTe solar cells

    International Nuclear Information System (INIS)

    Karazhanov, S. Zh.; Zhang, Y.; Mascarenhas, A.; Deb, S.

    2000-01-01

    Temperature and doping-level dependence of CdTe solar cells is investigated, taking into account the involvement of excitons on photocurrent transport. We show that the density of excitons in CdTe is comparable with that of minority carriers at doping levels ≥10 15 cm -3 . From the investigation of the dark-saturation current, we show that the product of electron and hole concentrations at equilibrium is several orders of magnitude more than the square of the intrinsic carrier concentration. With this assumption, we have studied the effect of excitons on CdTe solar cells, and the effect is negative. CdTe solar cell performance with excitons included agrees well with existing experimental results. (c) 2000 American Institute of Physics

  4. Decoherence suppression of excitons by bang-bang control

    International Nuclear Information System (INIS)

    Kishimoto, T.; Hasegawa, A.; Mitsumori, Y.; Ishi-Hayase, J.; Sasaki, M.; Minami, F.

    2007-01-01

    We report the demonstration of decoherence control of excitons on a layered compound semiconductor GaSe by using successive three femtosecond pulses, i.e., the six-wave mixing configuration. The second pulse acts as a π pulse which reverses the time evolution of non-Markovian dynamics. By changing the pulse interval conditions, we confirmed for the first time the suppression of exciton decoherence by π pulse irradiation

  5. Excitonic quantum interference in a quantum dot chain with rings.

    Science.gov (United States)

    Hong, Suc-Kyoung; Nam, Seog Woo; Yeon, Kyu-Hwang

    2008-04-16

    We demonstrate excitonic quantum interference in a closely spaced quantum dot chain with nanorings. In the resonant dipole-dipole interaction model with direct diagonalization method, we have found a peculiar feature that the excitation of specified quantum dots in the chain is completely inhibited, depending on the orientational configuration of the transition dipole moments and specified initial preparation of the excitation. In practice, these excited states facilitating quantum interference can provide a conceptual basis for quantum interference devices of excitonic hopping.

  6. Quantum condensation from a tailored exciton population in a microcavity

    International Nuclear Information System (INIS)

    Eastham, P. R.; Phillips, R. T.

    2009-01-01

    An experiment is proposed on the coherent quantum dynamics of a semiconductor microcavity containing quantum dots. Modeling the experiment using a generalized Dicke model, we show that a tailored excitation pulse can create an energy-dependent population of excitons, which subsequently evolves to a quantum condensate of excitons and photons. The population is created by a generalization of adiabatic rapid passage and then condenses due to a dynamical analog of the BCS instability.

  7. One dimensional models of excitons in carbon nanotubes

    DEFF Research Database (Denmark)

    Cornean, Horia Decebal; Duclos, P.; Pedersen, Thomas Garm

    Excitons in carbon nanotubes may be modeled by two oppositely charged particles living on the surface of a cylinder. We derive three one dimensional effective Hamiltonians which become exact as the radius of the cylinder vanishes. Two of them are solvable.......Excitons in carbon nanotubes may be modeled by two oppositely charged particles living on the surface of a cylinder. We derive three one dimensional effective Hamiltonians which become exact as the radius of the cylinder vanishes. Two of them are solvable....

  8. Exciton-plasmon coupling interactions: from principle to applications

    Science.gov (United States)

    Cao, En; Lin, Weihua; Sun, Mengtao; Liang, Wenjie; Song, Yuzhi

    2018-01-01

    The interaction of exciton-plasmon coupling and the conversion of exciton-plasmon-photon have been widely investigated experimentally and theoretically. In this review, we introduce the exciton-plasmon interaction from basic principle to applications. There are two kinds of exciton-plasmon coupling, which demonstrate different optical properties. The strong exciton-plasmon coupling results in two new mixed states of light and matter separated energetically by a Rabi splitting that exhibits a characteristic anticrossing behavior of the exciton-LSP energy tuning. Compared to strong coupling, such as surface-enhanced Raman scattering, surface plasmon (SP)-enhanced absorption, enhanced fluorescence, or fluorescence quenching, there is no perturbation between wave functions; the interaction here is called the weak coupling. SP resonance (SPR) arises from the collective oscillation induced by the electromagnetic field of light and can be used for investigating the interaction between light and matter beyond the diffraction limit. The study on the interaction between SPR and exaction has drawn wide attention since its discovery not only due to its contribution in deepening and broadening the understanding of SPR but also its contribution to its application in light-emitting diodes, solar cells, low threshold laser, biomedical detection, quantum information processing, and so on.

  9. Excitonic effects in the luminescence of quantum wells

    International Nuclear Information System (INIS)

    Deveaud, B.; Kappei, L.; Berney, J.; Morier-Genoud, F.; Portella-Oberli, M.T.; Szczytko, J.; Piermarocchi, C.

    2005-01-01

    We report on the origin of the excitonic luminescence in quantum wells. This study is carried out by time-resolved photoluminescence experiments performed on a very high-quality InGaAs quantum well sample in which the photoluminescence contributions at the energy of the exciton and at the band edge can be clearly separated and traced over a broad range of times and densities. This allows us to compare the two conflicting theoretical approaches to the question of the origin of the excitonic luminescence in quantum wells: the model of the exciton population and the model of the Coulomb correlated plasma. We measure the exciton formation time and we show the fast exciton formation and its dependence with carrier density. We are also able to give the boundaries of the Mott transition in our system, and to show the absence of observable renormalization of the gap below the onset of this transition. We detail the characteristics of the trion formation and evidence the possible formation of both positive and negative trions in the absence of any resident free carrier populations

  10. Acousto-exciton interaction in a gas of 2D indirect dipolar excitons in the presence of disorder

    Energy Technology Data Exchange (ETDEWEB)

    Kovalev, V. M.; Chaplik, A. V., E-mail: chaplik@isp.nsc.ru [Russian Academy of Sciences, Rzhanov Institute of Semiconductor Physics, Siberian Branch (Russian Federation)

    2016-03-15

    A theory for the linear and quadratic responses of a 2D gas of indirect dipolar excitons to an external surface acoustic wave perturbation in the presence of a static random potential is considered. The theory is constructed both for high temperatures, definitely greater than the exciton gas condensation temperature, and at zero temperature by taking into account the Bose–Einstein condensation effects. The particle Green functions, the density–density correlation function, and the quadratic response function are calculated by the “cross” diagram technique. The results obtained are used to calculate the absorption of Rayleigh surface waves and the acoustic exciton gas drag by a Rayleigh wave. The damping of Bogoliubov excitations in an exciton condensate due to theirs scattering by a random potential has also been determined.

  11. Vibrational stability of graphene

    Directory of Open Access Journals (Sweden)

    Yangfan Hu

    2013-05-01

    Full Text Available The mechanical stability of graphene as temperature rises is analyzed based on three different self-consistent phonon (SCP models. Compared with three-dimensional (3-D materials, the critical temperature Ti at which instability occurs for graphene is much closer to its melting temperature Tm obtained from Monte Carlo simulation (Ti ≃ 2Tm, K. V. Zakharchenko, A. Fasolino, J. H. Los, and M. I. Katsnelson, J. Phys. Condens. Matter 23, 202202. This suggests that thermal vibration plays a significant role in melting of graphene while melting for 3-D materials is often dominated by topologic defects. This peculiar property of graphene derives from its high structural anisotropy, which is characterized by the vibrational anisotropic coefficient (VAC, defined upon its Lindermann ratios in different directions. For any carbon based material with a graphene-like structure, the VAC value must be smaller than 5.4 to maintain its stability. It is also found that the high VAC value of graphene is responsible for its negative thermal expansion coefficient at low temperature range. We believe that the VAC can be regarded as a new criterion concerning the vibrational stability of any low-dimensional (low-D materials.

  12. Hot Ground Vibration Tests

    Data.gov (United States)

    National Aeronautics and Space Administration — Ground vibration tests or modal surveys are routinely conducted to support flutter analysis for subsonic and supersonic vehicles. However, vibration testing...

  13. Numerical simulation of spatial whole-body vibration behaviour of sitting man taking into account individual anthropometry and position; Numerische Simulation des raeumlichen Ganzkoerperschwingungsverhaltens des sitzenden Menschen unter Beruecksichtigung der individuellen Anthropometrie und Haltung

    Energy Technology Data Exchange (ETDEWEB)

    Pankoke, S.

    2003-07-01

    A dynamic FE model of the anatomy of humans in sitting position is presented for assessing the dynamic internal response of the human body to the effect of external vibrations. The model can be adapted to individual body measures, different positions and different spatial orientation. It was verified on the basis of extensive measured data. The problem of contact between the human body and the driver seat is solved by a simplified static description. The model comprises a sub-model of the lumbar vertebral column for assessing the spatial load distributions in this body region. [German] In der vorliegenden Arbeit wird ein dynamisches, an der menschlichen Anatomie orientiertes Finite-Elemente-Modell des sitzenden Menschen vorgestellt, das es gestaltet, dynamische innere Antworten des Koerpers auf von aussen auf den Menschen einwirkende Schwingungen zu ermitteln. Das Modell ist ueber eine Auswahl anthropometrischer Masse an das Schwingungsverhalten eines Individuums anpassbar und ermoeglicht zudem die Simulation von Schwingungseinwirkungen in unterschiedlichen Haltungen und in allen Raumrichtungen. Die Modellverifikation erfolgte an umfangreichen Messdatenbestaenden. Das Kontaktproblem des Menschen zum Fahrzeugsitz ist durch eine vereinfachte statische Beschreibung abgebildet. Ferner beinhaltet das Ganzkoerpermodell ein Submodell der Lendenwirbelsaeule, mit dessen Hilfe die aus den Ganzkoerperschwingungen folgenden raeumlichen Beanspruchungsverteilungen in der Lendenwirbelsaeule ermittelt werden koennen. (orig.)

  14. Ultrafast vibrations of gold nanorings

    DEFF Research Database (Denmark)

    Kelf, T; Tanaka, Y; Matsuda, O

    2011-01-01

    We investigate the vibrational modes of gold nanorings on a silica substrate with an ultrafast optical technique. By comparison with numerical simulations, we identify several resonances in the gigahertz range associated with axially symmetric deformations of the nanoring and substrate. We...

  15. Ultrafast vibrations of gold nanorings

    DEFF Research Database (Denmark)

    Kelf, T; Tanaka, Y; Matsuda, O

    2011-01-01

    We investigate the vibrational modes of gold nanorings on a silica substrate with an ultrafast optical technique. By comparison with numerical simulations, we identify several resonances in the gigahertz range associated with axially symmetric deformations of the nanoring and substrate. We elucid...

  16. Modelling nuclear fuel vibrations in horizontal CANDU reactors

    International Nuclear Information System (INIS)

    Jagannath, D.V.; Oldaker, I.E.

    1976-01-01

    Flow-induced fuel vibrations in the pressure tubes of CANDU reactors are of vital interest to designers because fretting damage may result. Computer simulation is being used to study how bundles vibrate and to identify bundle design features which will reduce vibration and hence fretting. (author)

  17. Effect of exciton polaritons of absorption edge of GaTe

    International Nuclear Information System (INIS)

    Kurbatov, L.N.; Dirochka, A.I.; Sosin, V.A.

    1979-01-01

    The experimental results, pointing to the dependence of spectral and integral coefficients of exciton absorption as well as to the exciton relaxation parameter γsub(0) over the exciton zone on the sample thickness, are presented. It is tried to explain the inverse dependences of absorption intensity in the maximum of αsub(max) and γsub(0) exciton line within the limits of polariton theory. The values of polariton free path length in GaTe at various temperatures, as well as the volume γsub(vol.) and surface γsub(surf.) parameters of exciton relaxation over the exciton zone are discussed

  18. Impact of charge-transfer excitons in regioregular polythiophene on the charge separation at polythiophene-fullerene heterojunctions

    Science.gov (United States)

    Polkehn, M.; Tamura, H.; Burghardt, I.

    2018-01-01

    This study addresses the mechanism of ultrafast charge separation in regioregular oligothiophene-fullerene assemblies representative of poly-3-hexylthiophene (P3HT)-[6,6]-phenyl-C61 butyric acid methyl ester (PCBM) heterojunctions, with special emphasis on the inclusion of charge transfer excitons in the oligothiophene phase. The formation of polaronic inter-chain charge separated species in highly ordered oligothiophene has been demonstrated in recent experiments and could have a significant impact on the net charge transfer to the fullerene acceptor. The present approach combines a first-principles parametrized multi-site Hamiltonian, based on time-dependent density functional theory calculations, with accurate quantum dynamics simulations using the multi-layer multi-configuration time-dependent Hartree method. Quantum dynamical studies are carried out for up to 182 electronic states and 112 phonon modes. The present analysis follows up on our previous study of (Huix-Rotllant et al 2015 J. Phys. Chem. Lett. 6 1702) and significantly expands the scope of this analysis by including the dynamical role of charge transfer excitons. Our investigation highlights the pronounced mixing of photogenerated Frenkel excitons with charge transfer excitons in the oligothiophene domain, and the opening of new transfer channels due the creation of such charge-separated species. As a result, it turns out that the interfacial donor/acceptor charge transfer state can be largely circumvented due to the presence of charge transfer excitons. However, the latter states in turn act as a trap, such that the free carrier yield observed on ultrafast time scales is tangibly reduced. The present analysis underscores the complexity of the transfer pathways at P3HT-PCBM type junctions.

  19. Theory of vibration protection

    CERN Document Server

    Karnovsky, Igor A

    2016-01-01

    This text is an advancement of the theory of vibration protection of mechanical systems with lumped and distributed parameters. The book offers various concepts and methods of solving vibration protection problems, discusses the advantages and disadvantages of different methods, and the fields of their effective applications. Fundamental approaches of vibration protection, which are considered in this book, are the passive, parametric and optimal active vibration protection. The passive vibration protection is based on vibration isolation, vibration damping and dynamic absorbers. Parametric vibration protection theory is based on the Shchipanov-Luzin invariance principle. Optimal active vibration protection theory is based on the Pontryagin principle and the Krein moment method. The book also contains special topics such as suppression of vibrations at the source of their occurrence and the harmful influence of vibrations on humans. Numerous examples, which illustrate the theoretical ideas of each chapter, ar...

  20. Impurity trapped excitons under high hydrostatic pressure

    Science.gov (United States)

    Grinberg, Marek

    2013-09-01

    Paper summarizes the results on pressure effect on energies of the 4fn → 4fn and 4fn-15d1 → 4fn transitions as well as influence of pressure on anomalous luminescence in Lnα+ doped oxides and fluorides. A model of impurity trapped exciton (ITE) was developed. Two types of ITE were considered. The first where a hole is localized at the Lnα+ ion (creation of Ln(α+1)+) and an electron is attracted by Coulomb potential at Rydberg-like states and the second where an electron captured at the Lnα+ ion (creation of Ln(α-1)+) and a hole is attracted by Coulomb potential at Rydberg-like states. Paper presents detailed analysis of nonlinear changes of energy of anomalous luminescence of BaxSr1-xF2:Eu2+ (x > 0.3) and LiBaF3:Eu2+, and relate them to ITE-4f65d1 states mixing.

  1. The creation of defects in ammonium halides by excitons

    International Nuclear Information System (INIS)

    Kim, L.M.

    2002-01-01

    The ammonium halides crystals and alkali halides crystals are analogous by kind chemical bonds and crystalline lattices. The anionic sublattice is identical in this crystals. It is known the main mechanism of defect creation by irradiation is radiationless decay of excitons in alkali halides crystals. The F-, H-centers are formation in this processes. However, F, H-centres are not detected in ammonium halides. The goal of this work is investigation the creation of defects in ammonium halides by excitons. We established that excitons in ammonium chlorides and bromides are similar to excitons in alkali halides. It is known excitons are self-trapped and have identical parameters of the exciton-phonon interaction in both kind crystals. It is supposed, that processes of radiationless disintegration of excitons are identical in ammonium and alkali halides. It is necessary to understand why F-, H-centers are absent in ammonium halides. V k -centres are created by the excitation of the ammonium halides crystals in the absorption band of excitons. It was established by thermoluminescence and spectrums of absorption. The V k -centers begin to migrate at 110-120 K in ammonium chlorides and bromides. The curve of thermoluminescence have peak with maximum at this temperatures. It is known V k -centers in ammonium chlorides have the absorption band at 380 nm. We discovered this absorption band after irradiation of crystals by ultra-violet. In alkali halides F-center is anionic vacancy with electron. The wave function of electron are spread ed at the cations around anionic vacancy. We established the cation NH 4 + in ammonium halides can to capture electron. The ion NH 4 2+ is unsteady. It is disintegrated to NH 3 + and H + . We suppose that excitons in ammonium and alkali halides are disintegrated identically. When cation NH 4 + capture electron, in the anionic sublattice the configuration are created in a direction (100) The indicated configuration is unsteady in relation to a

  2. Excitons in InP/InAs inhomogeneous quantum dots

    CERN Document Server

    Assaid, E; Khamkhami, J E; Dujardin, F

    2003-01-01

    Wannier excitons confined in an InP/InAs inhomogeneous quantum dot (IQD) have been studied theoretically in the framework of the effective mass approximation. A finite-depth potential well has been used to describe the effect of the quantum confinement in the InAs layer. The exciton binding energy has been determined using the Ritz variational method. The spatial correlation between the electron and the hole has been taken into account in the expression for the wavefunction. It has been shown that for a fixed size b of the IQD, the exciton binding energy depends strongly on the core radius a. Moreover, it became apparent that there are two critical values of the core radius, a sub c sub r sub i sub t and a sub 2 sub D , for which important changes of the exciton binding occur. The former critical value, a sub c sub r sub i sub t , corresponds to a minimum of the exciton binding energy and may be used to distinguish between tridimensional confinement and bidimensional confinement. The latter critical value, a ...

  3. Spectral properties of excitons in the bilayer graphene

    Science.gov (United States)

    Apinyan, V.; Kopeć, T. K.

    2018-01-01

    In this paper, we consider the spectral properties of the bilayer graphene with the local excitonic pairing interaction between the electrons and holes. We consider the generalized Hubbard model, which includes both intralayer and interlayer Coulomb interaction parameters. The solution of the excitonic gap parameter is used to calculate the electronic band structure, single-particle spectral functions, the hybridization gap, and the excitonic coherence length in the bilayer graphene. We show that the local interlayer Coulomb interaction is responsible for the semimetal-semiconductor transition in the double layer system, and we calculate the hybridization gap in the band structure above the critical interaction value. The formation of the excitonic band gap is reported as the threshold process and the momentum distribution functions have been calculated numerically. We show that in the weak coupling limit the system is governed by the Bardeen-Cooper-Schrieffer (BCS)-like pairing state. Contrary, in the strong coupling limit the excitonic condensate states appear in the semiconducting phase, by forming the Dirac's pockets in the reciprocal space.

  4. Tailorable Exciton Transport in Doped Peptide–Amphiphile Assemblies

    Energy Technology Data Exchange (ETDEWEB)

    Solomon, Lee A. [Center; Sykes, Matthew E. [Center; Wu, Yimin A. [Center; Schaller, Richard D. [Center; Department; Wiederrecht, Gary P. [Center; Fry, H. Christopher [Center

    2017-08-29

    Light-harvesting biomaterials are an attractive target in photovoltaics, photocatalysis, and artificial photosynthesis. Through peptide self-assembly, complex nanostructures can be engineered to study the role of chromophore organization during light absorption and energy transport. To this end, we demonstrate the one-dimensional transport of excitons along naturally occurring, light-harvesting, Zn-protoporphyrin IX chromophores within self-assembled peptide-amphiphile nanofibers. The internal structure of the nanofibers induces packing of the porphyrins into linear chains. We find that this peptide assembly can enable long-range exciton diffusion, yet it also induces the formation of excimers between adjacent molecules, which serve as exciton traps. Electronic coupling between neighboring porphyrin molecules is confirmed by various spectroscopic methods. The exciton diffusion process is then probed through transient photoluminescence and absorption measurements and fit to a model for one-dimensional hopping. Because excimer formation impedes exciton hopping, increasing the interchromophore spacing allows for improved diffusivity, which we control through porphyrin doping levels. We show that diffusion lengths of over 60 nm are possible at low porphyrin doping, representing an order of magnitude improvement over the highest doping fractions.

  5. Angular momentum transport with twisted exciton wave packets

    Science.gov (United States)

    Zang, Xiaoning; Lusk, Mark T.

    2017-10-01

    A chain of cofacial molecules with CN or CN h symmetry supports excitonic states with a screwlike structure. These can be quantified with the combination of an axial wave number and an azimuthal winding number. Combinations of these states can be used to construct excitonic wave packets that spiral down the chain with well-determined linear and angular momenta. These twisted exciton wave packets can be created and annihilated using laser pulses, and their angular momentum can be optically modified during transit. This allows for the creation of optoexcitonic circuits in which information, encoded in the angular momentum of light, is converted into excitonic wave packets that can be manipulated, transported, and then reemitted. A tight-binding paradigm is used to demonstrate the key ideas. The approach is then extended to quantify the evolution of twisted exciton wave packets in a many-body, multilevel time-domain density functional theory setting. In both settings, numerical methods are developed that allow the site-to-site transfer of angular momentum to be quantified.

  6. Excitons in Core-Shell Nanowires with Polygonal Cross Sections.

    Science.gov (United States)

    Sitek, Anna; Urbaneja Torres, Miguel; Torfason, Kristinn; Gudmundsson, Vidar; Bertoni, Andrea; Manolescu, Andrei

    2018-04-11

    The distinctive prismatic geometry of semiconductor core-shell nanowires leads to complex localization patterns of carriers. Here, we describe the formation of optically active in-gap excitonic states induced by the interplay between localization of carriers in the corners and their mutual Coulomb interaction. To compute the energy spectra and configurations of excitons created in the conductive shell, we use a multielectron numerical approach based on the exact solution of the multiparticle Hamiltonian for electrons in the valence and conduction bands, which includes the Coulomb interaction in a nonperturbative manner. We expose the formation of well-separated quasidegenerate levels, and focus on the implications of the electron localization in the corners or on the sides of triangular, square, and hexagonal cross sections. We obtain excitonic in-gap states associated with symmetrically distributed electrons in the spin singlet configuration. They acquire large contributions due to Coulomb interaction, and thus are shifted to much higher energies than other states corresponding to the conduction electron and the vacancy localized in the same corner. We compare the results of the multielectron method with those of an electron-hole model, and we show that the latter does not reproduce the singlet excitonic states. We also obtain the exciton lifetime and explain selection rules which govern the recombination process.

  7. Inverse Funnel Effect of Excitons in Strained Black Phosphorus

    Directory of Open Access Journals (Sweden)

    Pablo San-Jose

    2016-09-01

    Full Text Available We study the effects of strain on the properties and dynamics of Wannier excitons in monolayer (phosphorene and few-layer black phosphorus (BP, a promising two-dimensional material for optoelectronic applications due to its high mobility, mechanical strength, and strain-tunable direct band gap. We compare the results to the case of molybdenum disulphide (MoS_{2} monolayers. We find that the so-called funnel effect, i.e., the possibility of controlling exciton motion by means of inhomogeneous strains, is much stronger in few-layer BP than in MoS_{2} monolayers and, crucially, is of opposite sign. Instead of excitons accumulating isotropically around regions of high tensile strain like in MoS_{2}, excitons in BP are pushed away from said regions. This inverse funnel effect is moreover highly anisotropic, with much larger funnel distances along the armchair crystallographic direction, leading to a directional focusing of exciton flow. A strong inverse funnel effect could enable simpler designs of funnel solar cells and offer new possibilities for the manipulation and harvesting of light.

  8. Bose-Einstein condensation of excitons in Cu2O

    International Nuclear Information System (INIS)

    Snoke, D.W.

    1990-01-01

    Free excitons provide the only experimental system other than helium in which the behavior of particles with mass is known to follow Bose-Einstein statistics. Experimental observations are presented of the kinetic energy distribution of excitons in the direct-gap semiconductor Cu 2 O, both the triplet orthoexciton state and the singlet paraexciton state. The density and temperature of the exciton gas closely follow the phase boundary for Bose-Einstein condensation. At the highest densities, the lower-lying paraexcitons take on an anomalous energy distribution with a sharp, high-energy edge. This odd distribution of particle energies may be associated with Bose-Einstein condensation into a state with nonzero momentum. Indeed, the excitons leave the region of their creation at supersonic velocities. In addition to the experimental observations, theoretical models are presented for several aspects of this nonequilibrium system. The equilibration of a nearly-ideal boson gas is modeled, finding that a significant time is required for the approach to condensation. The temperature and density of the excitons in steady state are modeled based on known classical kinetic effects in semiconductors, and the effects of Bose-Einstein statistics on these processes estimated

  9. Simulation Study on Train-Induced Vibration Control of a Long-Span Steel Truss Girder Bridge by Tuned Mass Dampers

    Directory of Open Access Journals (Sweden)

    Hao Wang

    2014-01-01

    Full Text Available Train-induced vibration of steel truss bridges is one of the key issues in bridge engineering. This paper talks about the application of tuned mass damper (TMD on the vibration control of a steel truss bridge subjected to dynamic train loads. The Nanjing Yangtze River Bridge (NYRB is taken as the research object and a recorded typical train load is included in this study. With dynamic finite element (FE method, the real-time dynamic responses of NYRB are analyzed based on a simplified train-bridge time-varying system. Thereinto, two cases including single train moving at one side and two trains moving oppositely are specifically investigated. According to the dynamic characteristics and dynamic responses of NYRB, the fourth vertical bending mode is selected as the control target and the parameter sensitivity analysis on vibration control efficiency with TMD is conducted. Using the first-order optimization method, the optimal parameters of TMD are then acquired with the control efficiency of TMD, the static displacement of Midspan, expenditure of TMDs, and manufacture difficulty of the damper considered. Results obtained in this study can provide references for the vibration control of steel truss bridges.

  10. Simulation of mechano-electrical transduction in the cochlea considering basilar membrane vibration and the ionic current of the inner hair cells

    Science.gov (United States)

    Lee, Sinyoung; Koike, Takuji

    2018-05-01

    The inner hair cells (IHCs) in the cochlea transduce mechanical vibration of the basilar membrane (BM), caused by sound pressure, to electrical signals that are transported along the acoustic nerve to the brain. The mechanical vibration of the BM and the ionic behaviors of the IHCs have been investigated. However, consideration of the ionic behavior of the IHCs related to mechanical vibration is necessary to investigate the mechano-electrical transduction of the cochlea. In this study, a finite-element model of the BM, which takes into account the non-linear activities of the outer hair cells (OHCs), and an ionic current model of IHC were combined. The amplitudes and phases of the vibration at several points on the BM were obtained from the finite-element model by applying sound pressure. These values were fed into the ionic current model, and changes in membrane potential and calcium ion concentration of the IHCs were calculated. The membrane potential of the IHC at the maximum amplitude point (CF point) was higher than that at the non-CF points. The calcium ion concentration at the CF point was also higher than that at the non-CF points. These results suggest that the cochlea achieves its good frequency discrimination ability through mechano-electrical transduction.

  11. Dynamically controlling the emission of single excitons in photonic crystal cavities

    NARCIS (Netherlands)

    Pagliano, F.; Cho, Y.; Xia, T.; Otten, van F.W.M.; Johne, R.; Fiore, A.

    2014-01-01

    Single excitons in semiconductor microcavities represent a solid state and scalable platform for cavity quantum electrodynamics, potentially enabling an interface between flying (photon) and static (exciton) quantum bits in future quantum networks. While both singlephoton emission and the strong

  12. Intrinsic homogeneous linewidth and broadening mechanisms of excitons in monolayer transition metal dichalcogenides

    KAUST Repository

    Moody, Galan; Kavir Dass, Chandriker; Hao, Kai; Chen, Chang-Hsiao; Li, Lain-Jong; Singh, Akshay; Tran, Kha; Clark, Genevieve; Xu, Xiaodong; Berghä user, Gunnar; Malic, Ermin; Knorr, Andreas; Li, Xiaoqin

    2015-01-01

    unknown property of valley excitons in these materials is the intrinsic homogeneous linewidth, which reflects irreversible quantum dissipation arising from system (exciton) and bath (vacuum and other quasiparticles) interactions and determines

  13. Singlet Exciton Lifetimes in Conjugated Polymer Films for Organic Solar Cells

    KAUST Repository

    Dimitrov, Stoichko; Schroeder, Bob; Nielsen, Christian; Bronstein, Hugo; Fei, Zhuping; McCulloch, Iain; Heeney, Martin; Durrant, James

    2016-01-01

    The lifetime of singlet excitons in conjugated polymer films is a key factor taken into account during organic solar cell device optimization. It determines the singlet exciton diffusion lengths in polymer films and has a direct impact

  14. Exciton diffusion in WSe2 monolayers embedded in a van der Waals heterostructure

    Science.gov (United States)

    Cadiz, F.; Robert, C.; Courtade, E.; Manca, M.; Martinelli, L.; Taniguchi, T.; Watanabe, K.; Amand, T.; Rowe, A. C. H.; Paget, D.; Urbaszek, B.; Marie, X.

    2018-04-01

    We have combined spatially resolved steady-state micro-photoluminescence with time-resolved photoluminescence to investigate the exciton diffusion in a WSe2 monolayer encapsulated with hexagonal boron nitride. At 300 K, we extract an exciton diffusion length of LX = 0.36 ± 0.02 μm and an exciton diffusion coefficient of DX = 14.5 ± 2 cm2/s. This represents a nearly 10-fold increase in the effective mobility of excitons with respect to several previously reported values on nonencapsulated samples. At cryogenic temperatures, the high optical quality of these samples has allowed us to discriminate the diffusion of the different exciton species: bright and dark neutral excitons, as well as charged excitons. The longer lifetime of dark neutral excitons yields a larger diffusion length of LXD=1.5 ±0.02 μ m.

  15. Vibration of machine

    International Nuclear Information System (INIS)

    Kwak, Mun Gyu; Na, Sung Su; Baek, Gwang Hyeon; Song, Chul Gi; Han, Sang Bo

    2001-09-01

    This book deals with vibration of machine which gives descriptions of free vibration using SDOF system, forced vibration using SDOF system, vibration of multi-degree of freedom system like introduction and normal form, distribution system such as introduction, free vibration of bar and practice problem, approximate solution like lumped approximations and Raleigh's quotient, engineering by intuition and experience, real problem and experimental method such as technology of signal, fourier transform analysis, frequency analysis and sensor and actuator.

  16. Novel Quantum Condensates in Excitonic Matter

    International Nuclear Information System (INIS)

    Littlewood, P. B.; Keeling, J. M. J.; Simons, B. D.; Eastham, P. R.; Marchetti, F. M.; Szymanska, M. H.

    2009-01-01

    These lectures interleave discussion of a novel physical problem of a new kind of condensate with teaching of the fundamental theoretical tools of quantum condensed matter field theory. Polaritons and excitons are light mass composite bosons that can be made inside solids in a number of different ways. As bosonic particles, they are liable to make a phase coherent ground state - generically called a Bose-Einstein condensate (BEC) - and these lectures present some models to describe that problem, as well as general approaches to the theory. The focus is very much to explain how mean-field-like approximations that are often presented heuristically can be derived in a systematic fashion by path integral methods. Going beyond the mean field theory then produces a systematic approach to calculation of the excitation energies, and the derivation of effective low energy theories that can be generalised to more complex dynamical and spatial situations than is practicable for the full theory, as well as to study statistical properties beyond the semi-classical regime. in particular, for the polariton problem, it allows one to connect the regimes of equilibrium BEC and non-equilibrium laser. The lectures are self-sufficient, but not highly detailed. The methodological aspects are covered in standard quantum field theory texts and the presentation here is deliberately cursory: the approach will be closest to the book of Altland and Simons. Since these lectures concern a particular type of condensate, reference should also be made to texts on BEC, for example by Pitaevskii and Stringari. A recent theoretically focussed review of polariton systems covers many of the technical issues associated with the polariton problem in greater depth and provides many further references.

  17. Vibrational and Rotational Energy Relaxation in Liquids

    DEFF Research Database (Denmark)

    Petersen, Jakob

    Vibrational and rotational energy relaxation in liquids are studied by means of computer simulations. As a precursor for studying vibrational energy relaxation of a solute molecule subsequent to the formation of a chemical bond, the validity of the classical Bersohn-Zewail model for describing......, the vibrational energy relaxation of I2 subsequent to photodissociation and recombination in CCl4 is studied using classical Molecular Dynamics simulations. The vibrational relaxation times and the time-dependent I-I pair distribution function are compared to new experimental results, and a qualitative agreement...... is found in both cases. Furthermore, the rotational energy relaxation of H2O in liquid water is studied via simulations and a power-and-work analysis. The mechanism of the energy transfer from the rotationally excited H2O molecule to its water neighbors is elucidated, i.e. the energy-accepting degrees...

  18. Enhanced vibration diagnostics using vibration signature analysis

    International Nuclear Information System (INIS)

    Ahmed, S.; Shehzad, K.; Zahoor, Y.; Mahmood, A.; Bibi, A.

    2001-01-01

    Symptoms will appear in equipment, as well as in human beings. when 'suffering from sickness. Symptoms of abnormality in equipment are vibration, noise, deformation, temperature, pressure, electric current, crack, wearing, leakage etc. these are called modes of failure. If the mode of failure is vibration then the vibration signature analysis can be effectively used in order to diagnose the machinery problems. Much valuable information is contained within these vibration 'Spectra' or 'Signatures' but is only of use if the analyst can unlock its 'Secrets'. This paper documents a vibration problem in the motor of a centrifugal pump (Type ETA). It focuses mainly on the roll of modern vibration monitoring system in problem analysis. The problem experienced was the motor unstability and noise due to high vibration. Using enhanced vibration signature data, the problem was analyzed. which suggested that the rotor eccentricity was the cause of excessive noise and vibration in the motor. In conclusion, advanced electronic monitoring and diagnostic systems provide powerful information for machine's condition assessment and problem analysis. Appropriate interpretation and use of this information is important for accurate and effective vibration analysis. (author)

  19. Effects of surface and interface traps on exciton and multi-exciton dynamics in core/shell quantum dots

    Science.gov (United States)

    Bozio, Renato; Righetto, Marcello; Minotto, Alessandro

    2017-08-01

    Exciton interactions and dynamics are the most important factors determining the exceptional photophysical properties of semiconductor quantum dots (QDs). In particular, best performances have been obtained for ingeniously engineered core/shell QDs. We have studied two factors entering in the exciton decay dynamics with adverse effects for the luminescence efficiency: exciton trapping at surface and interface traps, and non-radiative Auger recombination in QDs carrying either net charges or multiple excitons. In this work, we present a detailed study into the optical absorption, fluorescence dynamics and quantum yield, as well as ultrafast transient absorption properties of CdSe/CdS, CdSe/Cd0.5Zn0.5S, and CdSe/ZnS QDs as a function of shell thickness. It turns out that de-trapping processes play a pivotal role in determining steady state emission properties. By studying the excitation dependent photoluminescence quantum yields (PLQY) in different CdSe/CdxZn1-xS (x = 0, 0.5, 1) QDs, we demonstrate the different role played by hot and cold carrier trapping rates in determining fluorescence quantum yields. Finally, the use of global analysis allows us untangling the complex ultrafast transient absorption signals. Smoothing of interface potential, together with effective surface passivation, appear to be crucial factors in slowing down both Auger-based and exciton trapping recombination processes.

  20. Coulomb Mediated Hybridization of Excitons in Coupled Quantum Dots.

    Science.gov (United States)

    Ardelt, P-L; Gawarecki, K; Müller, K; Waeber, A M; Bechtold, A; Oberhofer, K; Daniels, J M; Klotz, F; Bichler, M; Kuhn, T; Krenner, H J; Machnikowski, P; Finley, J J

    2016-02-19

    We report Coulomb mediated hybridization of excitonic states in optically active InGaAs quantum dot molecules. By probing the optical response of an individual quantum dot molecule as a function of the static electric field applied along the molecular axis, we observe unexpected avoided level crossings that do not arise from the dominant single-particle tunnel coupling. We identify a new few-particle coupling mechanism stemming from Coulomb interactions between different neutral exciton states. Such Coulomb resonances hybridize the exciton wave function over four different electron and hole single-particle orbitals. Comparisons of experimental observations with microscopic eight-band k·p calculations taking into account a realistic quantum dot geometry show good agreement and reveal that the Coulomb resonances arise from broken symmetry in the artificial semiconductor molecule.

  1. Signatures of exciton condensation in a transition metal dichalcogenide

    Science.gov (United States)

    Kogar, Anshul; Rak, Melinda S.; Vig, Sean; Husain, Ali A.; Flicker, Felix; Joe, Young Il; Venema, Luc; MacDougall, Greg J.; Chiang, Tai C.; Fradkin, Eduardo; van Wezel, Jasper; Abbamonte, Peter

    2017-12-01

    Bose condensation has shaped our understanding of macroscopic quantum phenomena, having been realized in superconductors, atomic gases, and liquid helium. Excitons are bosons that have been predicted to condense into either a superfluid or an insulating electronic crystal. Using the recently developed technique of momentum-resolved electron energy-loss spectroscopy (M-EELS), we studied electronic collective modes in the transition metal dichalcogenide semimetal 1T-TiSe2. Near the phase-transition temperature (190 kelvin), the energy of the electronic mode fell to zero at nonzero momentum, indicating dynamical slowing of plasma fluctuations and crystallization of the valence electrons into an exciton condensate. Our study provides compelling evidence for exciton condensation in a three-dimensional solid and establishes M-EELS as a versatile technique sensitive to valence band excitations in quantum materials.

  2. Correlation effect of Rabi oscillations of excitons in quantum dots

    International Nuclear Information System (INIS)

    Ishi-Hayase, J.; Akahane, K.; Yamamoto, Y.; Kujiraoka, M.; Ema, K.; Sasaki, M.

    2008-01-01

    We performed a transient four-wave mixing experiment on a strain-compensated InAs quantum dot (QD) ensemble over a wide range of excitation intensities. Under the resonant excitation of an exciton ground state, an extremely long dephasing time of 1 ns was found. By increasing the areas of the excitation pulses, Rabi oscillations of excitonic polarizations were clearly observed. The corresponding Rabi frequency is three orders of magnitude higher than the measured dephasing rate. For larger pulse areas, we found that the deviation of experimental data from two-level predictions became significant. The deviations cannot be explained by taking into account, as has been suggested in other research, excitation density-dependent dephasing or Hartree-Fock-type Coulomb interactions between excitons

  3. Preface to the SPECIAL ISSUE: Excitonic Solar Cells(II)

    Institute of Scientific and Technical Information of China (English)

    Jianjun Tian; Meicheng Li; Kaibo Zheng

    2016-01-01

    Among all the excitonic solar cells(ESCs)including dyesensitized solar cells(DSSCs),quantum solar cells(QDSCs),perovskites solar cells(PSCs),and organic photovoltaics(OPVs),PSCs attracted enormous research attention in the past 7 years and attained the highest power conversion efficiency(PCE)of over 20%with the biggest progress,from 3.8%to over 22.1%in 7 years.However,one can easily realize the fact that such a rapid progress achieved in PSCs was made possible is largely based on the fundamental knowledge,experimental skills,and characterization facilities obtained and accumulated through the multi-decade long endeavor in the study of other excitonic solar cells.Even though PSCs have attractedmuch research human resource and funding,the study on other excitonic solar cells has never stopped,and such persistent efforts

  4. Exciton absorption of entangled photons in semiconductor quantum wells

    Science.gov (United States)

    Rodriguez, Ferney; Guzman, David; Salazar, Luis; Quiroga, Luis; Condensed Matter Physics Group Team

    2013-03-01

    The dependence of the excitonic two-photon absorption on the quantum correlations (entanglement) of exciting biphotons by a semiconductor quantum well is studied. We show that entangled photon absorption can display very unusual features depending on space-time-polarization biphoton parameters and absorber density of states for both bound exciton states as well as for unbound electron-hole pairs. We report on the connection between biphoton entanglement, as quantified by the Schmidt number, and absorption by a semiconductor quantum well. Comparison between frequency-anti-correlated, unentangled and frequency-correlated biphoton absorption is addressed. We found that exciton oscillator strengths are highly increased when photons arrive almost simultaneously in an entangled state. Two-photon-absorption becomes a highly sensitive probe of photon quantum correlations when narrow semiconductor quantum wells are used as two-photon absorbers. Research funds from Facultad de Ciencias, Universidad de los Andes

  5. Phonon-assisted two-photon exciton transitions in semiconductors

    International Nuclear Information System (INIS)

    Hassan, A.R.

    1987-08-01

    The theory of phonon-assisted two-photon transitions to excitonic states in semiconductors has been theoretically investigated. The effects of both the nonparabolicity of the band and the degeneracy of the valence band have been taken into account. Expressions for the absorption coefficient through different band models are calculated. The numerical applications to CdI 2 and GaP show that the 4-band model gives the dominant contribution which leads to a final s-exciton state. An exciton peak appears at an energy which is close to that recently observed in CdI 2 . The non-parabolic effect enhances the absorption coefficient by a two-order of magnitude. (author). 6 refs, 1 fig., 1 tab

  6. Spectral signatures of x((5)) processes in four-wave mixing of homogeneously broadened excitons

    DEFF Research Database (Denmark)

    Langbein, W.; Meier, T.; Koch, S.W.

    2001-01-01

    -biexciton beating at the exciton resonance is observed that is vanishing for long negative delays owing to the faster dephasing in the two-exciton continuum compared with the bound biexciton state. These results are in qualitative agreement with microscopic model calculations that include the coherent dynamics...... of one- and two-exciton resonances up to the fifth order in the optical field....

  7. Exciton dephasing and biexciton binding in CdSe/ZnSe islands

    DEFF Research Database (Denmark)

    Wagner, Hans Peter; Tranitz, H.-P.; Preis, H

    1999-01-01

    The dephasing of excitons and the formation of biexcitons in self-organized CdSe/ZnSe islands grown by molecular-beam epitaxy is investigated using spectrally resolved four-wave mixing. A distribution of exciton-exciton scattering efficiencies and dephasing times in the range of 0.5-10 ps...

  8. Excitonic surface polaritons in luminescence from ZnTe crystals

    International Nuclear Information System (INIS)

    Brodin, M.S.; Bandura, V.M.; Matsko, M.G.

    1984-01-01

    The form and structure of reflection and exciton-polariton luminescence spectra of ZnTe crystals are studied in the region of the ground (n = 1) exciton state. The longitudinal-transverse splitting magnitude ΔE/sub LT/ is determined from the shape of the reflection spectra. A detected doublet structure of an emission band from the lower polariton branch is associated with the k-linear term. The evolution of bulk and surface polariton luminescence spectra versus temperature and wavelength of the exciting light is investigated. (author)

  9. Excitonic surface polaritons in luminescence from ZnTe crystals

    Energy Technology Data Exchange (ETDEWEB)

    Brodin, M.S.; Bandura, V.M.; Matsko, M.G. (AN Ukrainskoj SSR, Kiev. Inst. Fiziki)

    1984-10-01

    The form and structure of reflection and exciton-polariton luminescence spectra of ZnTe crystals are studied in the region of the ground (n = 1) exciton state. The longitudinal-transverse splitting magnitude ..delta..E/sub LT/ is determined from the shape of the reflection spectra. A detected doublet structure of an emission band from the lower polariton branch is associated with the k-linear term. The evolution of bulk and surface polariton luminescence spectra versus temperature and wavelength of the exciting light is investigated.

  10. Incomplete Exciton Harvesting from Fullerenes in Bulk Heterojunction Solar Cells

    KAUST Repository

    Burkhard, George F.

    2009-12-09

    We investigate the internal quantum efficiencies (IQEs) of high efficiency poly-3-hexylthiophene:[6,6]-phenyl-C61-butyric acid methyl ester (P3HT:PCBM) solar cells and find them to be lower at wavelengths where the PCBM absorbs. Because the exciton diffusion length in PCBM is too small, excitons generated in PCBM decay before reaching the donor-acceptor interface. This result has implications for most state of the art organic solar cells, since all of the most efficient devices use fullerenes as electron acceptors. © 2009 American Chemical Society.

  11. Defect Structure of Localized Excitons in a WSe2 Monolayer

    KAUST Repository

    Zhang, Shuai

    2017-07-26

    The atomic and electronic structure of intrinsic defects in a WSe2 monolayer grown on graphite was revealed by low temperature scanning tunneling microscopy and spectroscopy. Instead of chalcogen vacancies that prevail in other transition metal dichalcogenide materials, intrinsic defects in WSe2 arise surprisingly from single tungsten vacancies, leading to the hole (p-type) doping. Furthermore, we found these defects to dominate the excitonic emission of the WSe2 monolayer at low temperature. Our work provided the first atomic-scale understanding of defect excitons and paved the way toward deciphering the defect structure of single quantum emitters previously discovered in the WSe2 monolayer.

  12. Exciton localization-delocalization transition in an extended dendrimer

    Energy Technology Data Exchange (ETDEWEB)

    Pouthier, Vincent, E-mail: vincent.pouthier@univ-fcomte.fr [Institut UTINAM, Université de Franche-Comté, CNRS UMR 6213, 25030 Besançon Cedex (France)

    2013-12-21

    Exciton-mediated quantum state transfer between the periphery and the core of an extended dendrimer is investigated numerically. By mapping the dynamics onto that of a linear chain, it is shown that a localization-delocalization transition arises for a critical value of the generation number G{sub c} ≈ 5. This transition originates in the quantum interferences experienced by the excitonic wave due to the multiple scatterings that arise each time the wave tunnels from one generation to another. These results suggest that only small-size dendrimers could be used for designing an efficient quantum communication protocol.

  13. One-dimensional models of excitons in carbon nanotubes

    DEFF Research Database (Denmark)

    Cornean, Horia Decebal; Duclos, Pierre; Pedersen, Thomas Garm

    2004-01-01

    Excitons in carbon nanotubes may be modeled by two oppositely charged particles living on the surface of a cylinder. We derive three one-dimensional effective Hamiltonians which become exact as the radius of the cylinder vanishes. Two of them are solvable.......Excitons in carbon nanotubes may be modeled by two oppositely charged particles living on the surface of a cylinder. We derive three one-dimensional effective Hamiltonians which become exact as the radius of the cylinder vanishes. Two of them are solvable....

  14. Incomplete Exciton Harvesting from Fullerenes in Bulk Heterojunction Solar Cells

    KAUST Repository

    Burkhard, George F.; Hoke, Eric T.; Scully, Shawn R.; McGehee, Michael D.

    2009-01-01

    We investigate the internal quantum efficiencies (IQEs) of high efficiency poly-3-hexylthiophene:[6,6]-phenyl-C61-butyric acid methyl ester (P3HT:PCBM) solar cells and find them to be lower at wavelengths where the PCBM absorbs. Because the exciton diffusion length in PCBM is too small, excitons generated in PCBM decay before reaching the donor-acceptor interface. This result has implications for most state of the art organic solar cells, since all of the most efficient devices use fullerenes as electron acceptors. © 2009 American Chemical Society.

  15. Exciton localization-delocalization transition in an extended dendrimer

    International Nuclear Information System (INIS)

    Pouthier, Vincent

    2013-01-01

    Exciton-mediated quantum state transfer between the periphery and the core of an extended dendrimer is investigated numerically. By mapping the dynamics onto that of a linear chain, it is shown that a localization-delocalization transition arises for a critical value of the generation number G c ≈ 5. This transition originates in the quantum interferences experienced by the excitonic wave due to the multiple scatterings that arise each time the wave tunnels from one generation to another. These results suggest that only small-size dendrimers could be used for designing an efficient quantum communication protocol

  16. Neutron scattering on equilibrium and nonequilibrium phonons, excitons and polaritons

    International Nuclear Information System (INIS)

    Broude, V.L.; Sheka, E.F.

    1978-01-01

    A number of problems of solid-state physics representing interest for neutron spectroscopy of future is considered. The development of the neutron inelastic scattering spectroscopy (neutron spectroscopy of equilibrium phonons) is discussed with application to nuclear dynamics of crystals in the thermodynamic equilibrium. The results of high-flux neutron source experiments on molecular crystals are presented. The advantages of neutron inelastic scattering over optical spectroscopy are discussed. The spectroscopy of quasi-equilibrium and non-equilibrium quasi-particles is discussed. In particular, the neutron scattering on polaritons, excitons in thermal equilibrium and production of light-excitons are considered. The problem of the possibility of such experiments is elucidated

  17. Singlet exciton fission in polycrystalline pentacene: from photophysics toward devices.

    Science.gov (United States)

    Wilson, Mark W B; Rao, Akshay; Ehrler, Bruno; Friend, Richard H

    2013-06-18

    Singlet exciton fission is the process in conjugated organic molecules bywhich a photogenerated singlet exciton couples to a nearby chromophore in the ground state, creating a pair of triplet excitons. Researchers first reported this phenomenon in the 1960s, an event that sparked further studies in the following decade. These investigations used fluorescence spectroscopy to establish that exciton fission occurred in single crystals of several acenes. However, research interest has been recently rekindled by the possibility that singlet fission could be used as a carrier multiplication technique to enhance the efficiency of photovoltaic cells. The most successful architecture to-date involves sensitizing a red-absorbing photoactive layer with a blue-absorbing material that undergoes fission, thereby generating additional photocurrent from higher-energy photons. The quest for improved solar cells has spurred a drive to better understand the fission process, which has received timely aid from modern techniques for time-resolved spectroscopy, quantum chemistry, and small-molecule device fabrication. However, the consensus interpretation of the initial studies using ultrafast transient absorption spectroscopy was that exciton fission was suppressed in polycrystalline thin films of pentacene, a material that would be otherwise expected to be an ideal model system, as well as a viable candidate for fission-sensitized photovoltaic devices. In this Account, we review the results of our recent transient absorption and device-based studies of polycrystalline pentacene. We address the controversy surrounding the assignment of spectroscopic features in transient absorption data, and illustrate how a consistent interpretation is possible. This work underpins our conclusion that singlet fission in pentacene is extraordinarily rapid (∼80 fs) and is thus the dominant decay channel for the photoexcited singlet exciton. Further, we discuss our demonstration that triplet excitons

  18. Vibrational analysis of a shipboard free electron laser beam path

    OpenAIRE

    Gallant, Bryan M.

    2011-01-01

    This thesis explores the deployment of a free electron laser (FEL) weapon system in a shipboard vibration environment. A concept solid model of a shipboard FEL is developed and used as a basis for a finite element model which is subjected to vibration simulation in MATLAB. Vibration input is obtained from ship shock trials data and wave excited motion data from ship motion simulation software. Emphasis is placed on the motion of electron beam path components of the FEL and the feasibility of ...

  19. Do Scaphoideus titanus (Hemiptera: Cicadellidae) nymphs use vibrational communication?

    Science.gov (United States)

    Chuche, Julien; Thiéry, Denis; Mazzoni, Valerio

    2011-07-01

    Small Auchenorrhyncha use substrate-borne vibrations to communicate. Although this behaviour is well known in adult leafhoppers, so far no studies have been published on nymphs. Here we checked the occurrence of vibrational communication in Scaphoideus titanus (Hemiptera: Cicadellidae) nymphs as a possible explanation of their aggregative distributions on host plants. We studied possible vibratory emissions of isolated and grouped nymphs, as well as their behavioural responses to vibration stimuli that simulated presence of conspecifics, to disturbance noise, white noise and predator spiders. None of our synthetic stimuli or pre-recorded substrate vibrations from nymphs elicited specific vibration responses and only those due to grooming or mechanical contacts of the insect with the leaf were recorded. Thus, S. titanus nymphs showed to not use species-specific vibrations neither for intra- nor interspecific communication and also did not produce alarm vibrations when facing potential predators. We conclude that their aggregative behaviour is independent from a vibrational communication.

  20. Evaluation methods of vibration stress of small bore piping

    Energy Technology Data Exchange (ETDEWEB)

    Hiramatsu, Miki; Sasaki, Toru [Institute of Nuclear Safety System Inc., Mihama, Fukui (Japan)

    2001-09-01

    Fatigue fracture by vibration stress is one of the main causes of troubles which occur at small bore piping in nuclear power plants. Therefore at the plants they manage small bore piping using a method in which their vibration accelerations are measured and the vibration stresses are calculated. In this work, vibration tests for two sets of mock-ups simulating actual piping in the plants by sinusoidal oscillation and by that obtained at an actual plant were carried out, and then an evaluation method was developed to obtain proper value of vibration stress from the measured data by the vibration tests. In comparison of the vibration stress obtained from the measured acceleration with that directly measured using strain gauges, it is confirmed that accurate vibration stress can be evaluated by a formula in which the real center of gravity of small bore piping and the acceleration of main (system) piping are considered. (author)

  1. Phosphate vibrations as reporters of DNA hydration

    Science.gov (United States)

    Corcelli, Steven

    The asymmetric phosphate stretch vibrational frequency is extraordinarily sensitive to its local solvent environment. Using density functional theory calculations on the model compound dimethyl phosphate, the asymmetric phosphate stretch vibrational frequency was found to shift linearly with the magnitude of an electric field along the symmetry axis of the PO2 moiety (i.e. the asymmetric phosphate stretch is an excellent linear vibrational Stark effect probe). With this linear relationship established, asymmetric phosphate stretch vibrational frequencies were computed during the course of a molecular dynamics simulation of fully hydrated DNA. Moreover, contributions to shifts in the frequencies from subpopulations of water molecules (e.g. backbone, minor groove, major groove, etc.) were calculated to reveal how phosphate vibrations report the onset of DNA hydration in experiments that vary the relative humidity of non-condensing (dry) DNA samples.

  2. [Occupational standing vibration rate and vibrational diseases].

    Science.gov (United States)

    Karnaukh, N G; Vyshchipan, V F; Haumenko, B S

    2003-12-01

    Occupational standing vibration rate is proposed in evaluating a degree of impairment of an organism activity. It will allow more widely to introduce specification of quality and quantity in assessment of the development of vibrational disease. According out-patient and inpatient obtained data we have established criterial values of functional changes in accordance with accumulated occupational standing vibration rate. The nomogram was worked out for defining a risk of the development of vibrational disease in mine workers. This nomogram more objectively can help in diagnostics of the disease.

  3. Self-trapped excitons in LH2 bacteriochlorophyll-protein complexes under high pressure

    International Nuclear Information System (INIS)

    Timpmann, K.; Ellervee, Aleksandr; Kuznetsov, Anatoli; Laisaar, Arlentin; Trinkunas, Gediminas; Freiberg, Arvi

    2003-01-01

    The absorption and emission spectra of excitons in LH2 antenna complexes from the photosynthetic purple bacterium Rhodobacter sphaeroides have been studied under hydrostatic pressure. The measurements made between ambient pressure and 6 kbar over a broad temperature range reveal largely different rates of the pressure-induced shifts for the absorption and emission bands. Numerical calculations based on exciton polaron model provide evidence for the exciton self-trapping at ambient pressure as well as for the pressure stabilization of the self-trapped exciton states responsible for the emission, whereas the light absorbing states belong to nearly free excitons over the whole pressure and temperature ranges studied

  4. Correction of the exciton Bohr radius in monolayer transition metal dichalcogenides

    Science.gov (United States)

    Li, Run-Ze; Dong, Xi-Ying; Li, Zhi-Qing; Wang, Zi-Wu

    2018-07-01

    We theoretically investigate the correction of exciton Bohr radius in monolayer transition metal dichalcogenides (TMDCs) on different polar substrates arising from the exciton-optical phonon coupling, in which both the intrinsic longitudinal optical phonon and surface optical phonon modes couple with the exciton are taken into account. We find that the exciton Bohr radius is enlarged markedly due to these coupling. Moreover, it can be changed on a large scale by modulating the polarizability of polar substrate and the internal distance between the monolayer TMDCs and polar substrate. Theoretical result provides a potential explanation for the variation of the exciton Bohr radius in experimental measurement.

  5. Probing long-lived dark excitons in self-assembled quantum dots

    DEFF Research Database (Denmark)

    Johansen, Jeppe; Julsgaard, Brian; Stobbe, Søren

    2010-01-01

    Long-lived dark exciton states are formed in self-assembled quantum dots due to the combination of the angular momentum of electrons and holes. The lifetime of dark excitons are determined by spin-flip processes that transfer dark excitons into radiative bright excitons. We employ time......-resolved spontaneous emission measurements in a modified local density of optical states to unambiguously record the spin-flip rate. Pronounced variations in the spin-flip rate with the quantum dot emission energy are observed demonstrating that the exciton storage time can be extended by controlling the quantum dot......, which illustrates the important role of interfaces for quantum dot based nanophotonic structures....

  6. Photoluminescence dynamics of weakly confined excitons in GaAs thin films

    International Nuclear Information System (INIS)

    Kanno, Atsushi; Katouf, Redouane; Kojima, Osamu; Ishi-Hayase, Junko; Sasaki, Masahide; Tsuchiya, Masahiro; Isu, Toshiro

    2008-01-01

    We investigate the dynamics of weakly confined excitons in GaAs thin films measured by time-resolved photoluminescence (PL) technique. When excitation energy was above the resonant energy of the exciton, a long PL rise time of about 200 ps was observed. It is considered that an exciton formation process from excited continuum energy states to discrete energy states of the exciton in the thin film causes the slow PL rise. The observed PL decay time constant was about 14 ns due to high quality fabricated samples. The observed population dynamics can be surely ascribed to the specific features of weakly confined excitons

  7. Decay of orientational grating of weakly confined excitons in GaAs thin films

    International Nuclear Information System (INIS)

    Kojima, O.; Isu, T.; Ishi-Hayase, J.; Kanno, A.; Katouf, R.; Sasaki, M.; Tsuchiya, M.

    2008-01-01

    We report the dynamical properties of the exciton orientation in GaAs thin films using the orientational grating (OG) technique. From the results of excitation-power dependence of OG signal, we confirmed that the OG signal comes from the optical nonlinearity of weakly confined excitons. In addition, the OG-decay time decreases with an increase of excitation power due to exciton-exciton interaction, and the shortest decay time is below 1 ps. Our results may imply the potential application of optical nonlinearity of weakly confined exciton to ultrafast switching devices operating at 1 Tbit/s

  8. Strongly Enhanced Free-Exciton Luminescence in Microcrystalline CsPbBr3 Films

    Science.gov (United States)

    Kondo, Shin-ichi; Kakuchi, Mitsugu; Masaki, Atsushi; Saito, Tadaaki

    2003-07-01

    The luminescence properties of CsPbBr3 films prepared via the amorphous phase by crystallization are dominated by free-exciton emission, and only a weak trace of emission due to trapped excitons was observed, in contrast to the case of bulk CsPbBr3 crystals. In particular, the films in the microcrystalline state show by more than an order of magnitude stronger free-exciton emission than in the polycrystalline state. The enhanced free-exciton emission is suggestive of excitonic superradiance.

  9. Exciton Recombination in Formamidinium Lead Triiodide : Nanocrystals versus Thin Films

    NARCIS (Netherlands)

    Fang, Hong-Hua; Protesescu, Loredana; Balazs, Daniel M.; Adjokatse, Sampson; Kovalenko, Maksym V.; Loi, Maria Antonietta

    2017-01-01

    The optical properties of the newly developed near-infrared emitting formamidinium lead triiodide (FAPbI(3)) nanocrystals (NCs) and their polycrystalline thin film counterpart are comparatively investigated by means of steady-state and time-resolved photoluminescence. The excitonic emission is

  10. Excitonic Behavior of Rhodamine Dimers: A Single-Molecule Study

    NARCIS (Netherlands)

    Hernando Campos, J.; van der Schaaf, Martijn; van Dijk, E.M.H.P.; Sauer, Markus; Garcia Parajo, M.F.; van Hulst, N.F.

    2003-01-01

    The optical behavior of a dimer of tetramethylrhodamine-5-isothiocyanate has been investigated by means of single-molecule measurements. Bulk absorption and fluorescence spectra show the existence of two populations of the dimer molecule that exhibit distinct excitonic interactions (strong and weak

  11. Nonmonotonic energy harvesting efficiency in biased exciton chains

    NARCIS (Netherlands)

    Vlaming, S.M.; Malyshev, V.A.; Knoester, J.

    2007-01-01

    We theoretically study the efficiency of energy harvesting in linear exciton chains with an energy bias, where the initial excitation is taking place at the high-energy end of the chain and the energy is harvested (trapped) at the other end. The efficiency is characterized by means of the average

  12. Finite life time effects in the coherent exciton transfer

    International Nuclear Information System (INIS)

    Barvik, I.; Herman, P.

    1992-04-01

    The paper addresses a specific problem in the exciton transfer in molecular aggregates, namely the influence of the finite life time effects, on the memory functions entering the Generalized Master Equation (GME) which connect different sites of the system. 7 refs, 2 figs

  13. Wannier-Mott Excitons in Nanoscale Molecular Ices

    Science.gov (United States)

    Chen, Y.-J.; Muñoz Caro, G. M.; Aparicio, S.; Jiménez-Escobar, A.; Lasne, J.; Rosu-Finsen, A.; McCoustra, M. R. S.; Cassidy, A. M.; Field, D.

    2017-10-01

    The absorption of light to create Wannier-Mott excitons is a fundamental feature dictating the optical and photovoltaic properties of low band gap, high permittivity semiconductors. Such excitons, with an electron-hole separation an order of magnitude greater than lattice dimensions, are largely limited to these semiconductors but here we find evidence of Wannier-Mott exciton formation in solid carbon monoxide (CO) with a band gap of >8 eV and a low electrical permittivity. This is established through the observation that a change of a few degrees K in deposition temperature can shift the electronic absorption spectra of solid CO by several hundred wave numbers, coupled with the recent discovery that deposition of CO leads to the spontaneous formation of electric fields within the film. These so-called spontelectric fields, here approaching 4 ×107 V m-1 , are strongly temperature dependent. We find that a simple electrostatic model reproduces the observed temperature dependent spectral shifts based on the Stark effect on a hole and electron residing several nm apart, identifying the presence of Wannier-Mott excitons. The spontelectric effect in CO simultaneously explains the long-standing enigma of the sensitivity of vacuum ultraviolet spectra to the deposition temperature.

  14. Jointly Tuned Plasmonic–Excitonic Photovoltaics Using Nanoshells

    KAUST Repository

    Paz-Soldan, Daniel; Lee, Anna; Thon, Susanna M.; Adachi, Michael M.; Dong, Haopeng; Maraghechi, Pouya; Yuan, Mingjian; Labelle, André J.; Hoogland, Sjoerd; Liu, Kun; Kumacheva, Eugenia; Sargent, Edward H.

    2013-01-01

    photovoltaics offers the potential for low-cost, large-area solar power; however, these devices suffer from poor quantum efficiency in the more weakly absorbed infrared portion of the sun's spectrum. Here, we report a plasmonic-excitonic solar cell that combines

  15. Exciton binding energy in a pyramidal quantum dot

    Indian Academy of Sciences (India)

    A ANITHA

    2018-03-27

    Mar 27, 2018 ... screening function on exciton binding energy in a pyramid-shaped quantum dot of ... tures may generate unique properties and they show .... where Ee is the ground-state energy of the electron in ... Figure 1. The geometry of the pyramidal quantum dot. base and H is the height of the pyramid which is taken.

  16. Magneto-exciton transitions in laterally coupled quantum dots

    Science.gov (United States)

    Barticevic, Zdenka; Pacheco, Monica; Duque, Carlos A.; Oliveira, Luiz E.

    2008-03-01

    We present a study of the electronic and optical properties of laterally coupled quantum dots. The excitonic spectra of this system under the effects of an external magnetic field applied perpendicular to the plane of the dots is obtained, with the potential of every individual dot taken as the superposition of a quantum well potential along the axial direction with a lateral parabolic confinement potential, and the coupled two- dot system then modeled by a superposition of the potentials of each dot, with their minima at different positions and truncated at the intersection plane. The wave functions and eigenvalues are obtained in the effective-mass approximation by using an extended variational approach in which the magneto- exciton states are simultaneously obtained [1]. The allowed magneto-exciton transitions are investigated by using circularly polarized radiation in the plane perpendicular to the magnetic field. We present results on the excitonic absorption coefficient as a function of the photon energy for different geometric quantum-dot confinement and magnetic-field values. Reference: [1] Z. Barticevic, M. Pacheco, C. A. Duque and L. E. Oliveira, Phys. Rev. B 68, 073312 (2003).

  17. Synthetic Control of Exciton Behavior in Colloidal Quantum Dots.

    Science.gov (United States)

    Pu, Chaodan; Qin, Haiyan; Gao, Yuan; Zhou, Jianhai; Wang, Peng; Peng, Xiaogang

    2017-03-08

    Colloidal quantum dots are promising optical and optoelectronic materials for various applications, whose performance is dominated by their excited-state properties. This article illustrates synthetic control of their excited states. Description of the excited states of quantum-dot emitters can be centered around exciton. We shall discuss that, different from conventional molecular emitters, ground-state structures of quantum dots are not necessarily correlated with their excited states. Synthetic control of exciton behavior heavily relies on convenient and affordable monitoring tools. For synthetic development of ideal optical and optoelectronic emitters, the key process is decay of band-edge excitons, which renders transient photoluminescence as important monitoring tool. On the basis of extensive synthetic developments in the past 20-30 years, synthetic control of exciton behavior implies surface engineering of quantum dots, including surface cation/anion stoichiometry, organic ligands, inorganic epitaxial shells, etc. For phosphors based on quantum dots doped with transition metal ions, concentration and location of the dopant ions within a nanocrystal lattice are found to be as important as control of the surface states in order to obtain bright dopant emission with monoexponential yet tunable photoluminescence decay dynamics.

  18. Optical absorption of charged excitons in semiconducting carbon nanotubes

    DEFF Research Database (Denmark)

    Rønnow, Troels Frimodt; Pedersen, Thomas Garm; Cornean, Horia

    2012-01-01

    In this article we examine the absorption coefficient of charged excitons in carbon nanotubes. We investigate the temperature and damping dependence of the absorption spectra. We show that the trion peak in the spectrum is asymmetric for temperatures greater than approximately 1 K whereas...

  19. Direct measurement of exciton dissociation energy in polymers

    Czech Academy of Sciences Publication Activity Database

    Toušek, J.; Toušková, J.; Chomutová, R.; Paruzel, Bartosz; Pfleger, Jiří

    2017-01-01

    Roč. 7, č. 1 (2017), s. 1-6, č. článku 015113. ISSN 2158-3226 Institutional support: RVO:61389013 Keywords : exciton dissociation energy * polymers * SCR Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science Impact factor: 1.568, year: 2016

  20. Signatures of exciton condensation in a transition metal dichalcogenide

    NARCIS (Netherlands)

    Kogar, A.; Rak, M.S.; Vig, S.; Husain, A.A.; Flicker, F.; Joe, Y.I.; Venema, L.; MacDougall, G.J.; Chiang, T.C.; Fradkin, E.; van Wezel, J.; Abbamonte, P.

    2017-01-01

    Bose condensation has shaped our understanding of macroscopic quantum phenomena, having been realized in superconductors, atomic gases, and liquid helium. Excitons are bosons that have been predicted to condense into either a superfluid or an insulating electronic crystal. Using the recently

  1. On the possibility of excitonic magnetism in Ir double perovskites

    Czech Academy of Sciences Publication Activity Database

    Pajskr, K.; Novák, Pavel; Pokorný, Vladislav; Kolorenč, Jindřich; Arita, R.; Kuneš, Jan

    2016-01-01

    Roč. 93, č. 3 (2016), 1-6, č. článku 035129. ISSN 1098-0121 R&D Projects: GA ČR GA13-25251S Institutional support: RVO:68378271 Keywords : spin-orbit coupling * double perovskite * excitonic magnetism Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  2. Colloquium: Excitons in atomically thin transition metal dichalcogenides

    Science.gov (United States)

    Wang, Gang; Chernikov, Alexey; Glazov, Mikhail M.; Heinz, Tony F.; Marie, Xavier; Amand, Thierry; Urbaszek, Bernhard

    2018-04-01

    Atomically thin materials such as graphene and monolayer transition metal dichalcogenides (TMDs) exhibit remarkable physical properties resulting from their reduced dimensionality and crystal symmetry. The family of semiconducting transition metal dichalcogenides is an especially promising platform for fundamental studies of two-dimensional (2D) systems, with potential applications in optoelectronics and valleytronics due to their direct band gap in the monolayer limit and highly efficient light-matter coupling. A crystal lattice with broken inversion symmetry combined with strong spin-orbit interactions leads to a unique combination of the spin and valley degrees of freedom. In addition, the 2D character of the monolayers and weak dielectric screening from the environment yield a significant enhancement of the Coulomb interaction. The resulting formation of bound electron-hole pairs, or excitons, dominates the optical and spin properties of the material. Here recent progress in understanding of the excitonic properties in monolayer TMDs is reviewed and future challenges are laid out. Discussed are the consequences of the strong direct and exchange Coulomb interaction, exciton light-matter coupling, and influence of finite carrier and electron-hole pair densities on the exciton properties in TMDs. Finally, the impact on valley polarization is described and the tuning of the energies and polarization observed in applied electric and magnetic fields is summarized.

  3. Excitonic magnetism in d.sup.6./sup. perovskites

    Czech Academy of Sciences Publication Activity Database

    Afonso, J.F.; Kuneš, Jan

    2017-01-01

    Roč. 95, č. 11 (2017), s. 1-8, č. článku 115131. ISSN 2469-9950 EU Projects: European Commission(XE) 646807 - EXMAG Institutional support: RVO:68378271 Keywords : excitonic magnetism * cobaltites Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.836, year: 2016

  4. Extension of the radiative lifetime of Wannier-Mott excitons in semiconductor nanoclusters

    International Nuclear Information System (INIS)

    Kukushkin, V. A.

    2015-01-01

    The purpose of the study is to calculate the radiative lifetime of Wannier-Mott excitons in three-dimensional potential wells formed of direct-gap narrow-gap semiconductor nanoclusters in wide-gap semiconductors and assumed to be large compared to the exciton radius. Calculations are carried out for the InAs/GaAs heterosystem. It is shown that, as the nanocluster dimensions are reduced to values on the order of the exciton radius, the exciton radiative lifetime becomes several times longer compared to that in a homogeneous semiconductor. The increase in the radiative lifetime is more pronounced at low temperatures. Thus, it is established that the placement of Wannier-Mott excitons into direct-gap semiconductor nanoclusters, whose dimensions are of the order of the exciton radius, can be used for considerable extension of the exciton radiative lifetime

  5. Highly mobile charge-transfer excitons in two-dimensional WS2/tetracene heterostructures

    Science.gov (United States)

    Zhu, Tong; Yuan, Long; Zhao, Yan; Zhou, Mingwei; Wan, Yan; Mei, Jianguo; Huang, Libai

    2018-01-01

    Charge-transfer (CT) excitons at heterointerfaces play a critical role in light to electricity conversion using organic and nanostructured materials. However, how CT excitons migrate at these interfaces is poorly understood. We investigate the formation and transport of CT excitons in two-dimensional WS2/tetracene van der Waals heterostructures. Electron and hole transfer occurs on the time scale of a few picoseconds, and emission of interlayer CT excitons with a binding energy of ~0.3 eV has been observed. Transport of the CT excitons is directly measured by transient absorption microscopy, revealing coexistence of delocalized and localized states. Trapping-detrapping dynamics between the delocalized and localized states leads to stretched-exponential photoluminescence decay with an average lifetime of ~2 ns. The delocalized CT excitons are remarkably mobile with a diffusion constant of ~1 cm2 s−1. These highly mobile CT excitons could have important implications in achieving efficient charge separation. PMID:29340303

  6. Portable vibration exciter

    Science.gov (United States)

    Beecher, L. C.; Williams, F. T.

    1970-01-01

    Gas-driven vibration exciter produces a sinusoidal excitation function controllable in frequency and in amplitude. It allows direct vibration testing of components under normal loads, removing the possibility of component damage due to high static pressure.

  7. A method for the direct measurement of electronic site populations in a molecular aggregate using two-dimensional electronic-vibrational spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lewis, Nicholas H. C.; Dong, Hui; Oliver, Thomas A. A.; Fleming, Graham R., E-mail: grfleming@lbl.gov [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Kavli Energy Nanosciences Institute at Berkeley, Berkeley, California 94720 (United States)

    2015-09-28

    Two dimensional electronic spectroscopy has proved to be a valuable experimental technique to reveal electronic excitation dynamics in photosynthetic pigment-protein complexes, nanoscale semiconductors, organic photovoltaic materials, and many other types of systems. It does not, however, provide direct information concerning the spatial structure and dynamics of excitons. 2D infrared spectroscopy has become a widely used tool for studying structural dynamics but is incapable of directly providing information concerning electronic excited states. 2D electronic-vibrational (2DEV) spectroscopy provides a link between these domains, directly connecting the electronic excitation with the vibrational structure of the system under study. In this work, we derive response functions for the 2DEV spectrum of a molecular dimer and propose a method by which 2DEV spectra could be used to directly measure the electronic site populations as a function of time following the initial electronic excitation. We present results from the response function simulations which show that our proposed approach is substantially valid. This method provides, to our knowledge, the first direct experimental method for measuring the electronic excited state dynamics in the spatial domain, on the molecular scale.

  8. Coherent wavepackets in the Fenna-Matthews-Olson complex are robust to excitonic-structure perturbations caused by mutagenesis

    Science.gov (United States)

    Maiuri, Margherita; Ostroumov, Evgeny E.; Saer, Rafael G.; Blankenship, Robert E.; Scholes, Gregory D.

    2018-02-01

    Femtosecond pulsed excitation of light-harvesting complexes creates oscillatory features in their response. This phenomenon has inspired a large body of work aimed at uncovering the origin of the coherent beatings and possible implications for function. Here we exploit site-directed mutagenesis to change the excitonic level structure in Fenna-Matthews-Olson (FMO) complexes and compare the coherences using broadband pump-probe spectroscopy. Our experiments detect two oscillation frequencies with dephasing on a picosecond timescale—both at 77 K and at room temperature. By studying these coherences with selective excitation pump-probe experiments, where pump excitation is in resonance only with the lowest excitonic state, we show that the key contributions to these oscillations stem from ground-state vibrational wavepackets. These experiments explicitly show that the coherences—although in the ground electronic state—can be probed at the absorption resonances of other bacteriochlorophyll molecules because of delocalization of the electronic excitation over several chromophores.

  9. Femtosecond study of self-trapped vibrational excitons in crystalline acetanilide

    DEFF Research Database (Denmark)

    Edler, J.; Hamm, Peter; Scott, Alwyn C.

    2002-01-01

    Femtosecond IR spectroscopy of delocalized NH excitations of crystalline acetanilide confirms that self-trapping in hydrogen-bonded peptide units exists and does stabilize the excitation. Two phonons with frequencies of 48 and 76 cm(-1) are identified as the major degrees of freedom that mediate...

  10. Theoretical study of excitonic complexes in semiconductors quantum wells

    International Nuclear Information System (INIS)

    Dacal, Luis Carlos Ogando

    2001-08-01

    A physical system where indistinguishable particles interact with each other creates the possibility of studying correlation and exchange effect. The simplest system is that one with only two indistinguishable particles. In condensed matter physics, these complexes are represented by charged excitons, donors and acceptors. In quantum wells, the valence band is not parabolic, therefore, the negatively charged excitons and donors are theoretically described in a simpler way. Despite the fact that the stability of charged excitons (trions) is known since the late 50s, the first experimental observation occurred only at the early 90s in quantum well samples, where their binding energies are one order of magnitude larger due to the one dimensional carriers confinement. After this, these complexes became the subject of an intense research because the intrinsic screening of electrical interactions in semiconductor materials allows that magnetic fields that are usual in laboratories have strong effects on the trion binding energy. Another rich possibility is the study of trions as an intermediate state between the neutral exciton and the Fermi edge singularity when the excess of doping carriers is increased. In this thesis, we present a theoretical study of charged excitons and negatively charged donors in GaAs/Al 0.3 Ga 0.7 As quantum wells considering the effects of external electric and magnetic fields. We use a simple, accurate and physically clear method to describe these systems in contrast with the few and complex treatments s available in the literature. Our results show that the QW interface defects have an important role in the trion dynamics. This is in agreement with some experimental works, but it disagrees with other ones. (author)

  11. Spectral simulations and vibrational dynamics of the fluxional H+5 cation and its isotopologues: signatures of the shared-proton motions

    International Nuclear Information System (INIS)

    Prosmiti, Rita; Valdés, Álvaro; Delgado-Barrio, Gerardo

    2014-01-01

    The recent increased interest on research studies of the H + 5 cation, and its isotopologues, is due to the postulation for their presence, although still not detected, in the interstellar medium. There is no doubt, particularly in the light of the recent laboratory observations, that the spectroscopy of these systems is also a great challenge for the theorists. Thus, we report the first fully converged coupled anharmonic quantum study on vibrational dynamics of these highly fluxional cations, providing important information on their spectroscopy in a rigorous manner, and open perspectives for further investigations

  12. Vibrations and Eigenvalues

    Indian Academy of Sciences (India)

    We make music by causing strings, membranes, or air columns to vibrate. Engineers design safe structures by control- ling vibrations. I will describe to you a very simple vibrating system and the mathematics needed to analyse it. The ideas were born in the work of Joseph-Louis Lagrange (1736–1813), and I begin by quot-.

  13. Vibrational entropies in metallic alloys

    Science.gov (United States)

    Ozolins, Vidvuds; Asta, Mark; Wolverton, Christopher

    2000-03-01

    Recently, it has been recognized that vibrational entropy can have significant effects on the phase stability of metallic alloys. Using density functional linear response calculations and molecular dynamics simulations we study three representative cases: (i) phase diagram of Al-rich Al-Sc alloys, (ii) stability of precipitate phases in CuAl_2, and (iii) phonon dynamics in bcc Zr. We find large vibrational entropy effects in all cases. In the Al-Sc system, vibrations increase the solid solubility of Sc in Al by decreasing the stability of the L12 (Al_3Sc) phase. This leads to a nearly ten-fold increase in the solid solubility of Sc in Al at T=800 K. In the Cu-Al system, our calculations predict that the tetragonal Laves phase of CuAl2 has 0.35 kB/atom higher vibrational entropy than the cubic CaF_2-type phase (the latter is predicted to be the T=0 K ground state of CuAl_2). This entropy difference causes a structural transformation in CuAl2 precipitates from the fluorite to the tetragonal Laves phase around T=500 K. Finally, we analyze the highly unusual dynamics of anharmonically stabilized bcc Zr, finding large diffuse-scattering intensity streaks between the bcc Bragg peaks.

  14. Vibration of hydraulic machinery

    CERN Document Server

    Wu, Yulin; Liu, Shuhong; Dou, Hua-Shu; Qian, Zhongdong

    2013-01-01

    Vibration of Hydraulic Machinery deals with the vibration problem which has significant influence on the safety and reliable operation of hydraulic machinery. It provides new achievements and the latest developments in these areas, even in the basic areas of this subject. The present book covers the fundamentals of mechanical vibration and rotordynamics as well as their main numerical models and analysis methods for the vibration prediction. The mechanical and hydraulic excitations to the vibration are analyzed, and the pressure fluctuations induced by the unsteady turbulent flow is predicted in order to obtain the unsteady loads. This book also discusses the loads, constraint conditions and the elastic and damping characters of the mechanical system, the structure dynamic analysis, the rotor dynamic analysis and the system instability of hydraulic machines, including the illustration of monitoring system for the instability and the vibration in hydraulic units. All the problems are necessary for vibration pr...

  15. Anti-vibration gloves?

    Science.gov (United States)

    Hewitt, Sue; Dong, Ren G; Welcome, Daniel E; McDowell, Thomas W

    2015-03-01

    For exposure to hand-transmitted vibration (HTV), personal protective equipment is sold in the form of anti-vibration (AV) gloves, but it remains unclear how much these gloves actually reduce vibration exposure or prevent the development of hand-arm vibration syndrome in the workplace. This commentary describes some of the issues that surround the classification of AV gloves, the assessment of their effectiveness and their applicability in the workplace. The available information shows that AV gloves are unreliable as devices for controlling HTV exposures. Other means of vibration control, such as using alternative production techniques, low-vibration machinery, routine preventative maintenance regimes, and controlling exposure durations are far more likely to deliver effective vibration reductions and should be implemented. Furthermore, AV gloves may introduce some adverse effects such as increasing grip force and reducing manual dexterity. Therefore, one should balance the benefits of AV gloves and their potential adverse effects if their use is considered. © Crown copyright 2014.

  16. Exciton center-of-mass localization and dielectric environment effect in monolayer WS2

    Science.gov (United States)

    Hichri, Aïda; Ben Amara, Imen; Ayari, Sabrine; Jaziri, Sihem

    2017-06-01

    The ultrathin transition metal dichalcogenides (TMDs) have emerged as promising materials for various applications using two dimensional semiconductors. They have attracted increasing attention due to their unique optical properties originate from neutral and charged excitons. In this paper, we study the strong localization of exciton center-of-mass motion within random potential fluctuations caused by the monolayer defects. Here, we report negatively charged exciton formation in monolayer TMDs, notably tungsten disulfide WS2. Our theory is based on an effective mass model of neutral and charged excitons, parameterized by ab-initio calculations. Taking into the account the strong correlation between the monolayer WS2 and the surrounding dielectric environment, our theoretical results are in good agreement with one-photon photoluminescence (PL) and reflectivity measurements. We also show that the exciton state with p-symmetry, experimentally observed by two-photon PL emission, is energetically below the 2s-state. We use the equilibrium mass action law, to quantify the relative weight of exciton and trion PL. We show that exciton and trion emission can be tuned and controlled by external parameters like temperature, pumping, and injection electrons. Finally, in comparison with experimental measurements, we show that exciton emission in monolayer tungsten dichalcogenides is substantially reduced. This feature suggests that free exciton can be trapped in disordered potential wells to form a localized exciton and therefore offers a route toward novel optical properties.

  17. Exciton-polariton dynamics in quantum dot-cavity system

    Energy Technology Data Exchange (ETDEWEB)

    Neto, Antonio F.; Lima, William J.; Villas-Boas, Jose M. [Universidade Federal de Uberlandia (UFU), MG (Brazil). Inst. de Fisica

    2012-07-01

    Full text: One of the basic requirement for quantum information processing systems is the ability to completely control the state of a single qubit. This imply in know all sources of decoherence and elaborate ways to avoid them. In recent work, A. Laucht et al. [1] presented detailed theoretical and experimental investigations of electrically tunable single quantum dot (QD) - photonic crystal (PhC) nanocavity systems operating in the strong coupling regime of the light matter interaction. Unlike previous studies, where the exciton-cavity spectral detuning was varied by changing the lattice temperature, or by the adsorption of inert gases at low temperatures, they employ the quantum confined Stark-effect to electro-optically control the exciton-cavity detuning. The new built device enabled them to systematically probe the emission spectrum of the strongly coupled system as a function of external control parameters, as for example the incoherent excitation power density or the lattice temperature. Those studies reveal for the first time insights in dephasing mechanisms of 0D exciton polaritons [1]. In another study [2], using a similar device, they investigate the coupling between two different QDs with a single cavity mode. In both works, incoherent pumping was used, but for quantum information, coherent and controlled excitations are necessary. Here, we theoretically investigate the dynamics a single quantum dot inside a cavity under coherent pulse excitation and explore a wide range of parameters, as for example, the exciton-cavity detunings, the excitation power, the spontaneous decay, and pure dephasing. We use density matrix formalism in the Lindblad form, and we solve it numerically. Our results show that coherent excitation can be used to probe strong coupling between exciton and cavity mode by monitoring the exciton Rabi oscillation as function of the cavity detuning. This can give new insights for future experimental measurement focusing on quantum

  18. Anharmonicity of lattice vibrations induced by charged nickel additions in A sup 2 B sup 6 semiconductors

    CERN Document Server

    Sokolov, V I; Shirokov, E A; Kislov, A N

    2002-01-01

    Paper presents the results of investigations into lattice vibrations induced by nickel impurities charged negatively as to the lattice in ZnSe:Ni, ZnO:Ni, ZnS:Ni, CdS:Ni semiconductors. To investigate into vibrations one applies a sensitive technique of field exciton-oscillation spectroscopy. One observes experimentally oscillating reiterations of the impurity exciton head line including the intensive peaks of combined repetitions up to the 8-th order. The experimental results are discussed on the basis of the model estimations of oscillations of a lattice with a charged impurity centre, as well as, on the ground of calculations for oscillations of monoatomic chain with high anharmonicity. Charged impurity centres are shown to induce new oscillations of lattice - impurity anharmonic modes

  19. Simulations

    CERN Document Server

    Ngada, Narcisse

    2015-06-15

    The complexity and cost of building and running high-power electrical systems make the use of simulations unavoidable. The simulations available today provide great understanding about how systems really operate. This paper helps the reader to gain an insight into simulation in the field of power converters for particle accelerators. Starting with the definition and basic principles of simulation, two simulation types, as well as their leading tools, are presented: analog and numerical simulations. Some practical applications of each simulation type are also considered. The final conclusion then summarizes the main important items to keep in mind before opting for a simulation tool or before performing a simulation.

  20. Non-radiative Exciton Decay in Single-walled Carbon Nanotubes

    Science.gov (United States)

    Harrah, Mark; Swan, Anna

    2010-03-01

    Experiments have shown step-wise changes in the fluorescence intensity from single-walled carbon nanotubes [1,2]. It has been proposed that the underlying mechanism for the step-wise changes is diffusion-limited quenching of excitons at defects [1]. This property has been used to demonstrate single-molecule detection for biological applications [3]. We perform a Monte-Carlo simulation of nanotube fluorescence with a diffusion-limited quenching model. The fluorescence intensity is seen to depend on the mean-square distance between defects, implying a nonlinear dependence on the number of defects. The intensity for consecutive defect counts can overlap depending on the positions of the defects. [4pt] [1] Cognet, L. et al. Science 316, 1465-1468 (2007).[0pt] [2] Jin, H. et al. Nano Lett. 8, 4299-4304 (2008).[0pt] [3] Heller, D. A. et al. Nature Nanotech. 4, 114-120 (2009).

  1. Dynamics of defect-induced dark solitons in an exciton-polariton condensate

    Science.gov (United States)

    Opala, Andrzej; Pieczarka, Maciej; Bobrovska, Nataliya; Matuszewski, Michał

    2018-04-01

    We study theoretically the emission of dark solitons induced by a moving defect in a nonresonantly pumped exciton-polariton condensate. The number of created dark solitons per unit of time is found to be strongly dependent on the pump power. We relate the observed dynamics of this process to the oscillations of the drag force experienced by the condensate. We investigate the stability of the polariton quantum fluid and present various types of dynamics depending on the condensate and moving obstacle parameters. Furthermore, we provide analytical expressions for dark soliton dynamics using the variational method adapted to the nonequilibrium polariton system. The determined dynamical equations are found to be in excellent agreement with the results of numerical simulations.

  2. Self-trapped excitonic green emission from layered semiconductors

    International Nuclear Information System (INIS)

    Miah, M. Idrish

    2009-01-01

    Crystals of layered semiconductor are grown by Bridgman technique and are studied them under two-photon excitation by a Q-switched 20-ns pulse laser. The photoluminescence (PL) emission spectra of the crystals are measured at various pumping powers and temperatures. The PL spectra appear broad and structureless emissions with their peaks in the green spectral region. The characteristic emissions are from self-trapped excitons of the crystals. An analysis of the spectra measured at various pumping powers shows a quadratic dependence of the PL peak intensity on the power, confirming a biphotonic process of the two-photon pumping. The temperature dependence shows an enhancement of the nonlinear response at low temperatures. The activation energy is estimated and found to be 2.4 meV. The roles of the bound excitons in the observed PL are discussed briefly.

  3. Self-trapped excitonic green emission from layered semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Miah, M. Idrish, E-mail: m.miah@griffith.edu.au [Nanoscale Science and Technology Centre, Griffith University, Nathan, Brisbane, QLD 4111 (Australia); School of Biomolecular and Physical Sciences, Griffith University, Nathan, Brisbane, QLD 4111 (Australia); Department of Physics, University of Chittagong, Chittagong 4331 (Bangladesh)

    2009-08-15

    Crystals of layered semiconductor are grown by Bridgman technique and are studied them under two-photon excitation by a Q-switched 20-ns pulse laser. The photoluminescence (PL) emission spectra of the crystals are measured at various pumping powers and temperatures. The PL spectra appear broad and structureless emissions with their peaks in the green spectral region. The characteristic emissions are from self-trapped excitons of the crystals. An analysis of the spectra measured at various pumping powers shows a quadratic dependence of the PL peak intensity on the power, confirming a biphotonic process of the two-photon pumping. The temperature dependence shows an enhancement of the nonlinear response at low temperatures. The activation energy is estimated and found to be 2.4 meV. The roles of the bound excitons in the observed PL are discussed briefly.

  4. Jointly Tuned Plasmonic–Excitonic Photovoltaics Using Nanoshells

    KAUST Repository

    Paz-Soldan, Daniel

    2013-04-10

    Recent advances in spectrally tuned, solution-processed plasmonic nanoparticles have provided unprecedented control over light\\'s propagation and absorption via engineering at the nanoscale. Simultaneous parallel progress in colloidal quantum dot photovoltaics offers the potential for low-cost, large-area solar power; however, these devices suffer from poor quantum efficiency in the more weakly absorbed infrared portion of the sun\\'s spectrum. Here, we report a plasmonic-excitonic solar cell that combines two classes of solution-processed infrared materials that we tune jointly. We show through experiment and theory that a plasmonic-excitonic design using gold nanoshells with optimized single particle scattering-to-absorption cross-section ratios leads to a strong enhancement in near-field absorption and a resultant 35% enhancement in photocurrent in the performance-limiting near-infrared spectral region. © 2013 American Chemical Society.

  5. Quasiparticle and excitonic gaps of one-dimensional carbon chains.

    Science.gov (United States)

    Mostaani, E; Monserrat, B; Drummond, N D; Lambert, C J

    2016-06-01

    We report diffusion quantum Monte Carlo (DMC) calculations of the quasiparticle and excitonic gaps of hydrogen-terminated oligoynes and extended polyyne. The electronic gaps are found to be very sensitive to the atomic structure in these systems. We have therefore optimised the geometry of polyyne by directly minimising the DMC energy with respect to the lattice constant and the Peierls-induced carbon-carbon bond-length alternation. We find the bond-length alternation of polyyne to be 0.136(2) Å and the excitonic and quasiparticle gaps to be 3.30(7) and 3.4(1) eV, respectively. The DMC zone-centre longitudinal optical phonon frequency of polyyne is 2084(5) cm(-1), which is consistent with Raman spectroscopic measurements for large oligoynes.

  6. Excitonic condensation for the surface states of topological insulator bilayers

    International Nuclear Information System (INIS)

    Wang Zhigang; Fu Zhenguo; Zhang Ping; Hao Ningning

    2012-01-01

    We propose a generic topological insulator bilayer (TIB) system to study the excitonic condensation with self-consistent mean-field (SCMF) theory. We show that the TIB system presents the crossover behavior from the Bardeen-Cooper-Schrieffer (BCS) limit to the Bose-Einstein condensation (BEC) limit. Moreover, in comparison with traditional semiconductor systems, we find that for the present system the superfluid property in the BEC phase is more sensitive to electron-hole density imbalance and the BCS phase is more robust. Applying this TIB model to the Bi 2 Se 3 -family material, we find that the BEC phase is most likely to be observed in experiment. We also calculate the critical temperature for the Bi 2 Se 3 -family TIB system, which is ∼100 K. More interestingly, one can expect this relative high-temperature excitonic condensation, since our calculated SCMF critical temperature is approximately equal to the Kosterlitz-Thouless transition temperature. (paper)

  7. Organic photovoltaic cell incorporating electron conducting exciton blocking layers

    Science.gov (United States)

    Forrest, Stephen R.; Lassiter, Brian E.

    2014-08-26

    The present disclosure relates to photosensitive optoelectronic devices including a compound blocking layer located between an acceptor material and a cathode, the compound blocking layer including: at least one electron conducting material, and at least one wide-gap electron conducting exciton blocking layer. For example, 3,4,9,10 perylenetetracarboxylic bisbenzimidazole (PTCBI) and 1,4,5,8-napthalene-tetracarboxylic-dianhydride (NTCDA) function as electron conducting and exciton blocking layers when interposed between the acceptor layer and cathode. Both materials serve as efficient electron conductors, leading to a fill factor as high as 0.70. By using an NTCDA/PTCBI compound blocking layer structure increased power conversion efficiency is achieved, compared to an analogous device using a conventional blocking layers shown to conduct electrons via damage-induced midgap states.

  8. Exciton distribution function and secondary radiation in polar semiconductors

    International Nuclear Information System (INIS)

    Trallero Giner, C.; Sotolongo Costa, O.

    1985-07-01

    An explicit non-equilibrium distribution function for excitons in the ground state n=1 in the case when the fundamental interaction is with acoustical phonons is calculated for polar semiconductors. Using it, a general expression for the secondary radiation cross-section (valid for Raman, hot and thermalized luminescence processes), is obtained. The results are applied to explain the temperature dependence of the 1LO and 2LO luminescence lines half-width in CdS single crystals. The relative contributions of 3LO Raman and luminescence intensities and the variation of the secondary emission spectrum as function of exciton life-time are studied. Comparison with experimental results yields quantitative agreement. (author)

  9. Geometrical-confinement effects on excitons in quantum disks

    International Nuclear Information System (INIS)

    Song, J.; Ulloa, S.E.

    1995-01-01

    Excitons confined to flat semiconductor quantum dots with elliptical cross sections are considered as we study geometrical effects on exciton binding energy, electron-hole separation, and the resulting linear optical properties. We use numerical matrix diagonalization techniques with appropriately large and optimized basis sets in an effective-mass Hamiltonian approach. The linear optical susceptibilities of GaAs and InAs dots for several different size ratios are discussed and compared to experimental photoluminescence spectra obtained on GaAs/Al x Ga 1-x As and InAs/GaAs quantum dots. For quantum dots of several nm in size, there is a strong blueshift of the luminescence due to geometrical-confinement effects. Also, transition peaks are split and shifted towards higher energy, in comparison with dots with circular cross sections

  10. Vibrational Stability of NLC Linac and Final Focus Components

    Energy Technology Data Exchange (ETDEWEB)

    Le Pimpec, Frederic

    2002-09-25

    Vertical vibration of linac components (accelerating structures, girders and quadrupoles) in the NLC has been studied experimentally and analytically. Effects such as structural resonances and vibration caused by cooling water both in accelerating structure and quadrupoles have been considered. Experimental data has been compared with analytical predictions and simulations using ANSYS. Design to properly decouple the structure vibrations from the linac quadrupoles is being pursued.

  11. Nonlinear spectroscopy of excitons and biexcitons in ZnS

    International Nuclear Information System (INIS)

    Pavlov, L.I.; Paskov, P.P.; Lalov, I.J.

    1989-01-01

    Four- photon spectroscopy on exciton and biexciton states in ZnS is reported at T = 10 K. The Nd:YAG laser is used as a fundamental source in the experimental setup. Second harmonic radiation ω 2 pumps the dye laser of ω 1 tunable frequency. The ZnS single crystal is placed in an optical cryostat for resonant spectroscopy at low temperature. Four-photon mixing ω 3 = 2ω 1 -ω 2 signal is separated by MDR-23 monochromator and is registered by a laser photometer. The hexagonal ZnS crystal is experimentally investigated when the waves ω 1 and ω 2 propagate colinear with the optical axis. The crystal is cut along the (1120) plane. The photon 2ℎω 1 energy scans over the range 3.895-3.940 eV. The dispersion of I 3 (ω 3 ) upon 2ℎω 1 is obtained. Three resonances are registered E M = 3.8964, E B 1 = 3.9010 and E B 2 = 3.9311 eV. The recorded low temperature resonance in dispersion of nonlinearity χ (3) are identified with B 1 s and B 2 s excitons as well as with biexciton in ZnS which is observed for the first time in this crystal. An experimental dependence of the signal I 3 (ω 3 ) intensity upon the pump I 1 (ω 1 ) is obtained. The E M resonance is saturated with the I 1 (ω 1 ) enhancement while the E B 1 resonance increases. Authors explain such a behaviour by the fact that the recombination probability of the biexcitons to excitons increases with the pump level growth. Estimations for the exciton density and the bounding energy are given. (author)

  12. Exciton diffusion coefficient measurement in ZnO nanowires under electron beam irradiation

    Science.gov (United States)

    Donatini, Fabrice; Pernot, Julien

    2018-03-01

    In semiconductor nanowires (NWs) the exciton diffusion coefficient can be determined using a scanning electron microscope fitted with a cathodoluminescence system. High spatial and temporal resolution cathodoluminescence experiments are needed to measure independently the exciton diffusion length and lifetime in single NWs. However, both diffusion length and lifetime can be affected by the electron beam bombardment during observation and measurement. Thus, in this work the exciton lifetime in a ZnO NW is measured versus the electron beam dose (EBD) via a time-resolved cathodoluminescence experiment with a temporal resolution of 50 ps. The behavior of the measured exciton lifetime is consistent with our recent work on the EBD dependence of the exciton diffusion length in similar NWs investigated under comparable SEM conditions. Combining the two results, the exciton diffusion coefficient in ZnO is determined at room temperature and is found constant over the full span of EBD.

  13. Exciton spectra of mixed LiH1-xDx crystals

    International Nuclear Information System (INIS)

    Plekhanov, V.G.

    1989-01-01

    The results of low-tempertaure experimental investigation of exciton spectra of pure surface of mixed crystals LiH 1-x d x forming the continuous series of a solved solution are presented. The long-wave reflection spectra is formed, as in pure crystals, by excitons of a large radius. The developed structure of spectra of exciton luminiscence consisting mainly of LO-lines, testifies to the intraband Frelich mechanism of free exciton scattering by LO-phonos, playing the considerable role in renormalization of the exciton Rydberg and the energy of interband transitions. Increase of the concentration of deuterium in mixed crystals causes a short-wave shift in the reflection spectrum and luminescence and continuous decrease of LO-phonon energy together with the increase of Rydberg exciton

  14. Harmonic Quantum Coherence of Multiple Excitons in PbS/CdS Core-Shell Nanocrystals

    Science.gov (United States)

    Tahara, Hirokazu; Sakamoto, Masanori; Teranishi, Toshiharu; Kanemitsu, Yoshihiko

    2017-12-01

    The generation and recombination dynamics of multiple excitons in nanocrystals (NCs) have attracted much attention from the viewpoints of fundamental physics and device applications. However, the quantum coherence of multiple exciton states in NCs still remains unclear due to a lack of experimental support. Here, we report the first observation of harmonic dipole oscillations in PbS/CdS core-shell NCs using a phase-locked interference detection method for transient absorption. From the ultrafast coherent dynamics and excitation-photon-fluence dependence of the oscillations, we found that multiple excitons cause the harmonic dipole oscillations with ω , 2 ω , and 3 ω oscillations, even though the excitation pulse energy is set to the exciton resonance frequency, ω . This observation is closely related to the quantum coherence of multiple exciton states in NCs, providing important insights into multiple exciton generation mechanisms.

  15. Direct determination of exciton wavefunction amplitudes by the momentum-resolved photo-electron emission experiment

    Science.gov (United States)

    Ohnishi, Hiromasa; Tomita, Norikazu; Nasu, Keiichiro

    2018-03-01

    We study conceptional problems of a photo-electron emission (PEE) process from a free exciton in insulating crystals. In this PEE process, only the electron constituting the exciton is suddenly emitted out of the crystal, while the hole constituting the exciton is still left inside and forced to be recoiled back to its original valence band. This recoil on the hole is surely reflected in the spectrum of the PEE with a statistical distribution along the momentum-energy curve of the valence band. This distribution is nothing but the square of the exciton wavefunction amplitude, since it shows how the electron and the hole are originally bound together. Thus, the momentum-resolved PEE can directly determine the exciton wavefunction. These problems are clarified, taking the Γ and the saddle point excitons in GaAs, as typical examples. New PEE experiments are also suggested.

  16. Some evidence for the high density phase of excitons in CdS

    International Nuclear Information System (INIS)

    Rueckmann, I.; May, V.; Voigt, J.

    1980-01-01

    Reflection spectra without and with additional pumping are measured in CdS at 1.8 and 77 K, respectively, starting from very low pump intensities. At low pump intensities a special behaviour of the reflection minimum is found indicating the importance of an exciton dead layer. The experimental spectra up to the highest pump intensities can be fitted very well taking into account spatial dispersion, exciton dead layer, and density dependent excitonic parameters. Polarizability, damping, and layer thickness change continuously in the whole range of excitation intensities. On the other side, the transverse dielectric function of a high density gas of interacting 1s excitons is calculated. A comparison between theoretically and experimentally obtained excitonic parameters at different densities shows good agreement. Hence, the importance of many-exciton interaction for the reflection spectra up to vanishing at highest pump intensities is concluded. (author)

  17. Theory for electric dipole superconductivity with an application for bilayer excitons.

    Science.gov (United States)

    Jiang, Qing-Dong; Bao, Zhi-qiang; Sun, Qing-Feng; Xie, X C

    2015-07-08

    Exciton superfluid is a macroscopic quantum phenomenon in which large quantities of excitons undergo the Bose-Einstein condensation. Recently, exciton superfluid has been widely studied in various bilayer systems. However, experimental measurements only provide indirect evidence for the existence of exciton superfluid. In this article, by viewing the exciton in a bilayer system as an electric dipole, we derive the London-type and Ginzburg-Landau-type equations for the electric dipole superconductors. By using these equations, we discover the Meissner-type effect and the electric dipole current Josephson effect. These effects can provide direct evidence for the formation of the exciton superfluid state in bilayer systems and pave new ways to drive an electric dipole current.

  18. 14th International Conference on Acoustics and Vibration of Mechanical Structures

    CERN Document Server

    Marinca, Vasile

    2018-01-01

    This book is a collection of papers presented at Acoustics and Vibration of Mechanical Structures 2017 – AVMS 2017 – highlighting the current trends and state-of-the-art developments in the field. It covers a broad range of topics, such as noise and vibration control, noise and vibration generation and propagation, the effects of noise and vibration, condition monitoring and vibration testing, modeling, prediction and simulation of noise and vibration, environmental and occupational noise and vibration, noise and vibration attenuators, as well as biomechanics and bioacoustics. The book also presents analytical, numerical and experimental techniques for evaluating linear and non-linear noise and vibration problems (including strong nonlinearity). It is primarily intended for academics, researchers and professionals, as well as PhD students in various fields of the acoustics and vibration of mechanical structures.

  19. Excitons in conjugated polymers: Do we need a paradigma change?

    Energy Technology Data Exchange (ETDEWEB)

    Beenken, Wichard J.D. [Department of Theoretical Physics I, Ilmenau University of Thechnology (Germany)

    2009-12-15

    We have previously shown that both, polymer conformation and dynamics are crucial for the exciton transport in conjugated polymers. Thereby we found that the usual Foerster-type hopping transfer model - even if one applies the line-dipole approximation - falls short in one crucial aspect: the nature of the sites the excitons are transferred between is still unclear. We found that the simple model of spectroscopic units defined as segments of the polymer chains separated by structural defects breaking the {pi}-conjugation is only justified for chemical defects like hydrogenated double bonds, or extreme gauche (90 ) torsions between the monomers. Both defects are far too rare in a well-prepared conjugated polymer to explain the mean spectroscopic-unit length of typically 6-7 monomers. Meanwhile, also the concept of dynamical formation of the spectroscopic units, we had previously suggested, has also failed. Thus the question of a paradigma change concerning the exciton transport in conjugated polymers appears on the agenda. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  20. Photoluminescence and Confinement of Excitons in Disordered Porous Films

    Energy Technology Data Exchange (ETDEWEB)

    Bondar, N. V., E-mail: jbond@iop.kiev.ua; Brodin, M. S. [National Academy of Sciences of Ukraine, Institute of Physics (Ukraine); Brodin, A. M. [National Technical University of Ukraine “KPI” (Ukraine); Matveevskaya, N. A. [National Academy of Sciences of Ukraine, Institute for Single Crystals (Ukraine)

    2016-03-15

    The exciton confinement effect in quantum dots at the surface of SiO{sub 2} spheres and the percolation phase transition in films based on a mixture of pure SiO{sub 2} spheres and spheres covered by CdS quantum dots (SiO{sub 2}/CdS nanoparticles) are studied. It is found that, due to the high surface energy of spheres, the quantum dots deposited onto their surface are distorted, which modifies the exciton confinement effect: the effect is retained only in one direction, the direction normal to the surface of the spheres. As a result, the energy of the exciton ground state exhibits a complex dependence on both the quantum-dot radius and sphere size. In the optical spectra of films based on this mixture, the clustering of small-sized nanoparticles and then, at a critical concentration of nanoparticles of ~60%, the formation of a percolation cluster are detected for the first time. The critical concentration is twice higher than the corresponding quantity given by the model of geometrical “colored percolation”, which is a consequence of interaction between submicrometer nanoparticles. The relation between the basic parameters of the percolation transition, such as the film porosity, coordination number, and the quantity defining the number of particles in the percolation cluster, is obtained and analyzed.

  1. Bandshapes in vibrational spectroscopy

    International Nuclear Information System (INIS)

    Dijkman, F.G.

    1978-01-01

    A detailed account is given of the development of modern bandshape theories since 1965. An investigation into the relative contributions of statistical irreversible relaxation processes is described, for a series of molecules in which gradually the length of one molecular axis is increased. An investigation into the theoretical and experimental investigation of the broadening brought about by the effect of fluctuating intermolecular potentials on the vibrational frequency is also described. The effect of an intermolecular perturbative potential on anharmonic and Morse oscillators is discussed and the results are presented of a computation on the broadening of the vibrational band of some diatomic molecules in a rigid lattice type solvent. The broadening of the OH-stretching vibration in a number of aliphatic alcohols, the vibrational bandshapes of the acetylenic C-H stretching vibration and of the symmetric methyl stretching vibration are investigated. (Auth./ C.F.)

  2. Optical orientation and alignment of excitons in ensembles of inorganic perovskite nanocrystals

    OpenAIRE

    Nestoklon, M. O.; Goupalov, S. V.; Dzhioev, R. I.; Ken, O. S.; Korenev, V. L.; Kusrayev, Yu. G.; Sapega, V. F.; de Weerd, C.; Gomez, L.; Gregorkiewicz, T.; Lin, Junhao; Suenaga, Kazutomo; Fujiwara, Yasufumi; Matyushkin, L. B.; Yassievich, I. N.

    2018-01-01

    We demonstrate the optical orientation and alignment of excitons in a two-dimensional layer of CsPbI$_3$ perovskite nanocrystals prepared by colloidal synthesis and measure the anisotropic exchange splitting of exciton levels in the nanocrystals. From the experimental data at low temperature (2K), we obtain the average value of anisotropic splitting of bright exciton states of the order of 120{\\mu}eV. Our calculations demonstrate that there is a significant contribution to the splitting due t...

  3. Transfer vibration through spine

    OpenAIRE

    Benyovszky, Adam

    2012-01-01

    Transfer Vibration through Spine Abstract In the bachelor project we deal with the topic of Transfer Vibration through Spine. The problem of TVS is trying to be solved by the critical review method. We analyse some diagnostic methods and methods of treatment based on this principle. Close attention is paid to the method of Transfer Vibration through Spine that is being currently solved by The Research Institute of Thermomechanics in The Czech Academy of Sciences in cooperation with Faculty of...

  4. Spatial mapping of exciton lifetimes in single ZnO nanowires

    Directory of Open Access Journals (Sweden)

    J. S. Reparaz

    2013-07-01

    Full Text Available We investigate the spatial dependence of the exciton lifetimes in single ZnO nanowires. We have found that the free exciton and bound exciton lifetimes exhibit a maximum at the center of nanowires, while they decrease by 30% towards the tips. This dependence is explained by considering the cavity-like properties of the nanowires in combination with the Purcell effect. We show that the lifetime of the bound-excitons scales with the localization energy to the power of 3/2, which validates the model of Rashba and Gurgenishvili at the nanoscale.

  5. Singlet Exciton Lifetimes in Conjugated Polymer Films for Organic Solar Cells

    KAUST Repository

    Dimitrov, Stoichko

    2016-01-13

    The lifetime of singlet excitons in conjugated polymer films is a key factor taken into account during organic solar cell device optimization. It determines the singlet exciton diffusion lengths in polymer films and has a direct impact on the photocurrent generation by organic solar cell devices. However, very little is known about the material properties controlling the lifetimes of singlet excitons, with most of our knowledge originating from studies of small organic molecules. Herein, we provide a brief summary of the nature of the excited states in conjugated polymer films and then present an analysis of the singlet exciton lifetimes of 16 semiconducting polymers. The exciton lifetimes of seven of the studied polymers were measured using ultrafast transient absorption spectroscopy and compared to the lifetimes of seven of the most common photoactive polymers found in the literature. A plot of the logarithm of the rate of exciton decay vs. the polymer optical bandgap reveals a medium correlation between lifetime and bandgap, thus suggesting that the Energy Gap Law may be valid for these systems. This therefore suggests that small bandgap polymers can suffer from short exciton lifetimes, which may limit their performance in organic solar cell devices. In addition, the impact of film crystallinity on the exciton lifetime was assessed for a small bandgap diketopyrrolopyrrole co-polymer. It is observed that the increase of polymer film crystallinity leads to reduction in exciton lifetime and optical bandgap again in agreement with the Energy Gap Law.

  6. Radiative recombination process of high density excitons in CdS crystals

    Energy Technology Data Exchange (ETDEWEB)

    Dneprovskij, V.S.; Klimov, V.I.; Martynenko, E.D.; Stadnik, V.A.

    1983-11-01

    The behaviour of the P-, E-, L- and Q-lines of luminescence in CdS is compared with calculated results for the processes of exciton-exciton scattering, exciton-electron scattering, annihilation of equilibrium electron-hole fluid (EHF), annihilation of electron-hole plasma (processes of amplification and reabsorption are taken into account). The comparison permitted to determine parameters of high density exciton gas and EHF. Spectral-kinetic properties of generation are investigated, and amplification factor in CdS is estimated.

  7. Phosphorescence as a probe of exciton formation and energy transfer in organic light emitting diodes

    International Nuclear Information System (INIS)

    Baldo, M.; Segal, M.

    2004-01-01

    The development of highly efficient phosphorescent molecules has approximately quadrupled the quantum efficiency of organic light emitting devices (OLEDs). By harnessing triplet as well as singlet excitons, efficient molecular phosphorescence has also enabled novel studies of exciton physics in organic semiconductors. In this review, we will summarize recent progress in understanding exciton formation and energy transfer using phosphorescent molecular probes. Particular emphasis is given to two topics of current interest: energy transfer in blue phosphorescent OLEDs, and quantifying the formation ratio of singlet to triplet excitons in small-molecular weight materials and polymers. (orig.)

  8. Exciton binding energy in GaAsBiN spherical quantum dot heterostructures

    Science.gov (United States)

    Das, Subhasis; Dhar, S.

    2017-03-01

    The ground state exciton binding energies (EBE) of heavy hole excitons in GaAs1-x-yBixNy - GaAs spherical quantum dots (QD) are calculated using a variational approach under 1s hydrogenic wavefunctions within the framework of effective mass approximation. Both the nitrogen and the bismuth content in the material are found to affect the binding energy, in particular for larger nitrogen content and lower dot radii. Calculations also show that the ground state exciton binding energies of heavy holes increase more at smaller dot sizes as compared to that for the light hole excitons.

  9. Multicomponent exciton gas in cuprous oxide: cooling behaviour and the role of Auger decay

    Science.gov (United States)

    Semkat, D.; Sobkowiak, S.; Schöne, F.; Stolz, H.; Koch, Th; Fehske, H.

    2017-10-01

    In this paper we present a hydrodynamic model to describe the dynamics of para- and orthoexcitons in cuprous oxide at ultralow temperatures inside a stress induced potential trap. We take into account the finite lifetime of the excitons, the excitation process and exciton-phonon as well as exciton-exciton interaction. Furthermore, we model the two-body loss mechanism assuming an Auger-like effect and compare it to an alternative explanation which relies on the formation of biexcitons. We discuss in detail the influence on the numerical results and compare the predictions to experimental data.

  10. The excitonic insulator route through a dynamical phase transition induced by an optical pulse

    Energy Technology Data Exchange (ETDEWEB)

    Brazovskii, S., E-mail: brazov@lptms.u-psud.fr [Université Paris-Saclay, LPTMS, CNRS, Univ. Paris-sud (France); Kirova, N. [Université Paris-Saclay, LPS, CNRS, Univ. Paris-sud (France)

    2016-03-15

    We consider a dynamical phase transition induced by a short optical pulse in a system prone to thermodynamical instability. We address the case of pumping to excitons whose density contributes directly to the order parameter. To describe both thermodynamic and dynamic effects on equal footing, we adopt a view of the excitonic insulator for the phase transition and suggest a formation of the Bose condensate for the pumped excitons. The work is motivated by experiments in donor–acceptor organic compounds with a neutral- ionic phase transition coupled to the spontaneous lattice dimerization and to charge transfer excitons. The double nature of the ensemble of excitons leads to an intricate time evolution, in particular, to macroscopic quantum oscillations from the interference between the Bose condensate of excitons and the ground state of the excitonic insulator. The coupling of excitons and the order parameter also leads to self-trapping of their wave function, akin to self-focusing in optics. The locally enhanced density of excitons can surpass a critical value to trigger the phase transformation, even if the mean density is below the required threshold. The system is stratified in domains that evolve through dynamical phase transitions and sequences of merging. The new circumstances in experiments and theory bring to life, once again, some remarkable inventions made by L.V. Keldysh.

  11. Coherent detection of THz-induced sideband emission from excitons in the nonperturbative regime

    Science.gov (United States)

    Uchida, K.; Otobe, T.; Mochizuki, T.; Kim, C.; Yoshita, M.; Tanaka, K.; Akiyama, H.; Pfeiffer, L. N.; West, K. W.; Hirori, H.

    2018-04-01

    Strong interaction of a terahertz (THz) wave with excitons induces nonperturbative optical effects such as Rabi splitting and high-order sideband generation. Here, we investigated coherent properties of THz-induced sideband emissions from GaAs/AlGaAs multiquantum wells. With increasing THz electric field, optical susceptibility of the THz-dressed exciton shows a redshift with spectral broadening and extraordinary phase shift. This implies that the field ionization of the 1 s exciton modifies the THz-dressed exciton in the nonperturbative regime.

  12. Plasmonic Structure Enhanced Exciton Generation at the Interface between the Perovskite Absorber and Copper Nanoparticles

    Science.gov (United States)

    Lin, Kuen-Feng; Chiang, Chien-Hung; Wu, Chun-Guey

    2014-01-01

    The refractive index and extinction coefficient of a triiodide perovskite absorber (TPA) were obtained by fitting the transmittance spectra of TPA/PEDOT:PSS/ITO/glass using the transfer matrix method. Cu nanoplasmonic structures were designed to enhance the exciton generation in the TPA and to simultaneously reduce the film thickness of the TPA. Excitons were effectively generated at the interface between TPA and Cu nanoparticles, as observed through the 3D finite-difference time-domain method. The exciton distribution is advantageous for the exciton dissociation and carrier transport. PMID:25295290

  13. Direct observation of free-exciton thermalization in quantum-well structures

    DEFF Research Database (Denmark)

    Umlauff, M.; Hoffmann, J.; Kalt, H.

    1998-01-01

    We report on a direct observation of free-exciton thermalization in quantum-well structures. A narrow energy distribution of free 1s excitons is created in ZnSe-based quantum wells by emission of one LO phonon after optical excitation of the continuum stales with picosecond laser pulses. The subs......We report on a direct observation of free-exciton thermalization in quantum-well structures. A narrow energy distribution of free 1s excitons is created in ZnSe-based quantum wells by emission of one LO phonon after optical excitation of the continuum stales with picosecond laser pulses...

  14. A modal-based approach to the nonlinear vibration of strings against a unilateral obstacle: Simulations and experiments in the pointwise case

    Science.gov (United States)

    Issanchou, Clara; Bilbao, Stefan; Le Carrou, Jean-Loïc; Touzé, Cyril; Doaré, Olivier

    2017-04-01

    This article is concerned with the vibration of a stiff linear string in the presence of a rigid obstacle. A numerical method for unilateral and arbitrary-shaped obstacles is developed, based on a modal approach in order to take into account the frequency dependence of losses in strings. The contact force of the barrier interaction is treated using a penalty approach, while a conservative scheme is derived for time integration, in order to ensure long-term numerical stability. In this way, the linear behaviour of the string when not in contact with the barrier can be controlled via a mode by mode fitting, so that the model is particularly well suited for comparisons with experiments. An experimental configuration is used with a point obstacle either centered or near an extremity of the string. In this latter case, such a pointwise obstruction approximates the end condition found in the tanpura, an Indian stringed instrument. The second polarisation of the string is also analysed and included in the model. Numerical results are compared against experiments, showing good accuracy over a long time scale.

  15. Fluidelastic instability of a tube bundle preferentially flexible in the flow direction to simulate u-bend in-plane vibration

    International Nuclear Information System (INIS)

    Pettigrew, M.; Violette, R.; Mureithi, N.

    2006-01-01

    Almost all the available data about fluidelastic instability of heat exchanger tube bundles concerns tubes that are axisymetrically flexible. In those cases, the instability is found to be mostly in the direction transverse to the flow. Thus, the direction parallel to the flow has raised less concern in terms of bundle stability. However, the flat bar supports used in steam generators for preventing U-tubes vibration may not be as effective in the in-plane direction as in the out-of-plane direction. The possibility that fluidelastic instability can develop in the flow direction must then be assessed. In the present work, tests were done to study the fluidelastic instability of a cluster of seven tubes much more flexible in the flow direction than in the lift direction. The array configuration is rotated triangular with a pitch to diameter ratio of 1.5. The array was subjected to two-phase (air-water) cross flow. Well-defined fluidelastic instabilities were observed albeit at somewhat higher flow velocities than for axisymetrically flexible tubes. This so far unknown phenomenon may be of concern if some supports become ineffective in the in-plane direction. (author)

  16. Magnetic field effect on the energy levels of an exciton in a GaAs quantum dot: Application for excitonic lasers.

    Science.gov (United States)

    Jahan, K Luhluh; Boda, A; Shankar, I V; Raju, Ch Narasimha; Chatterjee, Ashok

    2018-03-22

    The problem of an exciton trapped in a Gaussian quantum dot (QD) of GaAs is studied in both two and three dimensions in the presence of an external magnetic field using the Ritz variational method, the 1/N expansion method and the shifted 1/N expansion method. The ground state energy and the binding energy of the exciton are obtained as a function of the quantum dot size, confinement strength and the magnetic field and compared with those available in the literature. While the variational method gives the upper bound to the ground state energy, the 1/N expansion method gives the lower bound. The results obtained from the shifted 1/N expansion method are shown to match very well with those obtained from the exact diagonalization technique. The variation of the exciton size and the oscillator strength of the exciton are also studied as a function of the size of the quantum dot. The excited states of the exciton are computed using the shifted 1/N expansion method and it is suggested that a given number of stable excitonic bound states can be realized in a quantum dot by tuning the quantum dot parameters. This can open up the possibility of having quantum dot lasers using excitonic states.

  17. Interfacial instabilities in vibrated fluids

    Science.gov (United States)

    Porter, Jeff; Laverón-Simavilla, Ana; Tinao Perez-Miravete, Ignacio; Fernandez Fraile, Jose Javier

    2016-07-01

    that leads to splitting (fluid separation). We investigate the interaction of these prominent interfacial instabilities in the absence of gravity, concentrating on harmonically vibrated rectangular containers of fluid. We compare vibroequilibria theory with direct numerical simulations and consider the effect of surfaces waves, which can excite sloshing motion of the vibroequilibria. We systematically investigate the saddle-node bifurcation experienced by a symmetric singly connected vibroequilibria solution, for sufficiently deep containers, as forcing is increased. Beyond this instability, the fluid rapidly separates into (at least) two distinct masses. Pronounced hysteresis is associated with this transition, even in the presence of gravity. The interaction of vibroequilibria and frozen waves is investigated in two-fluid systems. Preparations for a parabolic flight experiment on fluids vibrated at high frequencies are discussed.

  18. Mechanical vibration and shock analysis, sinusoidal vibration

    CERN Document Server

    Lalanne, Christian

    2014-01-01

    Everything engineers need to know about mechanical vibration and shock...in one authoritative reference work! This fully updated and revised 3rd edition addresses the entire field of mechanical vibration and shock as one of the most important types of load and stress applied to structures, machines and components in the real world. Examples include everything from the regular and predictable loads applied to turbines, motors or helicopters by the spinning of their constituent parts to the ability of buildings to withstand damage from wind loads or explosions, and the need for cars to m

  19. Hydroelastic Vibrations of Ships

    DEFF Research Database (Denmark)

    Jensen, Jørgen Juncher; Folsø, Rasmus

    2002-01-01

    A formula for the necessary hull girder bending stiffness required to avoid serious springing vibrations is derived. The expression takes into account the zero crossing period of the waves, the ship speed and main dimensions. For whipping vibrations the probability of exceedance for the combined...

  20. Surface vibrational spectroscopy

    International Nuclear Information System (INIS)

    Erskine, J.L.

    1984-01-01

    A brief review of recent studies which combine measurements of surface vibrational energies with lattice dynamical calculations is presented. These results suggest that surface vibrational spectroscopy offers interesting prospects for use as a molecular-level probe of surface geometry, adsorbate bond distances and molecular orientations

  1. Gearbox vibration diagnostic analyzer

    Science.gov (United States)

    1992-01-01

    This report describes the Gearbox Vibration Diagnostic Analyzer installed in the NASA Lewis Research Center's 500 HP Helicopter Transmission Test Stand to monitor gearbox testing. The vibration of the gearbox is analyzed using diagnostic algorithms to calculate a parameter indicating damaged components.

  2. Handbook Of Noise And Vibration

    International Nuclear Information System (INIS)

    1995-12-01

    This book is about noise and vibration. The first chapter has explanations of noise such as basic of sound, influence of noise, assessment of noise, measurement of prevention of noise and technology, case of noise measurement and soundproof. The second chapter describes vibration with outline, theory of vibration, interpretation of vibration, measurement for reduction of vibration, case of design of protection against vibration. It deals with related regulation and method of measurement.

  3. Quantum Monte Carlo for vibrating molecules

    International Nuclear Information System (INIS)

    Brown, W.R.; Lawrence Berkeley National Lab., CA

    1996-08-01

    Quantum Monte Carlo (QMC) has successfully computed the total electronic energies of atoms and molecules. The main goal of this work is to use correlation function quantum Monte Carlo (CFQMC) to compute the vibrational state energies of molecules given a potential energy surface (PES). In CFQMC, an ensemble of random walkers simulate the diffusion and branching processes of the imaginary-time time dependent Schroedinger equation in order to evaluate the matrix elements. The program QMCVIB was written to perform multi-state VMC and CFQMC calculations and employed for several calculations of the H 2 O and C 3 vibrational states, using 7 PES's, 3 trial wavefunction forms, two methods of non-linear basis function parameter optimization, and on both serial and parallel computers. In order to construct accurate trial wavefunctions different wavefunctions forms were required for H 2 O and C 3 . In order to construct accurate trial wavefunctions for C 3 , the non-linear parameters were optimized with respect to the sum of the energies of several low-lying vibrational states. In order to stabilize the statistical error estimates for C 3 the Monte Carlo data was collected into blocks. Accurate vibrational state energies were computed using both serial and parallel QMCVIB programs. Comparison of vibrational state energies computed from the three C 3 PES's suggested that a non-linear equilibrium geometry PES is the most accurate and that discrete potential representations may be used to conveniently determine vibrational state energies

  4. Frequency adjustable MEMS vibration energy harvester

    Science.gov (United States)

    Podder, P.; Constantinou, P.; Amann, A.; Roy, S.

    2016-10-01

    Ambient mechanical vibrations offer an attractive solution for powering the wireless sensor nodes of the emerging “Internet-of-Things”. However, the wide-ranging variability of the ambient vibration frequencies pose a significant challenge to the efficient transduction of vibration into usable electrical energy. This work reports the development of a MEMS electromagnetic vibration energy harvester where the resonance frequency of the oscillator can be adjusted or tuned to adapt to the ambient vibrational frequency. Micro-fabricated silicon spring and double layer planar micro-coils along with sintered NdFeB micro-magnets are used to construct the electromagnetic transduction mechanism. Furthermore, another NdFeB magnet is adjustably assembled to induce variable magnetic interaction with the transducing magnet, leading to significant change in the spring stiffness and resonance frequency. Finite element analysis and numerical simulations exhibit substantial frequency tuning range (25% of natural resonance frequency) by appropriate adjustment of the repulsive magnetic interaction between the tuning and transducing magnet pair. This demonstrated method of frequency adjustment or tuning have potential applications in other MEMS vibration energy harvesters and micromechanical oscillators.

  5. Frequency adjustable MEMS vibration energy harvester

    International Nuclear Information System (INIS)

    Podder, P; Constantinou, P; Roy, S; Amann, A

    2016-01-01

    Ambient mechanical vibrations offer an attractive solution for powering the wireless sensor nodes of the emerging “Internet-of-Things”. However, the wide-ranging variability of the ambient vibration frequencies pose a significant challenge to the efficient transduction of vibration into usable electrical energy. This work reports the development of a MEMS electromagnetic vibration energy harvester where the resonance frequency of the oscillator can be adjusted or tuned to adapt to the ambient vibrational frequency. Micro-fabricated silicon spring and double layer planar micro-coils along with sintered NdFeB micro-magnets are used to construct the electromagnetic transduction mechanism. Furthermore, another NdFeB magnet is adjustably assembled to induce variable magnetic interaction with the transducing magnet, leading to significant change in the spring stiffness and resonance frequency. Finite element analysis and numerical simulations exhibit substantial frequency tuning range (25% of natural resonance frequency) by appropriate adjustment of the repulsive magnetic interaction between the tuning and transducing magnet pair. This demonstrated method of frequency adjustment or tuning have potential applications in other MEMS vibration energy harvesters and micromechanical oscillators. (paper)

  6. CRBRP flow induced vibration program

    Energy Technology Data Exchange (ETDEWEB)

    Novendstern, E H [Westinghouse Advanced Reactor Division, Madison, PA (United States); Grochowski, F A; Yang, T M [General Electric Co., Fast Breeder Reactor Department, Sunnyvale, CA (United States); Ryan, J A; Mulcahy, T M

    1977-12-01

    The program to assure the structural adequacy of Clinch River Breeder Reactor (CRBRP) components during its planned 30 years of operation is described. The program includes (1) an assessment of reactor components relative to their susceptibility to FIV, (2) designing to minimize component excitation due to Fluid induced vibrations (FIV), (3) scale model tests to measure structural response during simulated operating conditions and (4) preoperational tests. An overview of the CRBRP test program is described. Additionally, details of scale model testing of reactor internals and the steam generator is described in more detail. (author)

  7. Vibration insensitive interferometry

    Science.gov (United States)

    Millerd, James; Brock, Neal; Hayes, John; Kimbrough, Brad; North-Morris, Michael; Wyant, James C.

    2017-11-01

    The largest limitation of phase-shifting interferometry for optical testing is the sensitivity to the environment, both vibration and air turbulence. An interferometer using temporal phase-shifting is very sensitive to vibration because the various phase shifted frames of interferometric data are taken at different times and vibration causes the phase shifts between the data frames to be different from what is desired. Vibration effects can be reduced by taking all the phase shifted frames simultaneously and turbulence effects can be reduced by averaging many measurements. There are several techniques for simultaneously obtaining several phase-shifted interferograms and this paper will discuss two such techniques: 1) Simultaneous phase-shifting interferometry on a single detector array (PhaseCam) and 2) Micropolarizer phase-shifting array. The application of these techniques for the testing of large optical components, measurement of vibrational modes, the phasing of segmented optical components, and the measurement of deformations of large diffuse structures is described.

  8. Vibrations of rotating machinery

    CERN Document Server

    Matsushita, Osami; Kanki, Hiroshi; Kobayashi, Masao; Keogh, Patrick

    2017-01-01

    This book opens with an explanation of the vibrations of a single degree-of-freedom (dof) system for all beginners. Subsequently, vibration analysis of multi-dof systems is explained by modal analysis. Mode synthesis modeling is then introduced for system reduction, which aids understanding in a simplified manner of how complicated rotors behave. Rotor balancing techniques are offered for rigid and flexible rotors through several examples. Consideration of gyroscopic influences on the rotordynamics is then provided and vibration evaluation of a rotor-bearing system is emphasized in terms of forward and backward whirl rotor motions through eigenvalue (natural frequency and damping ratio) analysis. In addition to these rotordynamics concerning rotating shaft vibration measured in a stationary reference frame, blade vibrations are analyzed with Coriolis forces expressed in a rotating reference frame. Other phenomena that may be assessed in stationary and rotating reference frames include stability characteristic...

  9. Simultaneous monitoring of singlet and triplet exciton variations in solid organic semiconductors driven by an external static magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Baofu, E-mail: b.ding@ecu.edu.au; Alameh, Kamal, E-mail: k.alameh@ecu.edu.au [Electron Science Research Institute, Edith Cowan University, 270 Joondalup Drive, Joondalup, WA 6027 (Australia)

    2014-07-07

    The research field of organic spintronics has remarkably and rapidly become a promising research area for delivering a range of high-performance devices, such as magnetic-field sensors, spin valves, and magnetically modulated organic light emitting devices (OLEDs). Plenty of microscopic physical and chemical models based on exciton or charge interactions have been proposed to explain organic magneto-optoelectronic phenomena. However, the simultaneous observation of singlet- and triplet-exciton variations in an external magnetic field is still unfeasible, preventing a thorough theoretical description of the spin dynamics in organic semiconductors. Here, we show that we can simultaneously observe variations of singlet excitons and triplet excitons in an external magnetic field, by designing an OLED structure employing a singlet-exciton filtering and detection layer in conjunction with a separate triplet-exciton detection layer. This OLED structure enables the observation of a Lorentzian and a non-Lorentzian line-shape magnetoresponse for singlet excitons and triplet excitons, respectively.

  10. Simultaneous monitoring of singlet and triplet exciton variations in solid organic semiconductors driven by an external static magnetic field

    International Nuclear Information System (INIS)

    Ding, Baofu; Alameh, Kamal

    2014-01-01

    The research field of organic spintronics has remarkably and rapidly become a promising research area for delivering a range of high-performance devices, such as magnetic-field sensors, spin valves, and magnetically modulated organic light emitting devices (OLEDs). Plenty of microscopic physical and chemical models based on exciton or charge interactions have been proposed to explain organic magneto-optoelectronic phenomena. However, the simultaneous observation of singlet- and triplet-exciton variations in an external magnetic field is still unfeasible, preventing a thorough theoretical description of the spin dynamics in organic semiconductors. Here, we show that we can simultaneously observe variations of singlet excitons and triplet excitons in an external magnetic field, by designing an OLED structure employing a singlet-exciton filtering and detection layer in conjunction with a separate triplet-exciton detection layer. This OLED structure enables the observation of a Lorentzian and a non-Lorentzian line-shape magnetoresponse for singlet excitons and triplet excitons, respectively.

  11. Collective State of Interwell Excitons in GaAs/AlGaAs Double Quantum Wells under Pulse Resonance Excitation

    DEFF Research Database (Denmark)

    Larionov, A. V.; Timofeev, V. B.; Hvam, Jørn Märcher

    2002-01-01

    , and a significant increase in the radiative decay rate of the condensed phase. The collective exciton phase arises at temperatures T properties of the collective phase of interwell excitons and experimental manifestations of this coherence...

  12. THz-SAR Vibrating Target Imaging via the Bayesian Method

    Directory of Open Access Journals (Sweden)

    Bin Deng

    2017-01-01

    Full Text Available Target vibration bears important information for target recognition, and terahertz, due to significant micro-Doppler effects, has strong advantages for remotely sensing vibrations. In this paper, the imaging characteristics of vibrating targets with THz-SAR are at first analyzed. An improved algorithm based on an excellent Bayesian approach, that is, the expansion-compression variance-component (ExCoV method, has been proposed for reconstructing scattering coefficients of vibrating targets, which provides more robust and efficient initialization and overcomes the deficiencies of sidelobes as well as artifacts arising from the traditional correlation method. A real vibration measurement experiment of idle cars was performed to validate the range model. Simulated SAR data of vibrating targets and a tank model in a real background in 220 GHz show good performance at low SNR. Rapidly evolving high-power terahertz devices will offer viable THz-SAR application at a distance of several kilometers.

  13. Nonsynchronous vibrations observed in a supercritical power transmission shaft

    Science.gov (United States)

    Darlow, M. S.; Zorzi, E. S.

    1979-01-01

    A flexible shaft is prone to a number of vibration phenomena which occur at frequencies other than synchronous with rotational speed. Nonsynchronous vibrations from several sources were observed while running a test rig designed to simulate the operation of a supercritical power transmission shaft. The test rig was run first with very light external damping and then with a higher level of external damping, for comparison. As a result, the effect of external damping on the nonsynchronous vibrations of the test rig was observed. All of these nonsynchronous vibrations were of significant amplitude. Their presence in the vibrations spectra for a supercritical power transmission shaft at various speeds in the operating range indicates that very careful attention to all of the vibration spectra should be made in any supercritical power transmission shafting. This paper presents a review of the analysis performed and a comparison with experimental data. A thorough discussion of the observed nonsynchronous whirl is also provided.

  14. Vibrational spectra for hydrogenated amorphous semiconductors

    International Nuclear Information System (INIS)

    Kamitakahara, W.A.; Bouchard, A.M.; Biswas, R.; Gompf, F.; Suck, J.B.

    1990-01-01

    Hydrogen vibration spectra have been measured by neutron scattering for several amorphous semiconductor materials, including a-Ge:H and a-SiC:H samples containing about 10 at. % H. The data for a-Ge:H are compared in detail with the results of realistic computer simulations

  15. Crystalline Nanoporous Frameworks: a Nanolaboratory for Probing Excitonic Device Concepts.

    Energy Technology Data Exchange (ETDEWEB)

    Allendorf, Mark D.; Azoulay, Jason; Ford, Alexandra Caroline; Foster, Michael E.; El Gabaly Marquez, Farid; Leonard, Francois Leonard; Leong-Hau, Kirsty; Stavila, Vitalie; Talin, Albert Alec; Wong, Brian M.; Brumbach, Michael T.; Van Gough, D.; Lambert, Timothy N.; Rodriguez, Mark A.; Spoerke, Erik David; Wheeler, David Roger; Deaton, Joseph C.; Centrone, Andrea; Haney, Paul; Kinney, R.; Szalai, Veronika; Yoon, Heayoung P.

    2014-09-01

    Electro-optical organic materials hold great promise for the development of high-efficiency devices based on exciton formation and dissociation, such as organic photovoltaics (OPV) and organic light-emitting devices (OLEDs). However, the external quantum efficiency (EQE) of both OPV and OLEDs must be improved to make these technologies economical. Efficiency rolloff in OLEDs and inability to control morphology at key OPV interfaces both reduce EQE. Only by creating materials that allow manipulation and control of the intimate assembly and communication between various nanoscale excitonic components can we hope to first understand and then engineer the system to allow these materials to reach their potential. The aims of this proposal are to: 1) develop a paradigm-changing platform for probing excitonic processes composed of Crystalline Nanoporous Frameworks (CNFs) infiltrated with secondary materials (such as a complimentary semiconductor); 2) use them to probe fundamental aspects of excitonic processes; and 3) create prototype OPVs and OLEDs using infiltrated CNF as active device components. These functional platforms will allow detailed control of key interactions at the nanoscale, overcoming the disorder and limited synthetic control inherent in conventional organic materials. CNFs are revolutionary inorganic-organic hybrid materials boasting unmatched synthetic flexibility that allow tuning of chemical, geometric, electrical, and light absorption/generation properties. For example, bandgap engineering is feasible and polyaromatic linkers provide tunable photon antennae; rigid 1-5 nm pores provide an oriented, intimate host for triplet emitters (to improve light emission in OLEDs) or secondary semiconducting polymers (creating a charge-separation interface in OPV). These atomically engineered, ordered structures will enable critical fundamental questions to be answered concerning charge transport, nanoscale interfaces, and exciton behavior that are inaccessible

  16. Room-Temperature Exciton Lasing in Ultrathin Film of Coupled Nanocrystals

    International Nuclear Information System (INIS)

    Appavoo, Kannatassen; Xiaoze, Liu; Menon, Vinod; Sfeir, Matthew Y.

    2015-01-01

    We demonstrate exciton lasing in sub-wavelength coupled nanostructures at ultralow fluence threshold, as probed by femtosecond broadband emission and absorption spectroscopy. The complex spectrotemporal dynamics reveal for the first time an excitonic-to-electron-hole plasma lasing mechanism.

  17. Excitonic and electron-hole mechanisms of the creation of Frenkel defect in alkali halides

    International Nuclear Information System (INIS)

    Lushchik, A.; Kirm, M.; Lushchik, Ch.; Vasil'chenko, E.

    2000-01-01

    Excitonic and electron-hole (e-h) mechanisms of stable F centre creation by VUV radiation in alkali halide crystals are discussed. In KCl at 4.2 K, the efficiency of stable F-H pair creation is especially high at the direct optical formation of triplet excitons with n=1. At 200-400 K, the creation processes of stable F centres in KCl are especially efficient at the formation of one-halide exciton in the Urbach tail of an exciton absorption. In KCl and KBr, the decay of a cation exciton (∼20 eV) causes the formation of two e-h pairs, while in NaCl a cation exciton (33.5 eV) decays into two e-h and an anion exciton. An elastic uniaxial stress of a crystal excited by VUV radiation decreases the mean free path of excitons before their self-trapping (KI) and increases the mean free path of hot holes before self-trapping (NaCl)

  18. Fermi-edge exciton-polaritons in doped semiconductor microcavities with finite hole mass

    Science.gov (United States)

    Pimenov, Dimitri; von Delft, Jan; Glazman, Leonid; Goldstein, Moshe

    2017-10-01

    The coupling between a 2D semiconductor quantum well and an optical cavity gives rise to combined light-matter excitations, the exciton-polaritons. These were usually measured when the conduction band is empty, making the single polariton physics a simple single-body problem. The situation is dramatically different in the presence of a finite conduction-band population, where the creation or annihilation of a single exciton involves a many-body shakeup of the Fermi sea. Recent experiments in this regime revealed a strong modification of the exciton-polariton spectrum. Previous theoretical studies concerned with nonzero Fermi energy mostly relied on the approximation of an immobile valence-band hole with infinite mass, which is appropriate for low-mobility samples only; for high-mobility samples, one needs to consider a mobile hole with large but finite mass. To bridge this gap, we present an analytical diagrammatic approach and tackle a model with short-ranged (screened) electron-hole interaction, studying it in two complementary regimes. We find that the finite hole mass has opposite effects on the exciton-polariton spectra in the two regimes: in the first, where the Fermi energy is much smaller than the exciton binding energy, excitonic features are enhanced by the finite mass. In the second regime, where the Fermi energy is much larger than the exciton binding energy, finite mass effects cut off the excitonic features in the polariton spectra, in qualitative agreement with recent experiments.

  19. Pool-Frenkel thermoelectric modulation of exciton photoluminescence in GaSe crystals

    International Nuclear Information System (INIS)

    Ertap, H.; Mamedov, G.M.; Karabulut, M.; Bacioglu, A.

    2011-01-01

    Effect of external field on the exciton photoluminescence of GaSe crystals has been investigated and it has been observed that the PL is quenched with the applied field. The changes observed in the PL spectra have been analyzed with impact exciton, Franz-Keldysh and Pool-Frenkel effects. From the analyses of the experimental data, it has been found that the intensity of direct free, indirect free and bound exciton peaks decreased exponentially with the square root of applied field as I∼exp-β√E. The energy positions of emission peaks were found to shift to longer wavelength with the applied field as ΔE∼β√E. From these findings, the Pool-Frenkel thermoelectric field effect is seen to be the dominant mechanism in the variation of exciton PL with the applied field even though the impact exciton and Franz-Keldysh effects contribute. - Highlights: → Exciton PL intensity varies with the applied field. It decreases with the square root of E in accordance with Pool-Frenkel effect. → In the intrinsic region of PL spectrum, lines belonging to direct and indirect free/bound excitons were observed. → Line positions shifted to longer wavelengths with the applied field. → It was shown that amplitude modulation of exciton PL with electric field was possible.

  20. Thermalization of Hot Free Excitons in ZnSe-Based Quantum Wells

    DEFF Research Database (Denmark)

    Hoffmann, J.; Umlauff, M.; Kalt, H.

    1997-01-01

    Thermalization of hot-exciton populations in ZnSe quantum wells occurs on a time scale of 100 ps. Strong exciton-phonon coupling in II-VI semiconductors leads to a direct access to the thermalization dynamics via time-resolved spectroscopy of phonon-assisted luminescence. The experimental spectra...

  1. Collective Behavior of a Spin-Aligned Gas of Interwell Excitons in Double Quantum Wells

    DEFF Research Database (Denmark)

    Larionov, A. V.; Bayer, M.; Hvam, Jørn Märcher

    2005-01-01

    The kinetics of a spin-aligned gas of interwell excitons in GaAs/AlGaAs double quantum wells (n–i–n heterostructure) is studied. The temperature dependence of the spin relaxation time for excitons, in which a photoexcited electron and hole are spatially separated between two adjacent quantum wells...

  2. Preequilibrium decay in the exciton model for nuclear potential with a finite depth

    International Nuclear Information System (INIS)

    Bogila, Ye.A.; Kolomiets, V.M.; Sanzhur, A.I.; Shlomo, S.

    1995-01-01

    The spectra of preequilibrium particles, taking into account the energy dependence of the single-particle level density, are calculated using the particle-hole (exciton) level density. We demonstrate the significant effect of the finite depth of the potential well (continuum effect) on partial emission spectra for configurations with a small exciton number

  3. Coherent dynamics of interwell excitons in GaAs/AlxGa1-xAs superlattices

    DEFF Research Database (Denmark)

    Mizeikis, V.; Birkedal, Dan; Langbein, Wolfgang Werner

    1997-01-01

    Coherent exciton dynamics in a GaAs/AlxGa1-xAs narrow-miniband superlattice is studied by spectrally resolved transient four-wave mixing. Coherent optical properties of the investigated structure are found to be strongly affected by the existence of two different heavy-hole excitonic states. One...

  4. Ultrafast dynamics of confined and localised excitons and biexcitons in low-dimensional semiconductors

    DEFF Research Database (Denmark)

    Hvam, Jørn Märcher; Langbein, Wolfgang; Borri, Paola

    1999-01-01

    Coherent optical spectroscopy in the form of nonlinear transient four-wave mixing (TFWM) and linear resonant Rayleigh scattering (RRS) has been applied to investigate the exciton dynamics of low-dimensional semiconductor heterostructures. The dephasing times of excitons are determined from...

  5. Exciton Scattering approach for conjugated macromolecules: from electronic spectra to electron-phonon coupling

    Science.gov (United States)

    Tretiak, Sergei

    2014-03-01

    The exciton scattering (ES) technique is a multiscale approach developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, the electronic excitations in the molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph. The exciton propagation on the linear segments is characterized by the exciton dispersion, whereas the exciton scattering on the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized ``particle in a box'' problems on the graph that represents the molecule. All parameters can be extracted from quantum-chemical computations of small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within considered molecular family could be performed with negligible numerical effort. The exciton scattering properties of molecular vertices can be further described by tight-binding or equivalently lattice models. The on-site energies and hopping constants are obtained from the exciton dispersion and scattering matrices. Such tight-binding model approach is particularly useful to describe the exciton-phonon coupling, energetic disorder and incoherent energy transfer in large branched conjugated molecules. Overall the ES applications accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

  6. Continuum contribution to excitonic four-wave mixing due to interaction-induced nonlinearities

    DEFF Research Database (Denmark)

    Birkedal, Dan; Vadim, Lyssenko; Hvam, Jørn Märcher

    1996-01-01

    We present an experimental and theoretical investigation of ultrafast transient four-wave mixing of GaAs/AlxGa1-xAs quantum wells for coherent excitation of exciton and continuum states. The signal appears at the exciton resonance and is shown to consist of two contributions: an intense spectrall...

  7. Magneto-optical quantum interferences in a system of spinor excitons

    Science.gov (United States)

    Kuan, Wen-Hsuan; Gudmundsson, Vidar

    2018-04-01

    In this work we investigate magneto-optical properties of two-dimensional semiconductor quantum-ring excitons with Rashba and Dresselhaus spin-orbit interactions threaded by a magnetic flux perpendicular to the plane of the ring. By calculating the excitonic Aharonov-Bohm spectrum, we study the Coulomb and spin-orbit effects on the Aharonov-Bohm features. From the light-matter interactions of the excitons, we find that for scalar excitons, there are open channels for spontaneous recombination resulting in a bright photoluminescence spectrum, whereas the forbidden recombination of dipolar excitons results in a dark photoluminescence spectrum. We investigate the generation of persistent charge and spin currents. The exploration of spin orientations manifests that by adjusting the strength of the spin-orbit interactions, the exciton can be constructed as a squeezed complex with specific spin polarization. Moreover, a coherently moving dipolar exciton acquires a nontrivial dual Aharonov-Casher phase, creating the possibility to generate persistent dipole currents and spin dipole currents. Our study reveals that in the presence of certain spin-orbit generated fields, the manipulation of the magnetic field provides a potential application for quantum-ring spinor excitons to be utilized in nano-scaled magneto-optical switches.

  8. Finite Element Analysis and Experimental Study on Elbow Vibration Transmission Characteristics

    Science.gov (United States)

    Qing-shan, Dai; Zhen-hai, Zhang; Shi-jian, Zhu

    2017-11-01

    Pipeline system vibration is one of the significant factors leading to the vibration and noise of vessel. Elbow is widely used in the pipeline system. However, the researches about vibration of elbow are little, and there is no systematic study. In this research, we firstly analysed the relationship between elbow vibration transmission characteristics and bending radius by ABAQUS finite element simulation. Then, we conducted the further vibration test to observe the vibration transmission characteristics of different elbows which have the same diameter and different bending radius under different flow velocity. The results of simulation calculation and experiment both showed that the vibration acceleration levels of the pipeline system decreased with the increase of bending radius of the elbow, which was beneficial to reduce the transmission of vibration in the pipeline system. The results could be used as reference for further studies and designs for the low noise installation of pipeline system.

  9. Femtosecond dynamics of excitons in π-conjugated oligomers: the role of intrachain two-exciton states in the formation of interchain species

    Science.gov (United States)

    Klimov, Victor I.; McBranch, Duncan W.; Barashkov, Nikolay N.; Ferraris, John P.

    1997-10-01

    We report femtosecond transient absorption results for solutions and thin films of a substituted oligomer of poly(para-phenylene vinylene) performed over wide spectral and pump-intensity ranges. Solutions and films exhibit a photoinduced absorption (PA) band with dynamics matching those of the stimulated emission, demonstrating unambiguously that these features originate from intrachain singlet excitons. Thin films exhibit an additional short-wavelength PA band with pump-independent dynamics, indicating the formation of non-emissive interchain excitons. Correlations in the dynamics of the two PA features, as well as the intensity-dependence, provide strong evidence that the formation of interchain excitons is mediated by intrachain two-exciton states.

  10. Coherent Exciton Dynamics in GaAs-Based Semiconductor Structures

    Science.gov (United States)

    Colocci, M.; Bogani, F.; Ceccherini, S.; Gurioli, M.

    We show that a very powerful tool in the investigation of the coherent exciton dynamics in semiconductors is provided by the study of the emitted light after resonant excitation from pairs of phase-locked femtosecond pulses. Under these conditions, not only the full dynamics of the coherent transients (dephasing times, quantum beat periods, etc.) can be obtained from linear experiments, but it can also be obtained a straightforward discrimination between the coherent or incoherent character of the emission by means of spectral filtering.

  11. Exciton and Hole-Transfer Dynamics in Polymer: Fullerene Blends

    Directory of Open Access Journals (Sweden)

    van Loosdrecht P. H. M.

    2013-03-01

    Full Text Available Ultrafast hole transfer dynamics from fullerene derivative to polymer in bulk heterojunction blends are studied with visible-pump - IR-probe spectroscopy. The hole transfer process is found to occur in 50/300 fs next to the interface, while a longer 15-ps time is attributed to exciton diffusion towards interface in PC71BM domains. High polaron generation efficiency in P3HT blends indicates excellent intercalation between the polymer and the fullerene even at highest PC71BM concentration thereby yielding a valuable information on the blend morphology.

  12. Polariton condensation with localized excitons and propagating photons

    International Nuclear Information System (INIS)

    Keeling, Jonathan; Eastham, P.R.; Szymanska, M.H.; Littlewood, P.B.

    2004-01-01

    We estimate the condensation temperature for microcavity polaritons, allowing for their internal structure. We consider polaritons formed from localized excitons in a planar microcavity, using a generalized Dicke model. At low densities, we find a condensation temperature T c ∝ρ, as expected for a gas of structureless polaritons. However, as T c becomes of the order of the Rabi splitting, the structure of the polaritons becomes relevant, and the condensation temperature is that of a BCS-like mean-field theory. We also calculate the excitation spectrum, which is related to observable quantities such as the luminescence and absorption spectra

  13. Defect production at exciton decay in ionic crystals

    International Nuclear Information System (INIS)

    Lushchik, Ch.B.

    1984-01-01

    On the example of alkali halide crystals experimentally detected phenomenon of structural point defect production in wide-gap nonmetallic solids at low-temperature radiationless decay of self-localizing excitons and recombination of electrons with self-localized holes is considered. Factors promoting radiationless transformation of electron excitations to not small oscillations of many atoms (heat release), but to separate ion large shifts, that determine one of the most important mechanisms of radiation instability of solids, used, in particular, for data recording, are discussed

  14. Trapping effects in exciton motion in the framework of CTRW

    International Nuclear Information System (INIS)

    Barvik, I.; Herman, P.

    1990-10-01

    Influence of a trap (sink) on an exciton transfer in molecular aggregates is investigated. Pausing time distribution functions φ p m (t) and probability densities Q mn (t) on the continuous time random walk theory are calculated from memory functions entering the generalized master equations. The presence of the sink changes their analytical form. We used trimmer as example to show that only for large trapping rates pausing time distribution functions become nonnegative. Only in this case they could be used in Monte Carlo modelling. (author). 14 refs, 2 figs

  15. Coherent spin dynamics of an interwell excitonic gas in GaAs/AlGaAs coupled quantum wells

    DEFF Research Database (Denmark)

    Larionov, A. V.; Bisti, V. E.; Bayer, M.

    2006-01-01

    The spin dynamics of an interwell exciton gas has been investigated in n-i-n GaAs/AlGaAs coupled quantum wells. The time evolution kinetics of the interwell exciton photoluminescence has been measured under resonant excitation of the 1s heavy-hole intrawell exciton, using a pulsed tunable laser...

  16. Efficient Exciton Diffusion and Resonance-Energy Transfer in Multi-Layered Organic Epitaxial Nanofibers

    DEFF Research Database (Denmark)

    Tavares, Luciana; Cadelano, Michele; Quochi, Francesco

    2015-01-01

    Multi-layered epitaxial nanofibers are exemplary model systems for the study of exciton dynamics and lasing in organic materials due to their well-defined morphology, high luminescence efficiencies, and color tunability. We resort to temperature-dependent cw and picosecond photoluminescence (PL......) spectroscopy to quantify exciton diffusion and resonance-energy transfer (RET) processes in multi-layered nanofibers consisting of alternating layers of para-hexaphenyl (p6P) and α-sexithiophene (6T), serving as exciton donor and acceptor material, respectively. The high probability for RET processes...... is confirmed by Quantum Chemical calculations. The activation energy for exciton diffusion in p6P is determined to be as low as 19 meV, proving p6P epitaxial layers also as a very suitable donor material system. The small activation energy for exciton diffusion of the p6P donor material, the inferred high p6P...

  17. Correlated lifetimes of free paraexcitons and excitons trapped at oxygen vacancies in cuprous oxide

    International Nuclear Information System (INIS)

    Koirala, Sandhaya; Naka, Nobuko; Tanaka, Koichiro

    2013-01-01

    We have studied transients of luminescence due to free excitons and excitons trapped at oxygen vacancies in cuprous oxide. We find that both trapped and free paraexcitons have lifetime dependent on temperature and on the oxygen concentration. By using samples containing much less copper vacancies relative to oxygen vacancies, we find out the direct correlation between the free paraexciton lifetime and trapped exciton lifetime. - Highlights: ► We have investigated trapping of free excitons at oxygen vacancies in cuprous oxide. ► Lifetimes of free and trapped excitons exhibit correlative temperature dependence. ► Four-level model with the activation energy of 33 meV well explains the observation. ► Comparison is made using the four samples with different vacancy concentrations. ► We clarified the crucial role of the oxygen vacancy in shortening the lifetimes.

  18. Excitons in semiconducting quantum filaments of CdS and CdSe with dielectric barriers

    CERN Document Server

    Dneprovskij, V S; Shalygina, O A; Lyaskovskij, V L; Mulyarov, E A; Gavrilov, S A; Masumoto, I

    2002-01-01

    The peculiarities of the luminescence spectra obtained by different polarization and intensity of the pumping excitation and luminescence kinetics of the CdS and CdSe nanocrystals are explained by the exciton transitions in the semiconducting quantum threads with dielectric barriers. The exciton transition energies correspond to the calculated ones with an account of both their dimensional quantization and the effect of the excitons dielectric intensification. It is shown that the excitons transition energies do not change by the change in the quantum threads diameter within the wide range, while the increase in the one-dimensional forbidden zone width of quantum thread by the decrease in its diameter is compensated through the decrease in the excitons binding energy

  19. Stark effect of excitons in corrugated lateral surface superlattices: effect of centre-of-mass quantization

    International Nuclear Information System (INIS)

    Hong Sun

    1998-11-01

    The quantum confined Stark effect (QCSE) of excitons in GaAs/AlAs corrugated lateral surface superlattices (CLSSLs) is calculated. Blue and red shifts in the exciton energies are predicted for the heavy- and light-excitons in the CLSSLs, respectively, comparing with those in the unmodulated quantum well due to the different effective hole masses in the parallel direction. Sensitive dependence of the QCSE on the hole effective mass in the parallel direction is expected because of the ''centre-of-mass'' quantization (CMQ) induced by the periodic corrugated interfaces of the CLSSLs. The effect of the CMQ on the exciton mini-bands and the localization of the excitons in the CLSSLs is discussed. (author)

  20. Charge separation in excitonic and bipolar solar cells - A detailed balance approach

    International Nuclear Information System (INIS)

    Kirchartz, Thomas; Rau, Uwe

    2008-01-01

    A generalized solar cell model for excitonic and classical, bipolar solar cells is developed that describes the combined transport and interaction of electrons, holes and excitons. Both, conventional inorganic solar cells as well as organic solar cells, where excitons play a dominant role for energy transport, turn out to be special cases of this model. Due to the inclusion of photon recycling effects, the approach is compatible with the principle of detailed balance and the Shockley-Queisser limit. We show how varying the interaction between excitons and charge carriers as well as varying the respective mobilities of the different species changes the operation mode of the solar cell path between excitonic and bipolar